14782 SMILES Strings for Potassium voltage-gated channel subfamily H member 2

Compound Name
SMILES String
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
CN(C1CCNCC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F |c:13|
[H][C@]1(C=C(CN1C(=O)N(C)C1CCN(CC1)C(C)=O)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
[H][C@]1(C=C(CN1C(=O)N(C)CCCN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
[H][C@]1(C=C(CN1C(=O)C(C)(C)CN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
[H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F |c:10|
[H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
[H][C@]1(C=C(CN1C(=O)[C@@H](NC(=O)OCCO)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
[H][C@]1(C=C(CN1C(=O)[C@@H](O)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6|
CN(C)CCC[C@]1(CN(N=C1C(C)=O)c1cc(C)ccc1F)c1ccccc1 |r,c:9|
CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |r,c:24|
C(Cc1ccc(Oc2nc3ccccc3s2)cc1)N1CCCCC1
OC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
O=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
CC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
CC(=O)OCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
C(N1CCCCC1)c1ccc(Oc2nc3ccccc3s2)cc1
OC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
NC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
O=C1OCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
CC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
CC(=O)OCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
OCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O
OC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
OCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
O=C1CCCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
O=C1OCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
CC(C)NCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)nc1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cncc(C)c1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncc(Cl)cc1Cl
Cc1c(CNC2CCCC2F)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl |r|
Cc1c(CNC2CCC(F)(F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl |r|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1C)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)C1(C)CCC(=O)CC1
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.28,wD:20.22,24.27,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.27,wD:20.22,24.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;5.96,-1.37,;7.45,-.23,;6.66,1.54,;5.83,2.84,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(CC)CC[C@@](C)(O)CC1 |r,wU:20.23,25.29,wD:20.22,25.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;6.37,4.44,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
CCOC(=O)N1CCC(C)(CC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1
CCN1CCN(CC1)c1cc2[nH]c(S[C@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,wD:14.14,18.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;5.48,2.82,;6.5,1.67,;6.01,.21,;4.51,-.1,;3.48,1.06,;7.04,-.94,;6.55,-2.4,;5.04,-2.71,;7.57,-3.56,;7.08,-5.02,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](C3)NC(=O)OC)nc2cc1Cl |r|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.04,-2.71,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.06,-2,;5.78,-3.74,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.75,-2.46,;8.11,-3.19,;9.22,-2.13,;8.56,-.74,;9.3,.61,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)C(=O)NC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;8.54,-.63,;9.57,-1.79,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)S(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.52,-.54,;5.7,-1.71,;7.81,-2.28,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnn(C)n3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.68,-2.44,;7.99,-3.24,;9.16,-2.24,;10.66,-2.6,;8.57,-.82,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnnn3C)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;7.99,-3.24,;6.68,-2.44,;5.25,-3.03,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nc(C)no3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;10.66,-2.6,;7.99,-3.24,;6.68,-2.44,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnco3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnc(C)o3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;10.67,-2.58,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
OC(=O)c1cc(Cl)ccc1Nc1nc2cc(Cl)ccc2o1
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Clc1ccc(Cn2c(\C=C\C3CCN(CC4CCCCC4)C3)nc3cc(Br)ccc23)cc1
CN1CCCC1\C=C\c1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1
Cc1cc2nc(\C=C\C3CCNC3)n(Cc3ccc(Cl)cc3)c2cc1C
Cc1cc2nc(CC3CCNCC3)n(Cc3ccc(Cl)cc3)c2cc1C
Cc1cc2nc(CC3CC4CCC(C3)N4)n(Cc3ccc(Cl)cc3)c2cc1C
CC1CC(Cc2nc3cc(C)c(C)cc3n2Cc2ccc(Cl)cc2)CCN1
CC(Cc1ccncc1)c1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1
Cc1cc2nc(CC3CCCNC3)n(Cc3ccc(Cl)cc3)c2cc1C
Cc1cc2nc(CC3CCCCC3)n(Cc3ccc(Cl)cc3)c2cc1C
CN1CCCC1CCc1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1
Cc1cc2nc(\C=C\c3cccs3)n(Cc3ccc(Cl)cc3)c2cc1C
C[C@H]1CCCN1Cc1nc2cc(C)ccc2n1Cc1ccc(Cl)cc1 |r|
C\C(=C/c1cccnc1)c1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1
Cc1cc2nc(COC3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C
Cc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C
Clc1ccc(Cn2c(nc3cc(Cl)c(Cl)cc23)-c2ccc(=O)[nH]c2)cc1Cl
Cc1cc2nc(\C=C\c3ccccc3)n(Cc3ccc(Cl)cc3)c2cc1C
c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4
Clc1ccc(Cn2c(CN3CCCC3=O)nc3ccccc23)cc1
COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)cc1
CS(=O)(=O)c1ccc2n(Cc3ccccc3)c(nc2c1)C(F)(F)F
Cc1cc2nc(CC3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C
OC[C@@H]1CCCN1Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 |r|
Cc1cc2nc(\C=C\c3ccco3)n(Cc3ccc(Cl)cc3)c2cc1C
COc1ccc2nc(CN3CCC[C@H]3CO)n(Cc3ccc(Cl)cc3)c2c1 |r|
OCc1nc2ccccc2n1Cc1ccc(Cl)cc1
Cc1ccc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2c1
COCc1cnn(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:28|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncnc1 |t:1|
CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 |c:16|
CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 |c:16|
NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCCC1)C21COC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26|
CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26|
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1 |c:27|
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1 |t:1|
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cc(Cl)cnc1F |t:1|
CC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C11COC1 |c:16|
NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1 |t:1|
COc1cccnc1Nc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
CC(C)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:23|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:15|
CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:24|
CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
CC1(C)Oc2ccc(cc2C2(CSC(N)=N2)C11COC1)-c1cncnc1 |c:15|
CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(c1)C1CC1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)F)c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)F)c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OC(F)F)c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]ccc2c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]cc(Cl)c2c1 |t:1|
CCc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:23|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)C(F)F)c1 |t:1|
COc1ccnc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
Cc1cn2ccc(cc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:31|
Cc1cn2cc(ccc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:31|
CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(CSC(N)=N3)c2c1 |c:25|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(F)c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1F |t:1|
COc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:28|
Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
Cc1cnnc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F |r,c:14|
C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 |r,c:14|
C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F |r,c:14|
C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 |r,c:14|
COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1 |r,c:25|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1F |c:15|
COc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:15|
NC1=NC2(CO1)c1cc(ccc1OC1(CCCC1)C21COC1)-c1cncnc1 |t:1|
CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:15|
NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1 |t:1|
CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:17|
CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:16|
CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:16|
NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21CCC1)-c1cncnc1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OC(CCC(F)(F)F)C3(COC3)C3(COC(N)=N3)c2c1 |c:31|
NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)(F)F |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CCC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(c(F)cc1OCC21CC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cccnc1F |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cc(Cl)cnc1F |t:1|
COc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:23|
CCOc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:24|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(Cl)c1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
CC#Cc1cncc(c1)-c1cc2c(OCC3(CC3)C22COC(N)=N2)cc1F |c:25|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C#N |t:1|
Cc1cnc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:28|
Cc1ncncc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)F |t:1|
COc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1F |c:15|
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 |t:1|
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26|
Cc1cc(cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1)C#N |c:25|
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(cc3Cl)C#N)ccc1OCC21CC1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:26|
Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:26|
Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1OCC21CC1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1 |c:27|
NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CS1 |t:1|
NC1=NC2(c3cccc(F)c13)c1cc(ccc1OCC21CC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:30|
NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CO1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC(F)(F)C1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc2ccccc12 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C(F)(F)F |t:1|
Cn1cc2cc(ccc2n1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:26|
NC1=NC2(COC1)c1cc(ccc1OCC21CC1)-c1cncnc1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26|
CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26|
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1 |r,c:29|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26|
CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26|
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1 |r,c:28|
CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:28|
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@]2(COC(N)=N2)C11COC1 |r,c:26|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccccc1 |r|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1cnc(OC)c(Cl)c1 |r|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(Cl)c1)C(F)(F)F |r|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(Cl)c(Cl)c1 |r|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(C#N)c(Cl)c1 |r|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(nc1)C(F)(F)F |r|
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ccc(cc1)C(F)(F)F |r|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(cc1)C(F)(F)F |r|
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ccc(nc1)C(F)(F)F |r|
CC[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ncccn1 |r|
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)n2CCOCc12)c1ccccc1 |r|
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccc(OC)nc2)n2CCOCc12)c1ccccc1 |r|
CCOC(=O)CNC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2COCCn12 |r|
CCOC(=O)[C@H](C)N(C)C(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2COCCn12 |r|
Fc1ccc(cc1)[C@@H](NC(=O)c1cc(C(=O)N2CCCC2)n2CCOCc12)C1CC1 |r|
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)n2CCOCc12)c1ccc(nc1)C(F)(F)F |r|
[H][C@@]12CCOC[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |t:8|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 |c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:5|
O[C@H](COc1ccc(O)cc1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
O[C@H](COc1ccc2[nH]c(=O)oc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 |r|
NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 |r|
O[C@H](COc1ccc2[nH]ncc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
O[C@H](COc1ccc2[nH]c(=O)ccc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
O[C@H](COc1ccc2[nH]c(=O)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
O[C@H](COc1ccc2NC(=O)Cc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
O[C@H](COc1ccc2[nH]c(=S)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
O[C@H](COc1ccc2NC(=O)CCc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Cc1cccc2CCCN(C(=O)CSc3ccc(cn3)C(F)(F)F)c12
Cc1cccc2CCCN(C(=O)CSc3ccc(Cl)cn3)c12
Cc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12
NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21COC1)-c1cncnc1 |t:1|
CN(C)CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(o1)-c1ccncc1)C(F)(F)F
FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1
NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12 |r|
NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 |r|
C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1
OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12
NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12 |r|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](C[C@H]2CNC(=N)N2)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC |r|
COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r,wU:4.3,wD:7.10,(-7.95,2.08,;-6.62,2.85,;-6.62,4.39,;-7.95,3.62,;-5.29,2.08,;-3.95,2.85,;-2.62,2.08,;-2.62,.54,;-3.95,-.23,;-5.29,.54,;-1.28,-.23,;.05,.54,;.05,2.08,;1.38,2.85,;2.72,2.08,;4.18,2.56,;5.09,1.31,;4.18,.07,;4.58,-1.42,;3.49,-2.51,;3.89,-4,;5.38,-4.39,;6.47,-3.31,;7.95,-3.7,;6.07,-1.82,;2.72,.54,;1.38,-.23,)|
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r,wU:1.0,wD:4.7,(-7.29,3.62,;-5.95,2.85,;-4.62,3.62,;-3.29,2.85,;-3.29,1.31,;-4.62,.54,;-5.95,1.31,;-1.95,.54,;-.62,1.31,;-.62,2.85,;.72,3.62,;2.05,2.85,;3.51,3.33,;4.42,2.08,;3.51,.84,;3.91,-.65,;2.82,-1.74,;3.22,-3.23,;4.71,-3.62,;5.8,-2.54,;7.29,-2.93,;5.4,-1.05,;2.05,1.31,;.72,.54,)|
CO[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1 |r,wU:2.1,wD:5.8,(-8.05,2.84,;-6.72,3.63,;-5.38,2.87,;-3.95,3.62,;-2.62,2.85,;-2.62,1.31,;-3.95,.54,;-5.29,1.31,;-1.28,.54,;.05,1.31,;.05,2.85,;1.38,3.62,;2.72,2.85,;4.18,3.33,;5.09,2.08,;4.18,.84,;4.58,-.65,;3.49,-1.74,;3.89,-3.23,;5.38,-3.62,;6.47,-2.54,;7.95,-2.93,;6.07,-1.05,;2.72,1.31,;1.38,.54,)|
Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:7.10,wD:4.3,(-8.7,2.48,;-7.36,3.25,;-7.36,4.79,;-8.7,4.02,;-6.03,2.48,;-6.03,.94,;-4.7,.17,;-3.36,.94,;-3.36,2.48,;-4.7,3.25,;-2.03,.17,;-.69,.94,;-.69,2.48,;.64,3.25,;1.97,2.48,;3.44,2.96,;4.34,1.71,;3.44,.47,;3.84,-1.02,;2.75,-2.11,;3.15,-3.6,;4.63,-4,;5.82,-2.9,;5.32,-1.42,;7.31,-3.28,;8.8,-3.66,;6.93,-4.77,;7.69,-1.79,;1.97,.94,;.64,.17,)|
C[C@]1(O)CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:5.8,1.0,wD:1.1,(-7.36,4.3,;-6.59,2.97,;-8.13,2.97,;-6.59,1.43,;-5.26,.66,;-3.93,1.43,;-3.93,2.97,;-5.26,3.74,;-2.59,.66,;-1.26,1.43,;-1.26,2.97,;.08,3.74,;1.41,2.97,;2.87,3.45,;3.78,2.2,;2.87,.96,;3.27,-.53,;2.18,-1.62,;2.58,-3.11,;4.07,-3.51,;5.25,-2.41,;4.76,-.93,;6.75,-2.79,;8.24,-3.17,;6.36,-4.28,;7.13,-1.3,;1.41,1.43,;.08,.66,)|
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:4.7,wD:1.0,(-8.03,4.02,;-6.7,3.25,;-6.7,1.71,;-5.36,.94,;-4.03,1.71,;-4.03,3.25,;-5.36,4.02,;-2.7,.94,;-1.36,1.71,;-1.36,3.25,;-.03,4.02,;1.31,3.25,;2.77,3.73,;3.68,2.48,;2.77,1.24,;3.17,-.25,;2.08,-1.34,;2.48,-2.83,;3.97,-3.23,;5.15,-2.13,;4.66,-.65,;6.64,-2.51,;8.14,-2.89,;6.26,-4,;7.03,-1.02,;1.31,1.71,;-.03,.94,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 |r,wU:7.10,wD:4.3,(-9.24,2.08,;-7.91,2.85,;-7.91,4.39,;-9.24,3.62,;-6.57,2.08,;-6.57,.54,;-5.24,-.23,;-3.91,.54,;-3.91,2.08,;-5.24,2.85,;-2.57,-.23,;-1.24,.54,;-1.24,2.08,;.09,2.85,;1.43,2.08,;2.89,2.56,;3.8,1.31,;2.89,.07,;3.29,-1.42,;2.2,-2.51,;2.6,-4,;4.09,-4.39,;5.23,-3.32,;6.72,-3.72,;7.81,-2.63,;8.9,-1.54,;8.9,-3.72,;6.72,-1.54,;4.78,-1.82,;1.43,.54,;.09,-.23,)|
C[C@]1(O)CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 |r,wU:1.1,wD:5.8,1.0,(-7.91,3.91,;-7.14,2.57,;-8.68,2.57,;-5.8,3.34,;-4.47,2.57,;-4.47,1.03,;-5.8,.26,;-7.14,1.03,;-3.14,.26,;-1.8,1.03,;-1.8,2.57,;-.47,3.34,;.86,2.57,;2.33,3.05,;3.23,1.8,;2.33,.56,;2.73,-.93,;1.64,-2.02,;2.04,-3.51,;3.52,-3.91,;4.67,-2.83,;6.15,-3.23,;7.24,-2.14,;8.33,-1.05,;8.33,-3.23,;6.15,-1.05,;4.22,-1.33,;.86,1.03,;-.47,.26,)|
CO[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 |r,wU:2.1,wD:5.8,(-9.3,2.86,;-7.96,3.63,;-6.63,2.86,;-5.25,3.6,;-3.91,2.83,;-3.91,1.29,;-5.25,.52,;-6.58,1.29,;-2.58,.52,;-1.25,1.29,;-1.25,2.83,;.09,3.6,;1.42,2.83,;2.89,3.31,;3.79,2.06,;2.89,.82,;3.28,-.67,;2.2,-1.76,;2.59,-3.25,;4.08,-3.65,;5.22,-2.57,;6.71,-2.97,;7.11,-4.46,;7.51,-5.94,;8.6,-4.06,;5.62,-4.86,;4.77,-1.07,;1.42,1.29,;.09,.52,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1 |r,wU:4.3,wD:7.10,(.73,-52.37,;1.51,-51.04,;-.05,-51.03,;1.52,-49.51,;2.84,-51.82,;4.18,-51.06,;5.51,-51.82,;5.5,-53.37,;4.18,-54.14,;2.84,-53.36,;6.84,-54.14,;8.17,-53.37,;8.17,-51.83,;9.5,-51.05,;10.83,-51.83,;12.29,-51.35,;13.2,-52.6,;12.29,-53.84,;13.05,-55.17,;12.26,-56.5,;13.02,-57.84,;14.56,-57.86,;15.34,-56.52,;16.88,-56.53,;14.58,-55.19,;10.83,-53.37,;9.5,-54.13,)|
O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1 |r,wU:1.0,wD:4.7,(12.63,-23.03,;13.97,-23.8,;15.3,-23.04,;16.63,-23.8,;16.63,-25.35,;15.3,-26.12,;13.97,-25.34,;17.96,-26.12,;19.3,-25.35,;19.3,-23.81,;20.63,-23.03,;21.95,-23.81,;23.42,-23.33,;24.33,-24.58,;23.42,-25.83,;24.18,-27.16,;23.39,-28.48,;24.15,-29.82,;25.69,-29.84,;26.47,-28.5,;25.71,-27.17,;28.01,-28.51,;28.77,-29.85,;28.79,-27.18,;29.55,-28.51,;21.95,-25.35,;20.63,-26.11,)|
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1 |r,wU:4.3,wD:7.10,(51,-26.01,;51.77,-24.69,;50.23,-24.68,;51.78,-23.15,;53.11,-25.47,;54.44,-24.7,;55.77,-25.47,;55.77,-27.01,;54.44,-27.78,;53.11,-27.01,;57.1,-27.78,;58.44,-27.01,;58.44,-25.47,;59.76,-24.69,;61.09,-25.47,;62.56,-24.99,;63.46,-26.24,;62.56,-27.49,;63.31,-28.82,;62.53,-30.15,;63.28,-31.49,;64.82,-31.5,;65.61,-30.17,;64.85,-28.83,;67.15,-30.18,;67.91,-31.51,;67.92,-28.85,;68.68,-30.17,;61.09,-27.01,;59.76,-27.77,)|
O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wU:1.0,wD:4.7,(50.22,-3.1,;51.55,-3.88,;52.88,-3.11,;54.21,-3.88,;54.21,-5.42,;52.88,-6.19,;51.55,-5.42,;55.54,-6.19,;56.88,-5.42,;56.88,-3.88,;58.21,-3.1,;59.54,-3.88,;61,-3.4,;61.91,-4.65,;61,-5.9,;61.76,-7.23,;60.97,-8.56,;61.73,-9.9,;63.27,-9.91,;64.05,-8.58,;65.59,-8.59,;66.35,-9.93,;67.89,-9.94,;65.57,-11.25,;67.03,-11.3,;63.29,-7.24,;59.54,-5.42,;58.21,-6.18,)|
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 |r,wU:4.7,wD:1.0,(-8.57,3.62,;-7.24,2.85,;-7.24,1.31,;-5.91,.54,;-4.57,1.31,;-4.57,2.85,;-5.91,3.62,;-3.24,.54,;-1.91,1.31,;-1.91,2.85,;-.57,3.62,;.76,2.85,;2.23,3.33,;3.13,2.08,;2.23,.84,;2.62,-.65,;1.54,-1.74,;1.93,-3.23,;3.42,-3.62,;4.56,-2.55,;6.05,-2.95,;7.14,-1.86,;8.23,-.77,;8.23,-2.95,;6.05,-.77,;4.11,-1.05,;.76,1.31,;-.57,.54,)|
FC(F)(F)Oc1cccc(c1)-c1cnc2ccc(NCC3CCS(=O)(=O)CC3)nn12
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
CCc1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(F)c1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(Cl)c1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1F |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F |r|
Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1 |r|
CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cccc(F)c1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cccc(Cl)c1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)cc(F)c1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F |r|
CC[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 |r|
CCC[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 |r|
COc1cccc(c1)C(=O)N1CCn2c(nnc2-c2nc(C)ns2)[C@H]1C |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C#N |r|
CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ncon4)CC3)c(Cl)cnc2[nH]1
Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1
Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Cc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N |r,t:3|
CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCO)C#N |r,t:3|
CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N |r,t:3|
CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3|
C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
FC(F)(F)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)c3)c3ccccc23)cc(cc1C(=O)NC1COC1)C(C)(C)C
CO[C@H]1CCC2(Cc3ccc(cc3C22N=C(N)N(CC3CCCO3)C2=O)C#N)CC1 |r,wD:2.1,t:16,(6.55,-1.05,;5.78,-2.39,;4.24,-2.39,;3.47,-1.05,;1.93,-1.05,;1.16,-2.39,;.25,-3.63,;-1.21,-3.16,;-2.55,-3.93,;-3.88,-3.16,;-3.88,-1.62,;-2.55,-.85,;-1.21,-1.62,;.25,-1.14,;-1.21,-.67,;-1.21,.87,;-2.55,1.64,;.25,1.35,;1.02,2.68,;2.56,2.68,;3.47,1.44,;4.93,1.91,;4.93,3.45,;3.47,3.93,;1.16,.1,;2.7,.1,;-5.21,-.85,;-6.55,-.08,;1.93,-3.72,;3.47,-3.72,)|
OC[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1 |r,wU:2.1,wD:5.8,(-8,2.88,;-6.67,3.65,;-5.33,2.88,;-3.95,3.62,;-2.62,2.85,;-2.62,1.31,;-3.95,.54,;-5.29,1.31,;-1.28,.54,;.05,1.31,;.05,2.85,;1.38,3.62,;2.72,2.85,;4.18,3.33,;5.09,2.08,;4.18,.84,;4.58,-.65,;3.49,-1.74,;3.89,-3.23,;5.38,-3.62,;6.47,-2.54,;7.95,-2.93,;6.07,-1.05,;2.72,1.31,;1.38,.54,)|
OC[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 |r,wU:2.1,wD:5.8,(-7.96,5.19,;-7.96,3.65,;-6.62,2.88,;-5.24,3.62,;-3.91,2.85,;-3.91,1.31,;-5.24,.54,;-6.57,1.31,;-2.57,.54,;-1.24,1.31,;-1.24,2.85,;.09,3.62,;1.43,2.85,;2.89,3.33,;3.8,2.08,;2.89,.84,;3.29,-.65,;2.2,-1.74,;2.6,-3.23,;4.09,-3.62,;5.23,-2.55,;6.72,-2.95,;7.81,-1.86,;8.9,-.77,;8.9,-2.95,;6.72,-.77,;4.78,-1.05,;1.43,1.31,;.09,.54,)|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(N)=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3F)[C@H]12)C(N)=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3C)[C@H]12)C(N)=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(c(C)n3)-c3ccccc3C#N)[C@H]12)C(N)=O |r|
C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12 |r|
C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc4OC(F)(F)Oc34)[C@H]12)C(N)=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12)C(N)=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)N1CC(C1)C(N)=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)N1CC(C1)C(N)=O |r|
C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12 |r|
C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r|
COc1ncccc1-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@]3(CC(N)=O)CC(F)(F)[C@H]2C)nc1 |r|
C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)NCC(N)=O |r|
COC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(O)C(N)=O |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(C)(C)C(N)=O |r|
Cc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |(4,-3.46,;4,-1.93,;5.33,-1.16,;5.33,.38,;6.67,1.15,;6.67,2.69,;5.33,3.46,;8,3.46,;9.34,2.69,;9.34,1.15,;8,.39,;8,-1.15,;4,1.15,;4,2.69,;2.67,.38,;1.33,1.15,;,.38,;,-1.16,;-1.33,-1.93,;-2.67,-1.16,;-4,-1.93,;-5.33,-1.16,;-5.33,.38,;-4,1.15,;-2.67,.38,;-6.67,1.15,;-8,.38,;-9.34,1.15,;-9.34,2.69,;-8,3.46,;-6.67,2.69,;1.33,-1.93,;2.67,-1.16,)|
Cc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1 |(-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.92,;4,.38,;4,1.93,;1.33,-2.69,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1CO |(-10,2.7,;-8.67,1.92,;-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;.67,-.39,;2,.38,;3.33,-.39,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;6,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;8.67,2.69,;10,1.92,;10,.38,;8.67,-.38,;8.67,-1.92,;4.67,.38,;4.67,1.92,;2,-2.7,;-2,-.39,;-3.33,.38,;-3.33,1.92,;-4.67,2.69,)|
CN1CCC(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10,2.7,;-8.67,1.92,;-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;.67,-.39,;2,.38,;3.33,-.39,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;6,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;8.67,2.69,;10,1.92,;10,.38,;8.67,-.38,;8.67,-1.92,;4.67,.38,;4.67,1.92,;2,-2.7,;-2,-.39,;-3.33,.38,)|
CN(C)CCc1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-8.67,1.93,;-8.67,.38,;-10,-.38,;-7.34,-.38,;-6,.38,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;8.67,2.69,;10,1.93,;10,.38,;8.67,-.38,;8.67,-1.92,;4.67,.38,;4.67,1.93,;2,-2.69,;-3.33,-2.69,;-4.67,-1.93,)|
COc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCN(C)CC1 |(-2,2.7,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;8.67,2.69,;10,1.93,;10,.38,;8.67,-.38,;8.67,-1.93,;4.67,.38,;4.67,1.93,;2,-2.69,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-8.67,.38,;-8.67,1.93,;-10,2.69,;-7.34,2.69,;-6,1.93,)|
COc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1 |(-2.67,2.7,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.93,;4,.38,;4,1.93,;1.33,-2.69,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10,2.69,;-8.67,1.93,;-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.93,;-7.34,2.69,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;8.67,2.69,;10,1.93,;10,.38,;8.67,-.38,;8.67,-1.93,;4.67,.38,;4.67,1.93,;2,-2.69,;-2,-.38,;-3.33,.38,)|
CNCCOc1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,.38,;-9.34,-.38,;-8,.38,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;1.33,-.38,;2.67,.38,;4,-.38,;4,-1.92,;5.33,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;8,1.92,;6.67,2.69,;9.34,2.69,;10.67,1.92,;10.67,.38,;9.34,-.38,;9.34,-1.92,;5.33,.38,;5.33,1.92,;2.67,-2.69,;-1.33,-.38,;-2.67,.38,)|
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,1.16,;-9.34,1.93,;-9.34,3.46,;-8,1.16,;-8,-.39,;-6.67,-1.16,;-5.33,-.39,;-5.33,1.16,;-6.67,1.93,;-4,-1.16,;-4,-2.69,;-2.67,-3.46,;-1.33,-2.69,;,-3.46,;1.33,-2.69,;1.33,-1.16,;2.67,-.39,;4,-1.16,;4,-2.69,;5.33,-3.46,;6.67,-2.69,;6.67,-1.16,;8,-.39,;8,1.16,;6.67,1.93,;9.34,1.93,;10.67,1.16,;10.67,-.39,;9.34,-1.16,;9.34,-2.69,;5.33,-.39,;5.33,1.16,;2.67,-3.46,;-1.33,-1.16,;-2.67,-.39,)|
OCc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1 |(-5.33,2.7,;-4,1.92,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;,-.39,;1.33,.38,;2.67,-.39,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;5.33,-.39,;6.67,.38,;6.67,1.92,;5.33,2.69,;8,2.69,;9.34,1.92,;9.34,.38,;8,-.39,;8,-1.93,;4,.38,;4,1.92,;1.33,-2.7,;-4,-2.7,;-5.33,-1.93,;-5.33,-.39,;-6.67,.38,;-8,-.39,;-9.34,.38,;-9.34,1.92,;-8,2.69,;-6.67,1.92,)|
Clc1cccc(Cl)c1-n1ccc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2c1=O |(5.33,2.69,;6.67,1.93,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.93,;6.67,.38,;5.33,-.38,;5.33,-1.93,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;4,1.93,)|
CNCc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCOCC1 |(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;6.67,3.08,;5.33,3.85,;8,3.85,;9.34,3.08,;9.34,1.54,;8,.77,;8,-.77,;4,1.54,;4,3.08,;1.33,-1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-6.67,3.08,)|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)[N+]#[C-] |r|
FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Fc1cc(Cl)cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Fc1cc(cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12)C(F)(F)F
Cc1n[nH]c2ncnc(NC3CCN(CC(F)(F)c4ccc(cn4)C(F)(F)F)CC3)c12
FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cn1
Cc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1cnc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Fc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
NC(=O)N1CCC(CC1)c1c(-c2ccc(N)nc2)n(-c2ccc(Cl)cc2)c2cnccc12
NC(=O)N1CCC(CC1)c1c(-c2cccnc2)n(-c2ccc(Cl)cc2)c2cnccc12
COc1cc(ccn1)-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
NC(=O)N1CCC(CC1)c1c(-c2ccc(nc2)N2CCOCC2)n(-c2ccc(Cl)cc2)c2cnccc12
NC(=O)N1CCC(CC1)c1c(-c2cncnc2)n(-c2ccc(Cl)cc2)c2cnccc12
NC(=O)N1CCC(CC1)c1c(-c2cc[nH]n2)n(-c2ccc(Cl)cc2)c2cnccc12
NC(=O)N1CCC(CC1)c1c(-c2cn[nH]c2)n(-c2ccc(Cl)cc2)c2cnccc12
Cn1nccc1-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1 |(2.61,2.11,;3.01,.62,;4.47,.15,;4.47,-1.39,;3.01,-1.87,;2.1,-.62,;.56,-.62,;-.34,.62,;.06,2.11,;1.54,2.51,;1.94,4,;.85,5.09,;-.63,4.69,;-1.03,3.2,;1.25,6.57,;2.74,6.97,;.16,7.66,;-1.81,.15,;-3.14,.92,;-4.47,.15,;-4.47,-1.39,;-3.14,-2.16,;-1.81,-1.39,;-.34,-1.87,;.43,-3.2,;-.66,-4.29,;-.26,-5.78,;1.23,-6.18,;1.62,-7.66,;2.31,-5.09,;1.92,-3.6,)|
Cn1cncc1-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1 |(2.24,-3.12,;3.01,-1.79,;4.47,-1.31,;4.47,.23,;3.01,.7,;2.1,-.54,;.56,-.54,;-.34,.7,;.06,2.19,;-1.03,3.28,;-.63,4.77,;.85,5.16,;1.94,4.08,;1.54,2.59,;1.25,6.65,;2.74,7.05,;.16,7.74,;-1.81,.23,;-3.14,1,;-4.47,.23,;-4.47,-1.31,;-3.14,-2.08,;-1.81,-1.31,;-.34,-1.79,;.06,-3.28,;-1.03,-4.37,;-.63,-5.85,;.85,-6.25,;1.25,-7.74,;1.94,-5.16,;1.54,-3.68,)|
NC(=O)N1CCC(CC1)c1c(-n2cccn2)n(-c2ccc(Cl)cc2)c2cnccc12
NC(=O)N1CCC(CC1)c1c(-n2ccnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Clc1ccc(cc1)-n1c(c(C2CCNCC2)c2ccncc12)-c1ccncc1
Nc1ccc(cn1)-c1c(C2CCNCC2)c2ccncc2n1-c1ccc(Cl)cc1
CN(C)Cc1c(-c2ccncc2)n(-c2ccc(Cl)cc2)c2cnccc12
Clc1ccc(cc1)-n1c(-c2nn[nH]n2)c(C2CCNCC2)c2ccncc12
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCO
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NC(=O)CO)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
CCOP(C)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1P(C)(O)=O
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(N(CCO)S(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC |r|
COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)cn1 |r|
COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@H](Cc1cccc(N)c1C)NC(=O)C(F)(F)F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ncc(NC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ccc(NC3CN(CCCF)C3)cn4)N5CC(F)F
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ccc(NC3CN(CCCF)C3)cc4)N5CC(F)(F)F
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ncc(NC3CN(CCCF)C3)cc4F)N5CC(F)(F)F
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ncc(NC3CN(CCCF)C3)cc4F)N5CC(F)(F)CO
C[C@@H]5Cc1c(ccc2[nH]nc(F)c12)[C@@H](c4ccc(NC3CN(CCCF)C3)cn4)N5CC(F)(F)F
C[C@@H]5Cc1c(ccc2[nH]nc(F)c12)[C@@H](c4ncc(NC3CN(CCCF)C3)cc4F)N5CC(F)(F)F
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
COc1cc(NC2CN(CCCF)C2)cnc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)nc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)c1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r|
FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)F)[C@@H](Cc2c1ccc1[nH]ncc21)C(F)F |r|
COc1cc(ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21)N(C)C1CN(CCCF)C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1cnc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(OC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n(C)n1
Cn1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
Cn1nccc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cn[nH]c2)c1
CCn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
FC(F)Oc1cc(ccc1Cl)-c1cnn(CCc2cn[nH]c2)c1
CCn1cc(CCn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
CCC(CC)n1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2ccn(n2)C2CCCC2)c1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)[nH]n1
CCc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n[nH]1
CCCc1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n[nH]1
Cc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
FC(F)Oc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Cn1cc(Cn2cc(cn2)-c2ccc(F)c(OC(F)F)c2)cn1
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(F)c(OC(F)F)c1
FC(F)Oc1cc(Cl)cc(c1)-c1cnn(Cc2cc[nH]n2)c1
Cc1cc(Cn2cc(cn2)-c2cccc(OC(F)(F)F)c2)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2cccc(OC(F)(F)F)c2)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)F)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)F)n(C)n1
FC(F)c1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(Cl)c(c1)C(F)F
FC(F)c1cc(Cl)cc(c1)-c1cnn(Cc2cc[nH]n2)c1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n1
Cc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n(C)n1
Cn1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)cn1
Cn1nccc1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
FC(F)c1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(F)c(c1)C(F)F
FC(F)c1cc(ccc1F)-c1cnn(CCc2cn[nH]c2)c1
CCn1ccc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n1
Cc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)[nH]n1
CCc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n[nH]1
CCCc1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(F)F)n[nH]1
Cc1[nH]ncc1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
CC(F)(F)c1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Cn1cc(Cn2cc(cn2)-c2ccc(F)c(c2)C(C)(F)F)cn1
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(F)c(c1)C(C)(F)F
FC(F)c1cc(F)cc(c1)-c1cnn(Cc2cc[nH]n2)c1
Cc1cc(Cn2cc(cn2)-c2cccc(c2)C(F)(F)F)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2cccc(c2)C(F)(F)F)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(cc2)C(F)(F)F)n1
Cc1cc(Cn2cc(cn2)-c2ccc(cc2)C(F)(F)F)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(C)c(F)c2)n(C)n1
Cc1ccc(cc1F)-c1cnn(Cc2ccn(C)n2)c1
Cc1cc(Cn2cc(cn2)-c2ccc(F)c(C)c2)n(C)n1
Cc1cc(ccc1F)-c1cnn(Cc2ccn(C)n2)c1
Cc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(C)c2)n(C)n1
Cc1cc(ccc1Cl)-c1cnn(Cc2ccn(C)n2)c1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(F)c2)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(F)c2)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(F)c(Cl)c2)n1
Cc1cc(Cn2cc(cn2)-c2ccc(F)c(Cl)c2)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(Cl)c2)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)c(Cl)c2)n(C)n1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)cc2Cl)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)cc2Cl)n1
COc1cc(F)ccc1-c1cnn(Cc2ccn(C)n2)c1
COc1cc(F)ccc1-c1cnn(Cc2cc(C)nn2C)c1
C(c1cc[nH]n1)n1cc(cn1)-c1cccc(c1)C1CC1
CS(=O)(=O)c1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
Cn1cc(Cn2cc(cn2)-c2cccc(c2)S(C)(=O)=O)cn1
FS(F)(F)(F)(F)c1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
Cc1n[nH]c(C)c1CCn1cc(cn1)-c1ccc(Cl)cc1
Cc1cc(Cn2cc(cn2)-c2ccc(Cl)cc2)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)cc2)n1
Cn1nccc1Cn1cc(cn1)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1cnn(Cc2cc[nH]n2)c1
Cn1cc(Cn2cc(cn2)-c2ccc(Cl)cc2)cn1
Cn1ccc(Cn2cc(cn2)-c2ccc(Br)cc2)n1
Cc1cc(Cn2cc(cn2)-c2cccc(Br)c2)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2cccc(Br)c2)n1
Cc1cc(Cn2cc(cn2)-c2cc(F)cc(F)c2)n(C)n1
Cn1ccc(Cn2cc(cn2)-c2cc(F)cc(F)c2)n1
Cn1ccc(Cn2cc(cn2)-c2ccccc2)n1
Cc1cc(Cn2cc(cn2)-c2ccccc2)n(C)n1
Cn1nccc1Cn1cc(cn1)-c1ccccc1
Cc1n[nH]c(C)c1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Cc1n[nH]c(C)c1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
Cc1n[nH]c(C)c1Cn1cc(cn1)-c1ccc(F)c(c1)C(C)(F)F
CCc1c[nH]nc1Cn1cc(cn1)-c1ccc(F)c(OC(F)F)c1
CCc1c[nH]nc1Cn1cc(cn1)-c1ccc(F)c(c1)C(F)F
CC(F)(F)c1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
FC(F)Oc1cccc(c1)-c1cnn(Cc2cc[nH]n2)c1
CCn1cncc1Cn1cc(cn1)-c1ccc(Cl)c(c1)C(F)F
CCn1cncc1Cn1cc(cn1)-c1ccc(F)c(C)c1
CCn1cncc1Cn1cc(cn1)-c1ccc(Cl)cc1
Cn1nccc1-n1cc(cn1)-c1ccc(Cl)c(Cl)c1
Cn1nccc1-n1cc(cn1)-c1ccc(F)c(Cl)c1
Clc1ccc(cc1)-c1cnn(Cc2cn3ccccc3n2)c1
FC(F)c1cc(ccc1F)-c1cnn(Cc2cc(Cn3ccc(n3)-c3ccc(F)c(c3)C(F)F)n[nH]2)c1
Cn1ccc(Cn2cc(cn2)-c2ccccn2)n1
Cc1cc(Cn2cc(cn2)-c2ccccn2)n(C)n1
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|
NC1=N[C@]2(COCC[C@H]2CS1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1|
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(n1)-c1cccc(F)c1
Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F)C(C)(C)C
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(n1)-c1cccc(c1)C(F)(F)F
COc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F)C(C)(C)C
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccnc1 |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1cccs1 |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1 |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccs1 |r,THB:8:9:16:12.13|
CCC1CCC(CC1)C(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)c1ccsc1 |r,wU:11.11,TLB:22:20:14:16.17,(-7.11,8.92,;-5.78,8.15,;-5.78,6.61,;-4.44,5.84,;-4.44,4.3,;-5.78,3.53,;-7.11,4.3,;-7.11,5.84,;-5.78,1.99,;-7.11,1.22,;-4.44,1.22,;-4.44,-.32,;-3.11,-1.09,;-1.77,-.32,;-.44,-1.09,;.65,-2.18,;.65,-3.72,;1.1,-2.63,;1.1,-1.09,;2.44,-.33,;3.53,-1.42,;1.99,-1.42,;4.3,-.08,;3.82,1.38,;2.49,2.15,;5.07,2.29,;6.31,1.38,;5.84,-.08,;6.61,-1.42,;5.84,-2.75,;8.15,-1.42,;-5.78,-1.09,;-7.24,-.61,;-8.15,-1.86,;-7.24,-3.11,;-5.78,-2.63,)|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccsc1 |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C)s1 |r,THB:8:9:16:12.13|
CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,TLB:23:22:15.21.16:18.19,14:15:22:18.19|
CCc1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCCC1 |r,TLB:18:16:10:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1sc(C)cc1C |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1sc(C)c(C)c1C |r,THB:8:9:16:12.13|
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cc2OCOc2s1 |r,THB:8:9:16:12.13|
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:12.13:15.10.9,THB:8:9:16:12.13|
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1c(F)cncc1F
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cncc(F)c1Cl
COc1ccnnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nnccc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncc[nH]c1=O
COc1nnc(Cl)cc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cc(C(O)c2ccc(F)c(c2)-c2ncnc3cc(ccc23)N2CCOCC2)c(Cl)nn1
COc1cc(Cl)nnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nnc(Cl)cc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cc(Cl)nnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nnccc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CC(C)(C)Oc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1N1CCCC1
COc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1c(Cl)cncc1Cl
COc1ccnnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc2nccn2n1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cnc(Cl)c(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(sc12)N1CCOCC1)c1nccnc1Cl
COc1ncc(Cl)nc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cnc(Cl)c(n1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1Cl
OC(c1cccnn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cnc(C(O)c2ccc(F)c(c2)-c2ncnc3cc(ccc23)N2CCOCC2)c(Cl)c1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1OC1COC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cnccn1
OC(c1cnccn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nc(Cl)cnc1Cl
OC(c1ccnnc1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccn2nccc2n1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nnc(C(O)c2cc(c(F)cc2Cl)-c2ncnc3cc(ccc23)N2CCOCC2)c2ccncc12
OC(c1ccc(Cl)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Cl
CNC(=O)c1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cnnc(c1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cccnn1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(Cl)nn1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
CN(C)C(=O)c1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cnc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(nn1)C(O)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc2nccn2n1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COC(=O)c1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cnc(cn1)C(O)c1ccc(OC)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)c1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1Cl
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cccnn1
COc1cnc(nc1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CN(C)c1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)[C@H](O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
COc1ccc(nn1)[C@@H](O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
COC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ccc(OC)nn1
COc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1C2CCC1COC2)c1ccc(=O)[nH]n1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ccc(=O)[nH]n1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1c(F)cncc1Cl
Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CCOc1cnnc(c1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1C(F)(F)F
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1OC(F)F
Cc1nccnc1[C@@H](O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
Cc1nccnc1[C@H](O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
Cc1nccnc1[C@H](O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
Cc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cncnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cnc(C)c(n1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Cn1c(cccc1=O)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(=O)[nH]n1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
CCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
NCCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(=O)n(n1)C1CC1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)Cn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OCCn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(OC2COC2)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
CC(Oc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)C#N
OCCOc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OCCNc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(OCCC#N)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
CSc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cc(C)c(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nnc(cc1C)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COCCOc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(OCC(O)=O)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COC(=O)COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(OCC(F)(F)F)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OCCOc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Nc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(nn1)C#N)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(OCC#N)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(cc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ccc(OC(F)F)nn1
COc1ccc(nn1)C(O)(C#C)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(O)(C(F)F)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(F)c1
COc1ccc(nn1)C(C)(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1nc(Cl)nc2cc(ccc12)N1CCOCC1
CN(C)CCOc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CCOc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)[C@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
COc1ccc(nn1)[C@@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
CC(O)(c1nccs1)c1cncc(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)C1=CCOCC1 |t:28|
OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ncc12)N1CCOCC1
OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ncc12)N1CCOCC1
OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
CNCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(sc12)N1CCOCC1
OC(c1ccc(s1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccs1
OC(c1nccs1)c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CC(O)(c1nccs1)c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1nccs1)c1cc(F)c(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1nccs1)c1cnc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OCc1csc(n1)[C@@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
OCc1csc(n1)[C@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1C2CCC1COC2
CCNCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nc(sc1C)C(O)c1cc(cnc1F)-c1ncnc2cc(ncc12)N1CCOCC1
Cc1nc(sc1C)C(O)c1cc(cnc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1csc(n1)C(O)c1cnc(F)c(c1)-c1ncnc2cc(ncc12)N1CCOCC1
Cc1nc(sc1C)C(O)c1cnc(F)c(c1)-c1ncnc2cc(ncc12)N1CCOCC1
CC(C)n1cc(cn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CC(C)(C)n1cc(cn1)C(O)c1cc(cnc1F)-c1ncnc2cc(ccc12)N1CCOCC1
FC(F)OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nc(sc1CO)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CC(O)c1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
CCn1cc(cn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cc(F)c(cc1C(O)c1nccs1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1nccs1)c1ccc(F)c(c1)-c1nc(nc2cc(ccc12)N1CCOCC1)C#C
OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1nccc1C(O)c1ccc(F)c(c1)-c1nc(Cl)nc2cc(ccc12)N1CCOCC1
OC(c1cccnc1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccccn1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1nc(ccc1=O)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1nc(ccc1=O)C(O)c1ccc(F)c(c1F)-c1ncnc2cc(ccc12)N1CCOCC1 |(-2.67,-.39,;-2.67,1.15,;-1.33,1.93,;-1.33,3.47,;-2.67,4.23,;-4,3.47,;-4,1.93,;-5.33,1.16,;,4.23,;,5.78,;1.33,3.47,;2.67,4.23,;4,3.47,;4,1.93,;5.33,1.15,;2.67,1.15,;1.33,1.93,;,1.15,;2.67,-.38,;4,-1.15,;4,-2.69,;2.67,-3.47,;1.33,-2.69,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;,-.38,;1.33,-1.15,;-2.67,-3.47,;-4,-2.69,;-5.33,-3.47,;-5.33,-5,;-4,-5.78,;-2.67,-5,)|
COc1ccc(cn1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc2ncnn2c1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cn2ccnc2cn1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nc1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cnc12)N1CCOCC1
CNC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1OC
CNC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Cl
COc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cnc12)N1CCOCC1
Cc1nccnc1[C@@H](O)c1ccc(F)c(c1)-c1ncnc2cc(cnc12)N1CCOCC1 |r|
Cc1nccnc1[C@H](O)c1ccc(F)c(c1)-c1ncnc2cc(cnc12)N1CCOCC1 |r|
Fc1cc(Cl)c(Cc2ccc3nccn3n2)cc1-c1ncnc2cc(ccc12)N1CCOCC1
CNC(=O)C(c1ccc2nccn2n1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(cnc12)N1CCOCC1
Cc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cnc12)N1CCOCC1
COc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(sc12)N1CCOCC1
Cc1nccnc1[C@H](O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1 |r|
COc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Cc1nccnc1[C@@H](O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1 |r|
COc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
CNC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1C
COc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
COc1nccnc1C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cc(F)c12)N1CCOCC1
COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Cc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Cc1nccnc1C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Cc1nccnc1C(C(N)=O)c1ccc(F)c(c1)-c1ncnc2cc(sc12)N1CCOCC1
COc1ccc(nn1)C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2ncnc12
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2ncnc12
COc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(N3CCOCC3)c(F)cc12
Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(N3CCOCC3)c(F)cc12
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccsc12
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2sccc12
CN1N=C(CCC1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |c:2|
NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Cl
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2ccsc12
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2sccc12
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cncc(n1)C(N)=O
NC(=O)C(c1cccnc1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1cccnc1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1cccnc1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cncc(n1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cncc(Cl)c1
NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1cccc2nncn12
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
NC(=O)C(c1cccnn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cnc(C(C(N)=O)c2cc(c(F)cc2Cl)-c2ncnc3cc(ccc23)N2CCOCC2)c(C)n1
Nc1cncc(n1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nccnc1C(C(N)=O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nccnc1C(C(N)=O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nccnc1C(C(N)=O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(C(N)=O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nnccc1C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(C(N)=O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
COc1ccc(nn1)C(C(N)=O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1nc(ccc1=O)C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1c(cccc1=O)C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Cl
Cc1ncc(nc1C)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1Cl
COc1nccnc1C(C(N)=O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1nc(ccc1=O)C(C(N)=O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cnc(C(C(N)=O)c2ccc(F)c(c2)-c2ncnc3cc(ccc23)N2CCOCC2)c(C)n1
COc1nccnc1C(C(N)=O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nccnc1C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1c(F)cncc1F
NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1cncc(F)c1Cl
NC(=O)C(c1ccc2nccn2n1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nccnc1C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(C(N)=O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1nc(ccc1=O)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nccnc1C(C(N)=O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12
Cc1nccnc1C(C(N)=O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc(O)c1Cl
Cc1nccnc1\C(C(O)=O)=C1\C=CC(=O)C(=C1)c1ncnc2cc(ccc12)N1CCOCC1 |c:13,17|
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccsc12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2sccc12
Cc1cc(C(C(N)=O)c2cc(c(F)cc2Cl)-c2ncnc3cc(ccc23)N2CCOCC2)n(C)c(=O)c1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccoc12
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccoc12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1n[nH]c(=O)c2ccsc12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1n[nH]c(=O)c2sccc12
Cc1cc(C(O)c2cc(c(F)cc2Cl)-c2ncnc3cc(ccc23)N2CCOCC2)n(C)c(=O)c1
Cc1cc(C(O)c2ccc(F)c(c2)-c2ncnc3cc(ccc23)N2CCOCC2)n(C)c(=O)c1
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2sccc12
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccsc12
OC(c1nnc2ccccn12)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Cn1cnc2c(ncnc12)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncn2cccc12
Cc1nccnc1Cc1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1cccc2nncn12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cnnc12
COC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1C
Cc1cnc(C(O)c2ccc(F)c(c2)-c2ncnc3cc(ccc23)N2CCOCC2)c(C)n1
Cc1cnc(C(O)c2cc(c(F)cc2F)-c2ncnc3cc(ccc23)N2CCOCC2)c(C)n1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
COc1ccc(nn1)C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Cn1c(nccc1=O)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Cn1c(cccc1=O)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1c(cccc1=O)C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1c(nccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2ccnc12
Cn1cnc2c(ncnc12)C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1cnc2c(ncnc12)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2ccnc12
OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1cccc2nncn12
OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
Cc1cncnc1C(C(N)=O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1nnc2ccccn12)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1c(cccc1=O)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1c(cccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1cnc2ncnc(C(O)c3cc(c(F)cc3F)-c3ncnc4cc(ccc34)N3CCOCC3)c12
Cn1ncc2c(ncnc12)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2CNCCc12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2CNCCc12
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncncc1F
Cn1ncc2c(ncnc12)C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cncnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nccnc1C(O)c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2ccnc12
CCn1c(cccc1=O)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1ncc2c(ncnc12)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1ncc2c(ncnc12)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1ncc2c(ncnc12)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
COc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2occc12
Cc1cncnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1cnc2c(ncnc12)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1cnc2ncnc(C(O)c3cc(c(F)cc3Cl)-c3ncnc4cc(ccc34)N3CCOCC3)c12
CN1CCN(C1=O)c1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1N1CCCC1=O
Cc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
OC(c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Cn1cnc2ncnc(C(O)c3ccc(F)c(c3)-c3ncnc4cc(ccc34)N3CCOCC3)c12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2occc12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
COc1cncnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cncnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1OC(F)F
COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
COc1nccnc1[C@H](O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
COc1nccnc1[C@@H](O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
Cc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
COc1ccc(nn1)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cn1cnc2ccnc(C(O)c3ccc(F)c(c3)-c3ncnc4cc(ccc34)N3CCOCC3)c12
CCc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
CCOc1cccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1OC(F)F
OC(c1cccnn1)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Cc1cccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
COc1cnc(C(O)c2ccc(F)c(c2)-c2ncnc3cc(ccc23)N2CCOCC2)c(Br)c1
OC(c1cn2ccsc2n1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1OC(F)(F)F
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1C(F)(F)F
OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br
CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
CCn1c(nc2c(C#N)c(Br)c(Br)cc12)N1CCN(CC1)C(=O)OC(C)(C)C
CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1
CCCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
CC(C)Cn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
CC(C)(C)OC(=O)N1CCN(CC1)c1nc2c(c(Br)c(Br)cc2[nH]1)[N+]([O-])=O
CCCn1c(NCCCN)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
CCn1c(N[C@H]2CCCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O |r|
NCCCNc1nc2c(c(Br)c(Br)cc2n1CC1CC1)[N+]([O-])=O
CC(C)Cn1c(NC2CCCNCC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1C
CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCCCC(N)C1
CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@H](N)C1 |r|
CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@@H](N)C1 |r|
CCn1c(NCCN)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
CCn1c(NCC2CCCN2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@H](N)C1 |r|
CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCOC(CN)C1
CC(C)n1c(NCC2CNCCO2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
CC(C)n1c(N[C@@H]2CCCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O |r|
CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC[C@H]1C |r|
CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CC[C@@H](N)C1 |r|
CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CC[C@H](N)C1 |r|
CC(C)n1c(nc2c(C#N)c(Br)c(Br)cc12)N1CC[C@@H](N)C1 |r|
CC(C)n1c(N[C@H]2CCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O |r|
CC(C)n1c(nc2c(C#N)c(Br)c(Br)cc12)N1CCOC(CN)C1
O[C@H](c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1Cl |r|
O[C@@H](c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1Cl |r|
Cn1ccnc1C(O)c1ccc(F)c(c1)-c1nc(Cl)nc2cc(ccc12)N1CCOCC1
COc1ccc(cc1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
NC(=O)C(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
COc1nccnc1[C@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
COc1nccnc1[C@@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)cc1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1cccc(OCCNCCCF)c1 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1F |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cnc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(C)cc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1C#N |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1Cl |r|
COc1ccc(OCCNCCCF)c(C)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1c(F)cc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(F)c(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1c(F)cc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)cc(F)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(F)cc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)c(F)cc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)n1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccn1 |r|
COc1ncc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)cnc1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cncc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ncc1F |r|
COc1ccc(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ncc(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cnc(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(NCCNCCCF)nc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cc(OCCNCCCF)ccc1Cl |r|
Cc1c(ccc(c1[C@@H]2c3c(c4ccccc4[nH]3)C[C@H](N2CC(CO)(F)F)C)F)OCCNCCCF
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21 |r|
COc1ccc(O[C@H](C)CNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(O[C@@H](C)CNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OC[C@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OC[C@@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)ccc(OCCNCCCF)c1F |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(C[C@H](C)C(O)=O)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(Cl)ccc(OCCNCCCF)c1F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1F)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCN(C)CCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cccc(OCCNCCCF)c1C(F)F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1C#N |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1CO |r|
COCc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(F)cc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccc(F)c(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(F)(F)F)c1cccc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(CC1)S(C)(=O)=O)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(C)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(C)ccc(OCCNCCCF)c1F |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1Cl |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC#N)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(NCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(NCCNCCCF)c1F |r|
COc1ccc(NCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(F)c(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(OCCNCCCF)c1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(NCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(NCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1nccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cncc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccnc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nc(OCCNCCCF)ccc1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1Cl |r|
COc1nnc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ncnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ncnc(OCCNCCCF)c1C |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)C(O)=O)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCC(F)F)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C(F)F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(Cl)ccc(OCCNCCCF)c1Cl)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccnc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCNCCCF)c1Cl)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1Cl)C(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(F)(F)F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(F)(F)F)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)ccc(OCCN(C)CCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CCC(O)=O)c1c(F)cnc(OCCN(C)CCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(O)=O)c1c(F)cnc(OCCN(C)CCCF)c1C |r|
CC(CC(O)=O)N1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccnc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCC(F)F)c1C)C(O)=O |r|
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FC1(F)CN(CCc2ccccc2)CCC1Nc1ncnc2[nH]ncc12
Fc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Cc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FC(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2ccccc2N2CCC3(CC2)CNCCO3)c1
N#Cc1ccc(Oc2ccccc2)c(c1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cccc(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2ccc(F)c(c2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(ccc2F)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2cc(F)c(F)c(c2)N2CCC3(CC2)CNCCO3)c1
Fc1c(Oc2ccccc2)cccc1N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)c2F)c1
Fc1cccc(Oc2cc(F)cc(N3CCC4(CC3)CNCCO4)c2F)c1
N#Cc1cc(Oc2ccccc2)cc(c1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(cc(n2)N2CCC3(CC2)CNCCO3)C(F)(F)F)c1
Fc1cccc(Oc2cncc(n2)N2CCC3(CC2)CNCCO3)c1
Fc1cccc(Oc2ccnc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cccc(Oc2cc(C)nc(n2)N2CCC3(CC2)CNCCO3)c1
Cc1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
Cc1cc(Oc2cccc(c2)C(F)(F)F)nc(n1)N1CCC2(CC1)CNCCO2
COc1cccc(Oc2cc(C)nc(n2)N2CCC3(CC2)CNCCO3)c1
FC(F)(F)c1cc(Oc2ccccc2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1ccccc1Oc1cc(nc(n1)N1CCC2(CC1)CNCCO2)C(F)(F)F
FC(F)(F)c1cc(Oc2cccc(c2)C#N)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C#N)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCO3)C2CC2)c1
COc1cc(Oc2cccc(F)c2)nc(n1)N1CCC2(CC1)CNCCO2
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNC(=O)CO3)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCC(F)(F)O3)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CC2)CNCCS3(=O)=O)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CC2)CNCCS3(=O)=O)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCCNC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNCC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CNCCO3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCCNC3)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CNCCC32OCCO2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(CNC(=O)O3)CC2)C(F)(F)F)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC3)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(CCNC3)CC2)c1
Fc1cccc(Oc2cc(F)cc(c2)N2CCC3(CCNC3)CC2)c1
Fc1cccc(Oc2cc(F)c(F)cc2N2CCC3(C2)CCNCC32OCCO2)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3(C2)CCNCC32OCCO2)C(F)(F)F)c1
CN(C)CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC2CC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CN(CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F)C1CC1
CNCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCC(F)(F)C2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
CC1CCC(C)N1CC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(F)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F
NCC1(O)CCN(CC1)c1cc(F)c(F)c(Oc2cccc(F)c2)c1
CC(C)C(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)C2CNC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2ccccc2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2cn[nH]c2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
OC1(CNC(=O)c2cnccn2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
NCC(=O)NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F |r|
NCC1(O)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F
Fc1cccc(Oc2cc(nc(n2)N2CCc3nc[nH]c3C2)C(F)(F)F)c1
Fc1cccc(Oc2cc(nc(n2)N2CCC3NCCCC3C2)C(F)(F)F)c1
Cc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
CNC[C@@H]([C@H](OCC(=O)NC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1
CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN1CO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1 |r|
CCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccncc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NC1CC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNC[C@@H]([C@H](OCc1cc(C)on1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CC[C@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCc1cc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H]([C@H](OCc1noc(C)n1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNCC([C@H](CO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1C)c1ccc2ccccc2c1 |r|
CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N(C)C)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CC[C@@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CCOC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
CNCC(C(OC)c1ccccc1)c1ccc2ccccc2c1
CNCC(Cc1ccccc1C)c1ccc2ccccc2c1
CNCC(Cc1cccs1)c1ccc2ccccc2c1
C[C@](CN)(Cc1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H](Cc1ccc(C)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc2ccccc2c1
CNC[C@H]([C@@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccccc1O)c1ccc2ccccc2c1
CNCC([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNCC(Cc1ccccc1OC)c1ccc2ccccc2c1
CNC[C@@H]([C@H](O)c1ccc(Cl)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
C1CO[C@H]([C@@H](CN1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 |r|
CNCC(CCc1ccccc1)[C@H](O)c1ccccc1 |r|
CNC[C@@H]([C@H](OCc1nc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@H](O)c1ccccn1)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(F)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CN1CCO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc(Cl)c(Cl)c1
CN(C)C[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)CC(C)(C(O)c1ccccc1)c1ccc2ccccc2c1
CNC[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
CN(C)C[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
NCC([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cncc(OC)c1)c1ccc2ccccc2c1 |r|
CNC[C@H](C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1-c1cccs1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@H](C(O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccc2OCOc2c1)c1ccc2ccccc2c1 |r|
NCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNCC(Cc1ccc(C)s1)c1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1O)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccsc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(SC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CCc1ccccc1[C@@H](O)[C@H](CNC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1OC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1I)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(OC)n1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](OC)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCCCN1c2ccccc2CCc3c1cccc3
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2 |r|
CNC[C@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
Cc1nc(C)n(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
CCCc1ncnn1Cc1cn(nn1)-c1ccc(Cl)cc1
CCCc1ncn(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
CC(C)c1ncn(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
CCc1ncnn1Cc1cn(nn1)-c1ccc(Cl)cc1
CCc1ncn(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
CC(C)c1ncnn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1ncnn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1ncn(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
Clc1ccc(cc1)-n1cc(Cn2nc(nc2C2CC2)C2CC2)nn1
Clc1ccc(cc1)-n1cc(Cn2ncnc2C2CCC2)nn1
Clc1ccc(cc1)-n1cc(Cn2cnc(n2)C2CCC2)nn1
Clc1ccc(cc1)-n1cc(Cn2cnc(n2)C2CC2)nn1
Clc1ccc(cc1)-n1cc(Cn2ncnc2C2CCCC2)nn1
Clc1ccc(cc1)-n1cc(Cn2cnc(n2)C2CCCC2)nn1
Clc1ccc(cc1)-n1cc(Cn2ncnc2C2CC2)nn1
FC(F)(F)c1ncn(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
CCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CC(C)(C)c1ncnn1Cc1cn(nn1)-c1ccc(Cl)cc1
CC(C)(C)c1ncn(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
Cc1nc(C2CCC2)n(Cc2cn(nn2)-c2ccc(Cl)cc2)n1
Cc1nc(nn1Cc1cn(nn1)-c1ccc(Cl)cc1)C1CCC1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
Clc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
OCc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
Clc1ccc(cc1)-n1cc(Cn2ccnc2C2CC2)nn1
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1nncn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
CCCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-n1cc(Cn2ccnc2C2CCC2)nn1
OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
FCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
CCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
CCCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
Cc1nc(C)n(Cc2cn(nn2)-c2ccccc2)n1
Cc1nc(CO)n(Cc2cn(nn2)-c2ccccc2)n1
Cc1nc(CO)nn1Cc1cn(nn1)-c1ccccc1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1Cl
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(F)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
COc1cc(F)ccc1-n1cc(Cn2ccnc2C)nn1
Cc1nccn1Cc1cn(nn1)-c1ccc(C)c(F)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(C)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)(F)F
Cc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
Cc1nccn1Cc1cn(nn1)-c1cccc(c1)C(F)(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(cc1)C(F)(F)F
Clc1ccc(c(Cl)c1)-n1cc(Cn2ccnc2C2CC2)nn1
Fc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
COc1cc(F)ccc1-n1cc(Cn2ccnc2C2CC2)nn1
Cc1ccc(cc1F)-n1cc(Cn2ccnc2C2CC2)nn1
Cc1cc(ccc1F)-n1cc(Cn2ccnc2C2CC2)nn1
Cc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)Oc1cccc(c1)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)c1cccc(c1)-n1cc(Cn2ccnc2C2CC2)nn1
FC(F)(F)c1ccc(cc1)-n1cc(Cn2ccnc2C2CC2)nn1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(C)c1
CCc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
CC(C)c1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
Cc1cc(ccc1Cl)-n1cc(Cn2ccnc2CCO)nn1
Cc1cc(ccc1Cl)-n1cc(Cn2ccnc2CCF)nn1
Cc1nccn1Cc1cn(nn1)-c1cccc(c1)C1CC1
Cc1nccn1Cc1cn(nn1)-c1cccc(c1)S(C)(=O)=O
OCCc1nccn1Cc1cn(nn1)-c1cccc(c1)C1CC1
CS(=O)(=O)c1cccc(c1)-n1cc(Cn2ccnc2CCO)nn1
CS(=O)(=O)c1cccc(c1)-n1cc(Cn2ccnc2CCF)nn1
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
FC(F)c1cc(ccc1F)-n1cc(Cn2ccnc2C2CC2)nn1
CCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CCCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
FC(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2C2CC2)nn1
CC(C)(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
CCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
CC(C)c1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
OCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
FCCc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1
Cc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
OCCc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
FCCc1nccn1Cc1cn(cn1)-c1cc(F)cc(c1)C(F)F
Cc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(C)(F)F
CC(F)(F)c1cc(ccc1F)-n1cc(Cn2ccnc2CCO)nn1
Cn1nccc1Cc1cn(nn1)-c1ccc(F)c(Cl)c1
Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1
Nc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(F)F
Nc1nccn1Cc1cn(nn1)-c1ccc(F)c(c1)C(F)F
CC(F)(F)c1cc(ccc1F)-n1cc(Cn2ccnc2N)nn1
FC(F)c1cc(ccc1F)-n1cc(Cc2cc[nH]n2)nn1
Cc1ccc(cc1)C(=O)c1nccn1Cc1cn(nn1)-c1ccc(Cl)cc1
Cc1nc2ccccc2n1Cc1cn(nn1)-c1ccc(Cl)c(Cl)c1
OCCc1nccn1Cn1cc(nn1)-c1ccc(cc1)S(F)(F)(F)(F)F
FCCc1nccn1Cc1cn(nn1)-c1cc(F)cc(c1)C(F)F
CC(F)(F)c1cc(ccc1Cl)-n1cc(Cn2ccnc2N)nn1
OCCc1nccn1Cc1cn(nn1)-c1ccc(cc1)S(F)(F)(F)(F)F
COc1cc(ncc1C#N)C(=O)NC1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccncc1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(CN2CCOCC2)nc1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nn1)N1CCOCC1
Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(NCC2CC2)nc1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(NC2CCOCC2)nc1
Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCNC(=O)C1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCNC(=O)C1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(o1)N1CCNCC1
Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(NC2CCOCC2)nc1
Cc1cc(ncc1-c1nc2ccncc2n1-c1ccc(F)cc1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)c1ncc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1 |r|
CC1(C)CN(CCO1)c1ncc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
CN1CCN(Cc2ccc(cc2)-c2nc3ccncc3n2-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(Cn2ccnc2)cc1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCNCC1
Clc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1
Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1
Cc1ccc(c(F)c1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1 |(-1.41,-4.37,;-1.81,-2.88,;-.72,-1.79,;-1.12,-.3,;-2.61,.09,;-3.7,-.99,;-5.18,-.6,;-3.3,-2.48,;-3.01,1.58,;-2.1,2.83,;-3.01,4.07,;-4.47,3.6,;-5.8,4.37,;-7.14,3.6,;-7.14,2.06,;-5.8,1.29,;-4.47,2.06,;-.56,2.83,;.21,1.49,;1.75,1.49,;2.52,2.83,;1.75,4.16,;.21,4.16,;4.06,2.83,;4.83,1.49,;6.37,1.49,;7.14,2.83,;6.37,4.16,;4.83,4.16,)|
Fc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Cc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1
Cc1ccc(cc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Cc1ccc(cn1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Cc1ccc(c(F)c1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1 |(-1.41,-4.37,;-1.81,-2.88,;-.72,-1.79,;-1.12,-.3,;-2.61,.09,;-3.7,-.99,;-5.18,-.6,;-3.3,-2.48,;-3.01,1.58,;-2.1,2.83,;-3.01,4.07,;-4.47,3.6,;-5.8,4.37,;-7.14,3.6,;-7.14,2.06,;-5.8,1.29,;-4.47,2.06,;-.56,2.83,;.21,1.49,;1.75,1.49,;2.52,2.83,;1.75,4.16,;.21,4.16,;4.06,2.83,;4.83,1.49,;6.37,1.49,;7.14,2.83,;6.37,4.16,;4.83,4.16,)|
Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCCC1
CC1CN(CCO1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
CN(C)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
Clc1ccc(nc1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1
Fc1cc(Cl)ccc1-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1 |(-5.18,-.6,;-3.7,-.99,;-3.3,-2.48,;-1.81,-2.88,;-1.41,-4.37,;-.72,-1.79,;-1.12,-.3,;-2.61,.09,;-3.01,1.58,;-2.1,2.83,;-3.01,4.07,;-4.47,3.6,;-5.8,4.37,;-7.14,3.6,;-7.14,2.06,;-5.8,1.29,;-4.47,2.06,;-.56,2.83,;.21,1.49,;1.75,1.49,;2.52,2.83,;1.75,4.16,;.21,4.16,;4.06,2.83,;4.83,1.49,;6.37,1.49,;7.14,2.83,;6.37,4.16,;4.83,4.16,)|
Fc1ccc(c(F)c1)-n1c(nc2ccncc12)-c1cnc(nc1)N1CCOCC1 |(-1.41,-4.37,;-1.81,-2.88,;-.72,-1.79,;-1.12,-.3,;-2.61,.09,;-3.7,-.99,;-5.18,-.6,;-3.3,-2.48,;-3.01,1.58,;-2.1,2.83,;-3.01,4.07,;-4.47,3.6,;-5.8,4.37,;-7.14,3.6,;-7.14,2.06,;-5.8,1.29,;-4.47,2.06,;-.56,2.83,;.21,1.49,;1.75,1.49,;2.52,2.83,;1.75,4.16,;.21,4.16,;4.06,2.83,;4.83,1.49,;6.37,1.49,;7.14,2.83,;6.37,4.16,;4.83,4.16,)|
Fc1cc(Cl)ccc1-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1 |(-5.18,-.6,;-3.7,-.99,;-3.3,-2.48,;-1.81,-2.88,;-1.41,-4.37,;-.72,-1.79,;-1.12,-.3,;-2.61,.09,;-3.01,1.58,;-2.1,2.83,;-3.01,4.07,;-4.47,3.6,;-5.8,4.37,;-7.14,3.6,;-7.14,2.06,;-5.8,1.29,;-4.47,2.06,;-.56,2.83,;.21,4.16,;1.75,4.16,;2.52,2.83,;1.75,1.49,;.21,1.49,;4.06,2.83,;4.83,1.49,;6.37,1.49,;7.14,2.83,;6.37,4.16,;4.83,4.16,)|
Clc1ccc(nc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
Cc1ccc(nc1)-n1c(nc2ccncc12)-c1ccc(nc1)N1CCOCC1
CC(=O)NC1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1
CC(=O)N1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
CS(=O)(=O)NC1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1
CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
NC(=O)NC1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1
NC(=O)N1CCN(CC1)c1ccc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
C1CN(CCO1)c1ncc(cn1)-c1nc2ccncc2n1-c1ccccc1
Fc1ccc(cc1)-n1c(nc2ccncc12)-c1cnc(N2CCOCC2)c(F)c1
Nc1ccc(cn1)-c1nc2ccncc2n1-c1ccc(Cl)cc1
COCCN(C)c1ncc(cn1)-c1nc2ccncc2n1-c1ccc(C)cc1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cccnc1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(nc1)N1CCOCC1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(nc1)N1CCNC(=O)C1
Cc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(nc1)N1CCOCC1
C1CN(CCO1)c1ncc(cn1)-c1cc2ccncc2n1-c1ccccc1
Cc1ccc(nc1)-n1c(cc2ccncc12)-c1cnc(nc1)N1CCOCC1
Cn1cncc1-c1cc2ccncc2n1-c1ccc(Cl)cc1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1ccn(C2CC2)c(=O)c1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cnc(NC2CCOCC2)nc1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1ccc(CN2CCOCC2)nc1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1cc[nH]c(=O)c1
Nc1cc(ccn1)-c1cc2ccncc2n1-c1ccc(Cl)cc1
Fc1cnccc1-c1cc2ccncc2n1-c1ccc(Cl)cc1
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1ccncc1Cl
Clc1ccc(cc1)-n1c(cc2ccncc12)-c1ccncc1
Cc1ccc(C(=O)NC2=CC(Cl)C(CN3CCc4cn[nH]c4C3)C=C2)cc1C#Cc1cnc2cccnn12
Cc1ccc(C(=O)NC2=CC(Cl)C(CN3CC4C=NNC4C3)C=C2)cc1C#Cc1cnc2cccnn12
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)C
FC(F)(F)COc1ccc(cn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1ccc(cn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1cc(ccn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1cnc(s1)-c1ccccc1 |r|
Clc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1c(n[nH]c1-c1ccccc1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1cc(cnc1Cl)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1ccc(nc1)C#N |r|
FC(F)(F)c1ccc(cn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1ccc(nc1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Clc1cncc(c1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1coc(n1)-c1ccccc1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1csc(n1)-c1ccccc1 |r|
Cc1cc(ccn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1cc(cc(C)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Cc1nc(cs1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1ccn(n1)-c1ccccc1 |r|
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC |r|
CCCCNc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r|
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)CC(F)(F)F)cc1OC |r|
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CCC(O)=O)cc1OC |r|
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CCC(O)=O)CC(F)F)cc1OC |r|
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@H]2C(O)=O)cc1OC |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
COc1cc(CC[C@@H](C)N2Cc3ccc(Cl)cc3C2)ccc1O |r|
COc1cc(CC[C@@H](C)N2Cc3ccc(cc3C2)C(F)(F)F)ccc1O |r|
COc1cc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)ccc1O |r|
COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(F)c2C1 |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc3OCOc3cc2C1 |r|
COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(C)cc2C1 |r|
COc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1O |r|
CC(CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc3ccccc3c2C1
COc1cc2CN(Cc2cc1OC)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2cc3OCOc3cc2C1 |r|
C[C@H](CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cc3OCOc3cc2C1 |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)ccc1O |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1O
CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CC(C)Oc1cc(CCC(C)(C)N2Cc3cc4OCOc4cc3C2)ccc1O
COc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1OCCO |r|
C[C@H](CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
CC(C)(CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1
COc1cc2CN(Cc2cc1OC)C(C)(C)CCc1ccc(F)cc1
CC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1
CC(C)(CCc1ccc(F)cc1)N1Cc2cc3OCOc3cc2C1
CC(C)Oc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1O |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)cc1OC(C)C |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cccc(F)c3C2)cc1OC(C)C |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r|
C[C@H](CCc1ccc(OC(=O)N(C)C)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 |r|
CC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C
C[C@H](CCc1ccc(OC(=O)N(C)C)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OCCO
COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OCCO
COC[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(F)cc2C1 |r|
COc1cc(CCC(C)(C)N2Cc3cc4OCOc4cc3C2)ccc1OCCO
COc1cc2CN(Cc2cc1OC)C(C)(C)CCc1ccc(OCCO)c(OC)c1
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OC(=O)N(C)C
COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OC(=O)N(C)C
COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1OCCO |r|
COc1cc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)ccc1OCCO |r|
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2c(C1)c(F)ccc2F
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(C(O)=O)c2C1
CN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC(F)(F)F)c1
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC(C)(C)C)c1
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2c(C1)c(F)ccc2F |r|
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2cccc(F)c2C1 |r|
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2ccc(cc2C1)S(C)(=O)=O
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2ccc(cc2C1)S(C)(=O)=O |r|
COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O
COc1cc(CC[C@@H](C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O |r|
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(c2C1)S(C)(=O)=O
COc1cc(CC[C@@H](C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O |r|
CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
C[C@H](CCc1ccc(OCCO)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3c(C2)c(F)ccc3F)ccc1O
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(C(O)=O)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)NCCN(C)C)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)NCCO)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCOCC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N(C)CCN(C)C)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCN(C)CC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCN(CC4)C(C)=O)c3C2)ccc1O
COCCNC(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC)c1
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N(C)CCO)c3C2)ccc1O
COCCN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC)c1
CC(C)COc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
CC(C)COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(CF)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
CCOc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(OC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cc1 |r|
COc1cc(NC2CN(CCCF)C2)c(F)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)nc1 |r|
COc1cc(NC2CN(CCC(F)(F)F)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CF)c1ncc(NC2CN(CCCF)C2)cc1F |r|
CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@H](CN1[C@@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r|
Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@@](C)(O)C(F)(F)F)no1 |r|
C[C@@](O)(c1cc(Cl)c(NC(=O)NCc2nc(no2)C(F)(F)F)c(Cl)c1)C(F)(F)F |r|
Cc1cc(CNC(=O)Nc2c(Cl)cc(cc2Cl)[C@](C)(O)C(F)(F)F)no1 |r|
C[C@](O)(c1cc(Cl)c(NC(=O)NCc2nc(no2)C(F)(F)F)c(Cl)c1)C(F)(F)F |r|
O[C@H](c1cc(Cl)c(NC(=O)NCc2ccc(cn2)C(F)(F)F)c(Cl)c1)C(F)(F)F |r|
O[C@H](c1cc(Cl)c(NC(=O)NCc2cnc(s2)C(F)(F)F)c(Cl)c1)C(F)(F)F |r|
O[C@@H](c1cc(Cl)c(NC(=O)NCc2ccc(cn2)C(F)(F)F)c(Cl)c1)C(F)(F)F |r|
O[C@@H](c1cc(Cl)c(NC(=O)NCc2cnc(s2)C(F)(F)F)c(Cl)c1)C(F)(F)F |r|
CC(O)(c1cc(Cl)c(NC(=O)CC2CCCCC2)c(Cl)c1)C(F)(F)F
NC(c1cc(Cl)c(NC(=O)NCc2ccc(nc2)C(F)(F)F)c(Cl)c1)C(F)(F)F
CC#Cc1cccc2cc([C@H](C)Nc3ncnc(N)c3-c3nc(C)no3)n(-c3ccccc3)c(=O)c12 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CCO)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(C#CCO)c2c(=O)n1-c1ccccc1 |r|
Nc1ccccc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1
Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1ccco1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccccc1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1cccs1
Nc1ccccc1NC(=O)c1cc2ccc(cc2cn1)N1CCNCC1
Nc1ccc(cc1NC(=O)c1cc2ccc(cc2cn1)N1CCNCC1)-c1ccccc1
Nc1ccc(cc1NC(=O)c1cnc2cc(ccc2c1)N1CCNCC1)-c1ccoc1
Nc1ccc(cc1NC(=O)c1cnc2cc(ccc2c1)N1CCNCC1)-c1ccncc1
CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccncc1
CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccncc1
CN1CCN(CC1)c1ccc2cc(ncc2c1)C(=O)Nc1cc(ccc1N)-c1ccco1
CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1cccs1
Cc1nc(sc1C(=O)Nc1cc(ccc1N)-c1cccs1)N1CCNCC1
Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccncc1
Nc1ccc(cc1NC(=O)c1ccc(cn1)N1CCNCC1)-c1ccc(F)cc1
Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1cccs1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCCOC2)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1
COCC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(C)n1
COCC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
COCC1(CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C(C)(C)C)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11|
Cc1cccc(n1)C1=CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 |r,t:8|
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:8|
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCOC2)CC1
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11|
COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14|
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCCCO2)CC1 |t:8|
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 |r|
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1
FC(F)(F)Oc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCOCC2)CC1 |t:8|
Cc1cccc(n1)C1=CCN(CCNC(=O)C(C)(C)C)CC1 |t:8|
CC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:12|
COc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
FC(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CN(C)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
Fc1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
CC(C)(O)c1ccc(cc1)-c1ccn2c(CC3CC3(F)F)nnc2c1
COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1
Cc1cc(ccc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1
COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1
FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCCc2c1
FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2CCOc12
FC1(F)CC1Cc1nnc2cc(ccn12)-c1cccc2cccnc12
FC1(F)CC1Cc1nnc2cc(ccn12)-c1ccc2OCOc2c1
Cc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Fc1cccc(c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
Cc1cc(F)ccc1-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
COc1ccc(cc1F)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
COC(=O)c1ccc(c(F)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
COC(=O)c1ccc(c(Cl)c1)-c1ccn2c(CC3CC3(F)F)nnc2c1Cl
FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCCc2c1
FC1(F)CC1Cc1nnc2c(Cl)c(ccn12)-c1ccc2OCOc2c1
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Cc1nccn1CC(=O)N1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12 |r|
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Cl)cccc12
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Br)cc12
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Br)ccc12
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Br)cccc12
Cc1nccn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(cc12)N=[N+]=[N-]
CC1(C)Oc2ccc(cc2C2OCC3(CCN(CC3)C(=O)Cn3ccnc3C#N)CC12)N=[N+]=[N-]
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3ccnc3C#N)CC12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3cnc(CO)c3)CC12
Cc1c(CO)ncn1CC(=O)N1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3ccnc3CO)CC12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3cnc(CF)c3)CC12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CC3)C(=O)Cn3cnc(c3)C(F)(F)F)CC12
Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12 |r|
Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12 |r|
Cc1nc[nH]c1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Cc1nc[nH]c1CN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12 |r|
Cc1nc[nH]c1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Cl)cccc12
CCc1nc(C)c(CN2CCC3(CC2)COC2C(C3)C(C)(C)Oc3ccc(Cl)cc23)[nH]1
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(Cc4c[nH]cn4)CC3)CC12
Cc1nc(CN2CCC3(CC2)COC2C(C3)C(C)(C)Oc3ccc(Cl)cc23)c[nH]1
Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Cn1cncc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2c(Cl)cccc12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(Cc4ncc[nH]4)CC3)CC12
Cn1ccnc1CN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
CC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4)CC3)CC12
CC1(C)Oc2ccc(F)cc2C2OCC3(CCN(CCn4ccnc4)CC3)CC12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4ccnc4)CC3)CC12
CC1(C)Oc2cc(Cl)ccc2C2OC[C@]3(CCN(CCn4ccnc4)CC3)CC12 |r|
Cc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12
Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(F)cc12 |r|
Cc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12 |r|
Cc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
Cc1nccn1CCN1CC[C@@]2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12 |r|
CC1(C)Oc2ccc(F)cc2C2OCC3(CCN(CCn4ccnc4CO)CC3)CC12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4ccnc4CO)CC3)CC12
CC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4CO)CC3)CC12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4cnc(CO)c4)CC3)CC12
Cc1c(CO)ncn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
Cc1nc(CO)cn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2cc(Cl)ccc12
CC1(C)Oc2ccc(Cl)cc2C2OCC3(CCN(CCn4ccnc4C#N)CC3)CC12
COC(=O)c1cn(CCN2CCC3(CC2)COC2C(C3)C(C)(C)Oc3ccc(Cl)cc23)cn1
CC(=O)NCCc1nccn1CCN1CCC2(CC1)COC1C(C2)C(C)(C)Oc2ccc(Cl)cc12
CC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4CCN)CC3)CC12
Cc1nc[nH]c1CN1CCC2(CC1)COC1C(COc3cc(Cl)ccc13)C2
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cccc(O)c1 |r|
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CN(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1ccc(c1)-c1c(cnc2[nH]ccc12)C#N
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CCCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC(C)CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
O=S(=O)(C1CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
FC(F)(F)CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC1(CC1)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CCS(=O)(=O)N1CC(C1)(C(C)C#N)n1cc(cn1)-c1ncnc2[nH]ccc12
CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CC1(CC1)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1ccnc2[nH]ccc12
O=S(=O)(N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12)N1CCCC1
CCS(=O)(=O)N1CC(C1)(C(C)C#N)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cc1C#N)-c1ncnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(c(Cl)n1)-c1ccnc2[nH]ccc12
CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1ncnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(Cl)cnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
COc1ccsc1CNCC[C@]2(CCOC3(C2)CCCC3)c4ccccn4
C(C[C@]1(CCO[C@]2(CCOC2)C1)c1ccccn1)NCc1scc2CCCc12 |r|
Fc1ccc(nc1)[C@]1(CCNCc2cccc(Cl)c2)CCO[C@]2(CCOC2)C1 |r|
Cc1cccc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccc(F)cn2)c1 |r|
Cc1cc(\C=C\C(=O)c2cc3ccccc3s2)cc(C)c1OC(C)(C)C(O)=O
Cc1cc(\C=C\C(=O)c2cnc3ccccc3c2)cc(C)c1OC(C)(C)C(O)=O
Cc1cc(\C=C\C(=O)c2cc3ccccc3nc2Cl)cc(C)c1OC(C)(C)C(O)=O
COc1nc2ccccc2cc1C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
COCCOc1nc2ccccc2cc1C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
Cc1cc(\C=C\C(=O)c2cc3ccccc3nc2C(F)(F)F)cc(C)c1OC(C)(C)C(O)=O
CN(C)c1nc2ccccc2cc1C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
Cc1cc(\C=C\C(=O)c2cc3ccccc3nc2N2CCCC2)cc(C)c1OC(C)(C)C(O)=O
CSc1nc2ccccc2cc1C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
COc1ccc2cc(C(=O)\C=C\c3cc(C)c(OC(C)(C)C(O)=O)c(C)c3)c(Cl)nc2c1
COc1ccc2cc(C(=O)\C=C\c3cc(C)c(OC(C)(C)C(O)=O)c(C)c3)c(OC)nc2c1
COc1ccc2nc(OC)c(cc2c1)C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
CCc1cc2cnc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O
CCc1cc2cnc(CN3CCN(CC3)c3ccc(nc3F)C(=O)NC)cc2[nH]c1=O
CCc1cc2cnc(CN3CCN(CC3)c3ccc(nc3Cl)C(=O)NC)cc2[nH]c1=O
CCC1=Cc2c(cc(cn2)CN3CCN(CC3)c4ccc(nc4)C(=O)NC)NC1=O
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3F)C(=O)NC)cc2[nH]c1=O
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3Cl)C(=O)NC)cc2[nH]c1=O
CCc1nc(ccc1N1CCN(Cc2ccc3nc(CC)c(=O)[nH]c3c2)CC1)C(=O)NC
CCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3C(F)(F)F)C(=O)NC)cc2[nH]c1=O
CCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3C(F)F)C(=O)NC)cc2[nH]c1=O
CCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O
CCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3F)C(=O)NC)cc2[nH]c1=O
CCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3C)C(=O)NC)cc2[nH]c1=O
CCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3Cl)C(=O)NC)cc2[nH]c1=O
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(c(=O)[nH]c3c2)C(F)(F)F)CC1
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(Cl)n1
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(c(=O)[nH]c4c3)C(F)(F)F)CC2)c(F)n1
CCCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O
CCCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3Cl)C(=O)NC)cc2[nH]c1=O
CCCc1nc2ccc(CN3CCN(CC3)c3ccc(nc3F)C(=O)NC)cc2[nH]c1=O
CCc1nc2cc(F)c(CN3CCN(CC3)c3ccc(nc3F)C(=O)NC)cc2[nH]c1=O
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(c(=O)[nH]c3c2)C(C)(F)F)CC1
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CC(F)F)c(=O)[nH]c3c2)CC1
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CC(F)F)c(=O)[nH]c4c3)CC2)c(F)n1
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CCF)c(=O)[nH]c4c3)CC2)c(F)n1
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CC(F)(F)F)c(=O)[nH]c3c2)CC1
CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(CC(F)(F)F)c(=O)[nH]c4c3)CC2)c(F)n1
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3C(F)F)C(=O)NC)cc2[nH]c1=O
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3C(F)(F)F)C(=O)NC)cc2[nH]c1=O
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3C)C(=O)NC)cc2[nH]c1=O
CCNC(=O)c1ccc(cn1)N1CCN(Cc2cnc3cc(CC)c(=O)[nH]c3c2)CC1
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(O)CCC(=O)OC
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)(C)CO
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(O)C(C)C
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CCC(O)CC1 |(-2.34,-3.7,;-3.67,-2.93,;-3.67,-1.39,;-2.34,-.62,;-1.01,-1.39,;.33,-.62,;.33,.92,;1.66,1.69,;2.99,.92,;2.99,-.62,;1.66,-1.39,;4.33,1.69,;4.33,3.23,;5.79,3.7,;6.7,2.46,;8.23,2.3,;8.86,.89,;10.34,.49,;7.95,-.36,;6.42,-.2,;5.79,1.21,;-5.01,-.62,;-5.01,.92,;-6.34,-1.39,;-7.68,-.62,;-9.01,-1.39,;-9.01,-2.93,;-10.34,-3.7,;-7.68,-3.7,;-6.34,-2.93,)|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CC(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCOCC1
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CO
CCN(CCN1CCC(CC1)c1noc2cc(F)c(C)cc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2ccc(C)cc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)C1NOc2cc(F)ccc12)C(=O)C(O)COC
CCN(CCN1CCC(CC1)c1n[nH]c2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1c[nH]c2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CC1
CCN(CCN1CCC(CC1)c1noc2ccccc12)C(=O)C(C)O
CCN(CCN1CCN(CC1)c1noc2ccccc12)C(=O)C(C)O
CCN(CCN1CCN(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CC[C@@H](O)C(=O)N(CC)CCN1CCC(CC1)c1noc2cc(F)ccc12 |r|
CC(O)C(=O)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)CC1CC1
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CCCCC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(O)C(F)(F)F
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(F)(F)CO
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)CO
CCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CCCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(C)O
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H](C)O |r|
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(-2.34,-3.7,;-3.67,-2.93,;-3.67,-1.39,;-2.34,-.62,;-1.01,-1.39,;.33,-.62,;.33,.92,;1.66,1.69,;2.99,.92,;2.99,-.62,;1.66,-1.39,;4.33,1.69,;4.33,3.23,;5.79,3.7,;6.7,2.46,;8.23,2.3,;8.86,.89,;10.34,.49,;7.95,-.36,;6.42,-.2,;5.79,1.21,;-5.01,-.62,;-5.01,.92,;-6.34,-1.39,;-6.34,-2.93,;-7.68,-3.7,;-9.01,-2.93,;-10.34,-3.7,;-9.01,-1.39,;-7.68,-.62,)|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@@H]1CC[C@H](O)CC1 |r,wU:23.25,26.29,(-2.34,-3.7,;-3.67,-2.93,;-3.67,-1.39,;-2.34,-.62,;-1.01,-1.39,;.33,-.62,;.33,.92,;1.66,1.69,;2.99,.92,;2.99,-.62,;1.66,-1.39,;4.33,1.69,;4.33,3.23,;5.79,3.7,;6.7,2.46,;8.23,2.3,;8.86,.89,;10.34,.49,;7.95,-.36,;6.42,-.2,;5.79,1.21,;-5.01,-.62,;-5.01,.92,;-6.34,-1.39,;-7.68,-.62,;-9.01,-1.39,;-9.01,-2.93,;-10.34,-3.7,;-7.68,-3.7,;-6.34,-2.93,)|
CCN(CCN1CCC(CC1)c1noc2ccc(F)cc12)C(=O)[C@H](C)O |r|
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CC(O)C1 |(-2.73,-3.7,;-4.07,-2.93,;-4.07,-1.39,;-2.73,-.62,;-1.4,-1.39,;-.06,-.62,;-.06,.92,;1.27,1.69,;2.6,.92,;2.6,-.62,;1.27,-1.39,;3.94,1.69,;3.94,3.23,;5.4,3.7,;6.31,2.46,;7.84,2.3,;8.46,.89,;9.95,.49,;7.56,-.36,;6.03,-.2,;5.4,1.21,;-5.4,-.62,;-5.4,.92,;-6.73,-1.39,;-8.22,-.99,;-8.62,-2.48,;-9.95,-3.25,;-7.13,-2.88,)|
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)CCO
CCN(CCN1CCC(CC1)c1c[nH]c2cc(F)ccc12)C(=O)CCO
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)C(=O)[C@@H](C)O |r|
CCN(CCN1CCC(CC1)n1ccc2cc(F)ccc12)C(=O)C(C)O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCCN1CCC(CC1)c1noc2ccccc12)S(=O)(=O)C(C)CO
CCN(CCCN1CCN(CC1)c1noc2cc(F)ccc12)S(=O)(=O)C(C)CO
CCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)S(=O)(=O)C(C)CO
CCN(CCN1CCC(CC1)c1c[nH]c2ccccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2cc(F)c(C)cc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2ccc(C)cc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1noc2ccccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)c1c[nH]c2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)S(=O)(=O)CCO
CCN(CCN1CCC(CC1)n1ncc2cc(F)ccc12)S(=O)(=O)C(C)CO
CCN(CCN1CCC(CC1)C1NOc2cc(F)ccc12)C(=O)C(O)CN
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CNCC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CNCCC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCCNC1
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCNC1
CCN(CCN1CCC(CC1)C1NOc2cc(F)ccc12)C(=O)C(O)CNC(C)=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1(O)CCCN(C1)C(C)=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CN(CCC1O)C(C)=O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CN(C)CC1O
CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C1CN(C)CCC1O
CC(C)Oc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
COCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
CC(C)Oc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOC3)c2c1
COCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCS(=O)(=O)C3)c2c1
OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NC3CCS(=O)(=O)C3)c2c1
Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NC[C@@H]3CCOC3)c2c1 |r|
Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NC[C@H]3CCOC3)c2c1 |r|
Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCS(=O)(=O)C4)c3c2)c1F
CC(C)Oc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCS(=O)(=O)C3)c2c1
Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCCOC3)c2c1
Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCCO3)c2c1
Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCCCO3)c2c1
Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCOC3)c2c1
CN(C)Cc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCC2)c1
OCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cnccc1CN1CCCC1
O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cnccc1CN1CCOCC1
CN(C)Cc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
COCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cccnc1
O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cnccc1CN1CCNCC1
Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCOC4)c3c2)c1F
O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCOCC2)c1
CNCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
CC(C)(O)CNc1ncc(cn1)-c1nc2ccncc2n1-c1ccc(F)cc1
Clc1ccc(cc1)-n1c(nc2ccncc12)C1CCN(CC1)c1ccncc1
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1ccnc(OCCCNC(=O)OC(C)(C)C)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cc(Cl)nc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1nccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OCC2(F)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1nccc(OCC2(C)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1nccc(OCC2(O)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1nccc(OCC2(CO)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OCC[C@@H](C)N)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OCC[C@H](C)N)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OC[C@@H]2CNCCO2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@H]2CNCCO2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@@H](O)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1ccnc(OCCCN)c1-c1cc(Nc2cnc(Cl)cn2)n[nH]1
COc1ccnc(OCCCN)c1-c1cc(Nc2cnc(cn2)C(F)(F)F)n[nH]1
COc1ncnc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OCC2CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(O[C@@H]2CCC[C@H](N)C2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@]2(F)CCNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@H]2CCNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@@]2(F)CCNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1ncnc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
NCCCOc1cncc(OCF)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OCC2(C)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OCC2(CNC2)C(F)F)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(OC[C@@H](C)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@H](C)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@@H](F)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(OC[C@H](F)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
CNCCCOc1cncc(OC)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1cncc(O[C@@H]2CC[C@@H](N)C2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(O[C@H](C)C2CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(O[C@H](C)C2(O)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
CN[C@@H]1CC[C@H](C1)Oc1cncc(OC)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1cncc(O[C@H]2C[C@H](N)[C@H]3C[C@@H]23)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
COc1ccnc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
COc1nccc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
CCOc1ccc(cc1OCC)-c1nnc(o1)-c1ccc2CC[C@@](N)(CO)Cc2c1 |r|
CC(C)Oc1ccc(cc1C(F)(F)F)-c1nnc(o1)-c1ccc2CC[C@@](N)(CO)Cc2c1 |r|
CC(C)Oc1ccc(cc1C#N)-c1nnc(o1)-c1ccc2CCC(N)(CO)Cc2c1
Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)ccc2ncc1=O |r|
Cn1c2nc(OCCNC[C@@H]3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)ccc2ncc1=O |r|
Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)cnc2ccc1=O |r|
Cn1c2nc(OCCNC[C@@H]3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)cnc2ccc1=O |r|
Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3cnc4OCC(=O)Nc4n3)ccc2ncc1=O |r|
Cn1c2nc(OCCNC[C@@H]3CN(C(=O)O3)c3cnc4OCC(=O)Nc4n3)ccc2ncc1=O |r|
Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3cnc4OCC(=O)Nc4n3)cnc2ccc1=O |r|
Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3cnc4OCC(=O)Nc4n3)c(F)cc2ncc1=O |r|
Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3cnc4SCC(=O)Nc4n3)ccc2ncc1=O |r|
Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3cnc4SCC(=O)Nc4n3)cnc2ccc1=O |r|
CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC
CC(C)(F)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(F)F |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CF)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cc2nn[nH]n2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Cn1nnc(C[C@H]2CN([C@@H](Cc3ccc(Cl)cc3)CO2)C2CCN(CC2)c2nnc(N)[nH]2)n1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CC#N)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CCCC2=O)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cn2cc(cn2)C#N)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Cn1ccc(n1)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Cn1nccc1[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Cc1cc(nn1C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)c1ccn[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cn2cccn2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CC(F)(F)F)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CCOCC2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)[C@H](O)C(F)(F)F |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)[C@@H](O)C(F)(F)F |r|
C[C@@H]([C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1)n1cccn1 |r|
C[C@H]([C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1)n1cccn1 |r|
CC(F)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cn2ccnn2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Cc1cc(on1)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC1(C)CC1NC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)NC1CC1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)NCC(F)F |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)NCC(F)(F)F |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cn2cncn2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CCCC2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CCC(F)(F)C2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CC[C@H](O)C2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CC[C@@H](O)C2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
CS(=O)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CS(=O)(=O)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Cc1cc([nH]n1)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CCCCC2=O)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cn2cc(F)cn2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CC(F)C2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CCC(F)(F)CC2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](COCC(F)(F)F)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](COC(F)F)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
CSC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC(F)(F)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](COCC(F)F)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cn2cc(Cl)cn2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
CS(=O)(=O)CCNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CNS(=O)(=O)CCNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](Cn2ccnc2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
CN(C)C(=O)OC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Cc1coc(n1)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Cc1nc(oc1C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC1CN(C[C@H]2CN([C@@H](Cc3ccc(Cl)cc3)CO2)C2CCN(CC2)c2nnc(N)[nH]2)C1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CN2CCCCC2)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)N1CCC(F)(F)CC1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)N1CCC(F)(F)C1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](C[C@@H]1Cc1ccc(Cl)cc1)N1CCOCC1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1CC(F)(F)C[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1CC(F)(F)CC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](CC[C@@H]1Cc1ccc(Cl)cc1)N1CCOCC1 |r|
CC1(O)CCN([C@@H](Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)N1CCCC1 |r|
CC1CN(C1)C(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)N1CC(F)C1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)N1CCOCC1 |r|
CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Br)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC(C)NC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC(C)(C)NC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CCC(O)(CC)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC(C)CNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](O)CC[C@@H]1Cc1ccc(Cl)cc1 |r|
CO[C@@H]1CC[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1CC2CC2C[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2COCCN2C[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
C[C@H]1CN([C@@H](Cc2ccc(Br)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CF)OC[C@@H]1Cc1ccc(Br)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cncn2C[C@@H]1Cc1ccc(cc1)C(F)(F)F |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CC(F)(F)CN2C[C@@H]1Cc1ccc(cc1)C(F)(F)F |r|
Nc1nnc([nH]1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1 |r|
CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
COC(C)(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r|
CCOC(=O)C1CC[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CO[C@H]1CN([C@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1 |r|
C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1C)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC(C)CN1CCN([C@@H](Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1C)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](O)C[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccc(Cl)cc1 |r|
CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2ccccc12)C1CCN(CC1)c1nnc(N)[nH]1 |r|
CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cc(F)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nnc([nH]1)N1CCC(CC1)N1Cc2cc(Cl)cc(Cl)c2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
COc1cc(Cl)ccc1-c1cnn(Cc2ccn(C)n2)c1
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(CCC(O)=O)NC(=O)CNC(=O)C(N)Cc1c[nH]cn1)C(C)O)C(C)O)C(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO)C(N)=O
C[C@H]1CN(CCN1Cc1nc2ccc(cc2n1C[C@@H]1CCO1)C(O)=O)c1cccc(OCc2ccc(cn2)C#N)n1 |r|
OC(=O)c1ccc2nc(CN3CCN(CC3)c3cccc(OCc4ccc(cn4)C#N)n3)n(C[C@@H]3CCO3)c2c1 |r|
OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc(OCc4ccc(cc4F)C#N)c3)n(C[C@@H]3CCO3)c2n1 |r|
C[C@H]1CN(CCN1Cc1nc2ccc(cc2n1C[C@@H]1CCO1)C(O)=O)c1cncc(OCc2ccc(cc2F)C#N)n1 |r|
C[C@H]1CN(CCN1Cc1nc2ccc(nc2n1C[C@@H]1CCO1)C(O)=O)c1cccc(OCc2ccc(cn2)C#N)n1 |r|
OC(=O)c1ccc2nc(CN3CCN(CC3)c3cccc(OCc4ccc(cc4F)C#N)c3)n(CC3(F)CC3)c2c1
OC(=O)c1ccc2nc(CN3CCN(CC3)c3cccc(OCc4ccc(cn4)C#N)c3)n(C[C@@H]3CCO3)c2n1 |r|
OC(=O)c1ccc2nc(CN3CCN(CC3)c3cccc(OCc4ccc(cn4)C#N)c3)n(C[C@@H]3CCO3)c2c1 |r|
OC(=O)c1ccc2nc(CN3CCN(CC3)c3cccc(OCc4ncc(Cl)cc4F)n3)n(C[C@@H]3CCO3)c2c1 |r|
OC(=O)c1ccc2nc(CN3CCN(CC3)c3cccc(OCc4ccc(Cl)cn4)n3)n(C[C@@H]3CCO3)c2c1 |r|
CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
C[C@@H]1OC[C@]2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wU:4.3,wD:27.31,1.0,(-7.97,-1.65,;-6.72,-.75,;-6.72,.79,;-5.26,1.27,;-4.35,.02,;-3.58,1.36,;-2.04,1.36,;-1.27,.02,;-2.04,-1.31,;-3.58,-1.31,;.27,.02,;1.04,-1.31,;2.58,-1.31,;3.35,-2.65,;3.35,.02,;4.89,.02,;5.66,-1.31,;7.2,-1.31,;7.97,.02,;7.2,1.36,;7.97,2.69,;5.66,1.36,;4.89,2.69,;2.58,1.36,;3.35,2.69,;1.04,1.36,;.27,2.69,;-5.26,-1.22,;-4.78,-2.69,)|
Cc1nc(N2CC[C@]3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:7.7,15.17,(-4.02,2.61,;-3.25,1.28,;-1.71,1.28,;-.94,-.05,;.6,-.05,;1.37,1.28,;2.91,1.28,;3.69,-.02,;4.75,-1.14,;6.14,-.48,;7.56,-1.08,;8.79,-.14,;8.59,1.38,;7.17,1.98,;5.94,1.04,;4.43,1.33,;3.77,2.72,;2.91,-1.38,;1.37,-1.38,;-1.71,-1.39,;-.94,-2.72,;-3.25,-1.39,;-4.02,-2.72,;-4.02,-.05,;-5.7,-.06,;-6.47,-1.39,;-8.01,-1.39,;-8.78,-.06,;-8.01,1.28,;-8.79,2.61,;-6.47,1.28,;-5.71,2.61,)|
Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)|
Cc1c(nc(N)n(-c2cccc(Cl)c2Cl)c1=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r,wD:28.32,(-1.62,-3.11,;-2.01,-1.62,;-.93,-.53,;-1.32,.95,;-2.81,1.35,;-3.21,2.84,;-3.9,.26,;-5.64,.72,;-6.73,-.37,;-8.22,.03,;-8.62,1.51,;-7.53,2.6,;-7.93,4.09,;-6.04,2.2,;-4.95,3.29,;-3.5,-1.22,;-4.59,-2.31,;.56,-.93,;.96,-2.42,;2.45,-2.82,;3.54,-1.73,;4.13,-3.15,;5.66,-3.03,;6.78,-4.09,;8.26,-3.65,;8.62,-2.15,;7.5,-1.09,;6.02,-1.53,;4.71,-.73,;4.71,.81,;3.14,-.24,;1.65,.16,)|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccccc2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccccn2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccncc2)O1)c1ccc(C#N)c2ncccc12 |r|
COc1ccc(cc1)N1CCN(C[C@H]2CN(C[C@@H](C)O2)c2ccc(C#N)c3ncccc23)CC1 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc(Cl)cc2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CNCCc3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CNCc3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cnc3CNCc3c2)O1)c1ccc(C#N)c2ncsc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CCNCc3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cnc3CNCc3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CNCCc3n2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CN(CCO)Cc3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cc3CCNCc3cn2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cc3CNCCc3cn2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cnc3CCNCc3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CNCC(O)c3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cnc3CNCCc3c2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cnc3CNCc3c2)O1)c1ccc(C#N)c2nccnc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CNCc3n2)O1)c1ccc(C#N)c2ncccc12 |r|
CC1NCc2ncc(cc12)N1CCN(C[C@H]2CN(C[C@@H](C)O2)c2ccc(C#N)c3ncccc23)CC1 |r|
C[C@@H]1CN(C[C@H](CN2CC3(C2)CN(CCO3)c2cnc3CNCCc3n2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2ccc3CCNCc3n2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@@H]1Cc2cc(ncc2CN1)N1CCN(C[C@H]2CN(C[C@@H](C)O2)c2ccc(C#N)c3ncccc23)CC1 |r|
C[C@@H]1CN(C[C@H](CN2CCN(CC2)c2cc3[C@@H](C)NCCc3cn2)O1)c1ccc(C#N)c2ncccc12 |r|
C[C@H]1Cc2cnc(cc2CN1)N1CCN(C[C@H]2CN(C[C@@H](C)O2)c2ccc(C#N)c3ncccc23)CC1 |r|
C[C@@H]1Cc2cnc(cc2CN1)N1CCN(C[C@H]2CN(C[C@@H](C)O2)c2ccc(C#N)c3ncccc23)CC1 |r|
CC(C)c1nc(ccc1-c1cc(C)c2nc(C)cn2c1)N1CCC(N)CC1
CCc1nc(ccc1-c1cc(C)c2nccn2c1)N1CCC(CC1)N1C[C@@H](N)[C@@H](C1)OC |r|
CCc1nc(ccc1-c1cc(C)c2nc(C)cn2c1)N1CCC(C)(N)CC1
COc1nc(ccc1-c1cc(C)c2nccn2c1)N1CCC(CC1)N1CCNCC1
Fc1cc(Cl)cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
CCc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ccccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cccnn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
FC1(F)CN(CC[C@@H]1CNc1ncccn1)C(=O)OC1Cc2ccccc2C1 |r|
CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F
CCN(c1nc(c(s1)C#N)-c1ccc(F)cc1)c1n(CC)nc2ccc(nc12)-c1cnc(nc1)N1CCCS1(=O)=O
CCN(c1nc(c(s1)C#N)-c1ccc(F)cc1)c1n(CC)nc2ccc(nc12)-c1cnc(nc1)N1CCC(O)CC1
CCN(c1nc(c(s1)C#N)-c1ccc(F)cc1)c1n(CC)nc2ccc(nc12)-c1cnc(nc1)N1CC[C@H](O)C1
CCN(c1nc(c(s1)C#N)-c1ccc(F)cc1)c1n(CC)nc2ccc(nc12)-c1cnc(nc1)N1CCOCC1
Cc1cc(F)ccc1Oc1ccc(cc1C(=O)Nc1ccc(F)c(c1)C(N)CC(N)=O)C(F)(F)F
Cc1cc(F)ccc1Oc1ccc(cc1C(=O)Nc1ccc(F)c(c1)C(N)C(N)=O)C(F)(F)F
Cc1cc(F)ccc1Oc1ccc(cc1C(=O)Nc1ccc(F)c(c1)C(N)CCO)C(F)(F)F
Cc1cc(F)ccc1Oc1cc(C2CC2)c(cc1C(=O)Nc1ccnc(OC[C@H](O)CO)c1)C(F)(F)F |r|
Cc1cc(F)ccc1Oc1cc(c(Cl)cc1C(=O)Nc1ccnc(OC[C@H](O)CO)c1)C(F)(F)F |r|
Cc1cc(F)ccc1Oc1cc(c(Cl)cc1C(=O)Nc1cnnc(OC[C@H](O)CO)c1)C(F)(F)F |r|
Cc1cc(F)ccc1Oc1cc(c(Cl)cc1C(=O)Nc1ccc(F)c(OC[C@H](O)CN)c1)C(F)(F)F |r|
Cc1cc(F)ccc1Oc1cc(C2CC2)c(cc1C(=O)Nc1ccc(F)c(OC[C@H](O)CNC(=O)CO)c1)C(F)(F)F |r|
Cc1cc(F)ccc1Oc1cc(ccc1C(=O)Nc1ccn(COP(O)(O)=O)c(=O)c1)C(F)(F)F
Cc1cccc(n1)-n1nccc1-c1ccc2ncsc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ccnn2c1
Cc1cccc(n1)-n1nccc1-c1cnn2ccnc2c1
Cc1cccc(n1)-n1nccc1-c1cnc2ccnn2c1
Cc1cccc(n1)-n1nccc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2nnc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2n1
OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc4OC[C@@H](Oc34)c3ccc(Cl)cc3F)n(C[C@@H]3CCO3)c2c1 |r|
OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc4OC[C@@H](Oc34)c3ccc(Cl)cc3F)n(C[C@@H]3CCO3)c2n1 |r|
OC(=O)c1ccc2nc3CN4CCN(C[C@@H]4C([C@@H]4CCO4)n3c2c1)c1cccc2OC[C@@H](Oc12)c1ccc(Cl)cc1F |r|
OC(=O)c1ccc2nc(CN3CCC(CC3)c3cccc4OCC(Oc34)c3ccc(Cl)cc3F)n(C[C@@H]3CCO3)c2n1 |r|
C[C@@]1(Oc2cccc(C3CCN(Cc4nc5ccc(cc5n4C[C@@H]4CCO4)C(O)=O)CC3)c2O1)c1ccc(Cl)cc1F |r|
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CC3CC(C2)N3)cn1
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CC3CC(C2)N3C)cn1
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCP(C)(=O)CC2)cn1
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCOCC2)cn1
COc1ccc(CN2CCCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cc3CCCn3n2)cn1
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)CC2)cn1
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)N2CCN(C)C(=O)C2)cn1
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCNc1ccccc1
CN(CC#Cc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(CO)n1)c1ccc(cc1)S(N)(=O)=O
CC(=O)Nc1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(n2)C(N)=O)c1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCNc1ccc(cc1)C(N)=O
CC(O)c1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
CP(C)(=O)c1ccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)cc1
N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)C#CCOc1cccc(CC(N)=O)c1
CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C3CCN(CC3)C
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(O)cc1
CC(C)COc1ccc(CNC(=O)N(Cc2ncc(F)cn2)C2CCN(C)CC2)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCCF)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OC(C)(C)C)cc1
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)nc1
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cn1
CC(C)OCc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
CC1(C)Cc2cc(CNC(=O)N(Cc3ccc(F)cn3)C3CCNCC3)ccc2O1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OC(C)(C)Cc2c1
CC(C)C(O)Cc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)c(F)c1
CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc2OC(C)(C)Cc2c1
CC(C)OCc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
CC(C)C1Cc2cc(CNC(=O)N(Cc3ccc(F)cn3)C3CCN(C)CC3)ccc2O1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OC(CF)CF)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OCCc2c1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(C)(C)F)cc1
CCN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OC(C)(C)Cc2c1
CCOc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
CC(C)c1cc2cc(CNC(=O)N(Cc3ccc(F)cn3)C3CCN(C)CC3)ccc2o1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCCC(F)(F)F)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
CN1CCC(CC1)N(Cc1ncc(F)cc1F)C(=O)NCc1ccc2OC(C)(C)Cc2c1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCCCCF)cc1
CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
CCN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1cc2CC(C)(C)Oc2c(Cl)c1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)F)cc1
CN1CCC(CC1)N(Cc1ncc(F)cc1F)C(=O)NCc1ccc(OC(C)(C)C)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCCCC(F)(F)F)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OC(Cc2c1)C(F)(F)F
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)nn2)C2CCN(C)CC2)cc1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OC(C)(C)CCc2c1
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OC(C)(C)C=Cc2c1 |c:30|
COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(SCc3ccncc3)nnc12 |t:7|
COC(=O)CC[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-n2c(SCCN3CCC(O)CC3)nnc12 |t:7|
Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6|
COc1cc2nccc(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)c2cc1C(=O)NCCF
COc1cc2nccc(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)c2cc1C(=O)NCC(F)F
COc1cc2nccc(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)c2cc1C(=O)NCC(F)(F)F
COc1cc2nccc(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)c2cc1C(=O)NCC#N
COc1cc2nccc(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)c2cc1C(=O)NCCC#N
NC(=O)c1cc2c(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)ccnc2cc1OCCF
NC(=O)c1cc2c(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)ccnc2cc1OCC(F)F
NC(=O)c1cc2c(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)ccnc2cc1OCC(F)(F)F
NC(=O)c1cc2c(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)ccnc2cc1OCC#N
NC(=O)c1cc2c(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)ccnc2cc1OCCO
NC(=O)c1cc2c(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)ccnc2cc1OCC1(N)CC1
NC(=O)c1cc2c(Oc3c(F)cc(NC(=O)NC4CC4)c(Cl)c3F)ccnc2cc1OCCC#N
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4
Cc1cccc(n1)CCN2CCC(CC2)C(=O)c3ccc(cc3)NS(=O)(=O)C
COc1ccc(-c2noc(n2)-c2ccc3n(CC(C)(C)O)nnc3c2)c(C)c1
CC(C)n1nnc2cc(ccc12)-c1nc(no1)-c1cccc2CCCOc12
CCC1(CC)CC(=O)c2cc(ccc2O1)-c1nc(no1)-c1cn[nH]c1
O=C1Cc2ccc(cc2N1)-c1noc(n1)-c1ccc(NCC2CC2)c(c1)C#N
CC(F)(F)CNc1ccc(cc1C#N)-c1nnc(o1)-c1ccc2[nH]cnc2c1
CC(C)Nc1ccc(cc1C#N)-c1nc(no1)-c1ccc2nonc2c1
CC(C)Oc1ccc(cc1C#N)-c1ncc(cn1)-c1cccnc1
CC(C)Oc1ccc(cc1C#N)-c1ncc(cn1)-c1ccccn1
CC(C)Nc1ccc(cc1C#N)-c1ncc(cn1)-c1ccnc(O)c1
CC(C)Oc1ccc(cc1C#N)-c1ncc(cn1)-c1ccnc(O)c1
OC[C@@H](O)CNc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
OC[C@@H](O)CNc1nnc(-c2c(O)cc(cc2F)C(F)(F)F)c2ccccc12 |r,wU:2.2,(6.67,5.77,;5.33,5,;5.33,3.46,;6.67,2.69,;4,2.69,;4,1.15,;2.66,.38,;1.34,1.15,;0,.39,;0,-1.15,;-1.33,-1.92,;-2.67,-1.15,;-2.67,.39,;-4,-1.92,;-4,-3.46,;-2.67,-4.23,;-1.33,-3.46,;0,-4.23,;-5.33,-4.23,;-6.67,-3.46,;-5.33,-5.77,;-6.67,-5,;1.34,-1.92,;1.34,-3.45,;2.66,-4.22,;3.99,-3.45,;3.99,-1.92,;2.66,-1.15,)|
O[C@@H]1CC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
O[C@H]1CCC[C@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
O[C@@H]1CCC[C@@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
O[C@H]1CCCC[C@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
O[C@@H]1CCCC[C@@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r|
C[C@@]1(O)C[C@@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccccc12 |r,wU:1.0,wD:4.6,1.1,(6.94,.27,;6.17,1.6,;7.71,1.6,;4.68,1.2,;4.29,2.69,;5.77,3.09,;2.95,3.46,;1.62,2.69,;.29,3.46,;-1.04,2.7,;-1.04,1.16,;-2.38,.39,;-2.38,-1.15,;-3.71,-1.92,;-5.05,-1.15,;-5.05,.39,;-3.71,1.16,;-3.71,2.7,;-6.38,-1.92,;-7.71,-1.15,;-6.38,-3.46,;-7.71,-2.69,;.29,.39,;.29,-1.15,;1.62,-1.91,;2.95,-1.15,;2.95,.39,;1.62,1.16,)|
C[C@@]1(O)CC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2ccc(Cl)cc2O)c2ccncc12 |r|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2c(O)cc(cc2F)C(F)(F)F)c2ccncc12 |r,wD:5.7,1.0,(6.67,5.67,;5.33,4.9,;4,5.67,;2.67,4.9,;2.67,3.36,;4,2.59,;5.33,3.36,;4,1.05,;2.66,.28,;1.34,1.05,;0,.29,;0,-1.25,;-1.33,-2.02,;-2.67,-1.25,;-2.67,.29,;-4,-2.02,;-4,-3.56,;-2.67,-4.33,;-1.33,-3.56,;0,-4.33,;-5.33,-4.33,;-6.1,-3,;-4.56,-5.67,;-6.67,-5.1,;1.34,-2.02,;1.34,-3.56,;2.66,-4.32,;3.99,-3.56,;3.99,-2.02,;2.66,-1.25,)|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2c(O)cc(Cl)cc2F)c2ccncc12 |r,wD:5.7,1.0,(6,5,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;3.33,1.92,;4.67,2.69,;3.33,.38,;2,-.39,;.67,.38,;-.66,-.38,;-.66,-1.92,;-2,-2.69,;-3.33,-1.92,;-3.33,-.38,;-4.67,-2.69,;-4.67,-4.23,;-6,-5,;-3.33,-5,;-2,-4.23,;-.66,-5,;.67,-2.69,;.67,-4.22,;2,-4.99,;3.33,-4.22,;3.33,-2.69,;2,-1.92,)|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2ccc(OC(F)(F)F)cc2O)c2ccncc12 |r|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C2CC2)c2ccncc12 |r|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2c(O)cc(cc2F)C(F)(F)F)c2ccncc12 |r,wU:1.0,wD:6.7,(6.67,2.59,;5.33,3.36,;5.33,4.9,;4,5.67,;2.67,4.9,;2.67,3.36,;4,2.59,;4,1.05,;2.66,.28,;1.34,1.05,;0,.29,;0,-1.25,;-1.33,-2.02,;-2.67,-1.25,;-2.67,.29,;-4,-2.02,;-4,-3.56,;-2.67,-4.33,;-1.33,-3.56,;0,-4.33,;-5.33,-4.33,;-6.1,-3,;-4.56,-5.67,;-6.67,-5.1,;1.34,-2.02,;1.34,-3.56,;2.66,-4.32,;3.99,-3.56,;3.99,-2.02,;2.66,-1.25,)|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2ccc(OC(F)(F)F)cc2O)c2ccncc12 |r|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2c(O)cc(Cl)cc2F)c2ccncc12 |r,wU:1.0,wD:6.7,(6,1.92,;4.67,2.69,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;3.33,1.92,;3.33,.38,;2,-.39,;.67,.38,;-.66,-.38,;-.66,-1.92,;-2,-2.69,;-3.33,-1.92,;-3.33,-.38,;-4.67,-2.69,;-4.67,-4.23,;-6,-5,;-3.33,-5,;-2,-4.23,;-.66,-5,;.67,-2.69,;.67,-4.22,;2,-4.99,;3.33,-4.22,;3.33,-2.69,;2,-1.92,)|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2ccc(Cl)cc2O)c2ccncc12 |r|
COc1ccc(COc2cc(ccc2-c2nnc(N[C@@H]3CC[C@@H](O)C3)c3cnccc23)C(F)(F)F)cc1 |r|
O[C@H]1CC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
C[C@]1(O)CC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
CC(C)(O)CNc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12
CC(C)(O)CNc1nnc(-c2c(O)cc(Cl)cc2F)c2ccncc12 |(5.44,4.51,;4.67,3.18,;3.9,4.51,;6,2.41,;3.33,2.41,;3.33,.87,;2,.1,;.67,.87,;-.66,.11,;-.66,-1.43,;-2,-2.2,;-3.33,-1.43,;-3.33,.11,;-4.67,-2.2,;-4.67,-3.74,;-6,-4.51,;-3.33,-4.51,;-2,-3.74,;-.66,-4.51,;.67,-2.2,;.67,-3.74,;2,-4.5,;3.33,-3.74,;3.33,-2.2,;2,-1.43,)|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2ccc(F)cc2O)c2ccncc12 |r|
O[C@@H]1CCCC[C@H]1Nc1nnc(-c2c(O)cccc2F)c2ccncc12 |r,wU:1.0,wD:6.7,(5.33,1.93,;4,2.7,;4,4.24,;2.67,5.01,;1.33,4.24,;1.33,2.7,;2.67,1.93,;2.67,.39,;1.33,-.38,;,.39,;-1.33,-.38,;-1.33,-1.92,;-2.67,-2.69,;-4,-1.92,;-4,-.38,;-5.33,-2.69,;-5.33,-4.23,;-4,-5,;-2.67,-4.23,;-1.33,-5.01,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,)|
O[C@@H]1CCCC[C@@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
O[C@H]1CCCC[C@H]1Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
O[C@@H]1CCC[C@@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
O[C@@H]1CC[C@@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
OC[C@@H](O)CNc1nnc(-c2ccc(cc2O)C(F)(F)F)c2ccncc12 |r|
O[C@H]1CCC[C@H](C1)Nc1nnc(-c2ccc(cc2O)C(F)(F)F)c2cccnc12 |r|
C[C@@H]1COc2cccnc2[C@@H]1CN |r|
CNC[C@@H]1C[C@@H](C)Oc2cccnc12 |r|
CNC[C@@H]1C[C@H](C)Oc2cccnc12 |r|
C[C@H]1Oc2cc(F)cnc2[C@@H]1CN |r|
NCC1CCSc2cccnc12
Cc1ccc2SCC(CN)c2n1
Cc1ccc2SCCC(CN)c2n1
C[C@@H]1C[C@@H](CN)c2ncccc2S1 |r|
C[C@H]1Sc2cccnc2[C@@H]1CN |r|
C[C@@H]1Sc2cccnc2[C@@H]1CN |r|
C[C@@H]1C[C@@H](CN)c2nc(C)ccc2O1 |r|
CC[C@H]1Oc2cccnc2[C@@H]1CN |r|
CC1(C)Oc2cccnc2C1CN
NC[C@H]1C[C@H](Oc2cccnc12)c1ccccc1 |r|
NC[C@@H]1C[C@H](Oc2cccnc12)c1ccccc1 |r|
C[C@H]1Oc2cccnc2[C@@H]1CN |r|
C[C@H]1Oc2ccc(F)nc2[C@@H]1CN |r|
C[C@H]1Oc2c(nccc2C)[C@@H]1CN |r|
C[C@H]1Oc2ccc(C)nc2[C@@H]1CN |r|
C[C@H]1Oc2cc(Cl)cnc2[C@@H]1CN |r|
C[C@H]1Oc2ccc(Cl)nc2[C@@H]1CN |r|
NC[C@@H]1CCSc2cccnc12 |r|
NC[C@H]1CSc2cccnc12 |r|
NC[C@@H]1CSc2cccnc12 |r|
CC[C@@H]1Oc2cccnc2[C@H]1CN |r|
CNCC1CCSc2cccnc12
CNC[C@@H]1[C@@H](C)Oc2cccnc12 |r|
CNC[C@@H]1C[C@@H](C)Oc2ccc(C)nc12 |r|
CNC[C@@H]1[C@@H](C)Oc2ccc(C)nc12 |r|
CNC[C@@H]1[C@@H](C)Oc2cc(F)cnc12 |r|
CNC[C@@H]1[C@@H](C)Oc2cc(Cl)cnc12 |r|
CNC[C@@H]1[C@@H](C)Oc2c1nccc2C |r|
NCC1c2ncccc2OC11CC1
CNCC1c2nc(C)ccc2OC1(C)C
Cc1ccc2OC(C)(C)C(CN)c2n1
C[C@H]1Oc2c(nc(C)cc2C)[C@@H]1CN |r|
COc1ccc2CCCC(CN)c2n1
Cc1ccc2OC3(CC3)C(CN)c2n1
NC[C@H]1c2ncccc2OC11CC1 |r|
CC(Cc1ccc(cc1)C(F)(F)F)NCCCc1ccc(N)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc2[nH]ccc2c1
COc1ccc(CC(C)NCCCc2ccc(N)cc2)cc1
COc1ccc(CC(C)NCCCc2ccc(cc2)[N+]([O-])=O)cc1
CC(Cc1ccc(F)c(F)c1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(Cc1ccc(F)c(F)c1)NCCCc1ccc(N)cc1
CC(Cc1ccc(Cl)cc1)NCCCc1ccc(N)cc1
CC(Cc1ccc(Cl)cc1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(Cc1ccc(F)cc1)NCCCc1ccc(NC(C)=O)cc1
FCC(Cc1ccc(cc1)-c1cncnc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(NC=O)cc1
FCC(Cc1ccc(NC=O)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(NC=O)cc1)N(CCCc1ccc(F)cc1)C=O
CC(Cc1ccc(NC=O)cc1)NCCCc1ccccc1
Nc1ccc(CC(CF)NCCCc2ccc(F)cc2)cc1
FCC(Cc1ccc(cc1)-c1cccnc1)NCCCc1ccc(F)cc1
FCC(Cc1ccc(Br)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(NC=O)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(F)cc1)NCCCc1c[nH]c2ccccc12
CC(Cc1ccc(F)cc1)NCCCc1ccc(N)cc1
CC(Cc1ccc(F)c(F)c1)NCCCc1ccncc1
FCC(Cc1ccccc1)NCCCc1ccccc1
FCC(Cc1ccc(F)cc1)NCCCc1ccccc1
FCC(Cc1ccccc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(N)cc1)NCCCc1ccccc1
CC(Cc1ccc(N)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccccc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccc(F)cc1
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccc(Br)cc1
O=[N+]([O-])c2ccc(CCCNC(CF)Cc1ccc(F)cc1)cc2
CC(Cc1ccc(cc1)[N+]([O-])=O)NCCCc1ccc(Cl)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccccc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1
OCC(Cc1ccc(F)cc1)NCCCc1ccc(F)cc1
FCC(Cc1ccc(F)cc1)NCCCc1ccnc2ccccc12
FCC(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1
FCC(Cc1ccc(F)cc1)NCCCc1ccc(F)cc1
OCC(Cc1ccc(F)cc1)NCCCc1ccc(Br)cc1
CCOC(=O)c1ccc(CCCNC(C)Cc2ccc(F)cc2)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(Cc1ccc(F)cc1)NCCCc1ccnc2ccccc12
CC(Cc1ccc(cc1)C(F)(F)F)NCCCc1ccncc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(cc1)-c1ccnn1C
CC(Cc1ccncc1)NCCCc1ccc(Br)cc1
CC(Cc1ccc(cc1)-c1cncnc1)NCCCc1ccc(Cl)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccncc1
CC(Cc1ccc(F)cc1)NCCCc1ccncc1
CC(Cc1ccncc1)NCCCc1ccc(O)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccc(I)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(I)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1
CC(Cc1ccncc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1
CC(Cc1ccc(F)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(cc1)-c1cccnc1)NCCCc1ccc(F)cc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)C(F)(F)F
CC(Cc1ccc(cc1)-c1cncnc1)NCCCc1ccc(F)cc1
CC(Cc1ccc(Br)cc1)NCCCc1ccc(F)cc1
CC(Cc1ccccc1)NCCCc1ccncc1
CCC(Cc1ccccc1)NCCCc1ccc(O)cc1
CC(Cc1ccc(cc1)C(F)(F)F)NCCCc1ccc(O)cc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)-c1cccnc1
CC(Cc1ccccc1)NCCCc1ccc(I)cc1
CC(Cc1ccccc1)NCCCc1ccc(S)cc1
CC(Cc1ccccc1)NCCCc1ccc(Br)cc1
CC(Cc1ccccc1)NCCCc1ccc(N)cc1
CC(Cc1ccccc1)NCCCc1ccc(cc1)[N+]([O-])=O
CC(Cc1ccccc1)NCCCc1ccc(O)cc1
[H][C@@]1(C[C@]2([H])CN(C[C@@H](O)c3ccc(O)cn3)C[C@]2([H])C1)Oc1ccccc1F |r|
[H][C@@]1(C[C@]2([H])CN(C[C@H](O)c3ccc(O)cn3)C[C@]2([H])C1)Oc1ccccc1F |r|
OC(CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1F)c1ccc(O)cn1 |r|
OC(CN1C[C@@H]2C[C@H](C[C@@H]2C1)Oc1ccccc1)c1ccc(O)cn1 |r|
OC(CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1ccc(O)cn1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1ccc2NC(=O)CCc2c1 |r|
O[C@@]12C[C@H](C[C@@H]1CN(CC(=O)c1ccc3NC(=O)CCc3c1)C2)Oc1ccccc1 |r|
O[C@H](CN1C[C@@H]2C[C@@H](Oc3ccccc3)[C@@H](O)[C@]2(O)C1)c1ccc2NC(=O)CCc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@H](C[C@]2(O)C1)Oc1ccccc1F)c1ccc2NC(=O)CCc2c1 |r|
O[C@H](CN1C[C@H]2C[C@H](C[C@]2(O)C1)Oc1ccccc1F)c1ccc2NC(=O)CCc2c1 |r|
O[C@H](CN1C[C@@H]2C[C@H](C[C@]2(O)C1)Oc1ccccc1F)c1cc(F)c2NC(=O)CCc2c1 |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1ccc2NC(=O)CCCc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1ccc2[nH]c(=O)ccc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc2CCC(=O)Nc2cc1F |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1ccc2NC(=O)SCc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2NC(=O)SCc2c1 |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2NC(=O)SCc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1ccc2[nH]c(=O)sc2c1 |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1F)c1ccc2[nH]c(=O)sc2c1 |r|
O[C@H](CN1C[C@@H]2C[C@H](C[C@]2(O)C1)Oc1ccc(F)cc1F)c1ccc2[nH]ncc2c1 |r|
O[C@H](CN1C[C@@H]2C[C@H](C[C@]2(O)C1)Oc1cccc(F)c1F)c1ccc2NC(=O)CCc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2NC(=O)OCc2c1 |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1F)c1cc(F)c2NC(=O)CCc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2NC(=O)CCc2c1 |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2NC(=O)CCc2c1 |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2NC(=O)OCc2c1 |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc2COC(=O)Nc2cc1F |r|
O[C@@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2[nH]c(=O)sc2c1 |r|
O[C@H](CN1C[C@H]2C[C@@H](C[C@@]2(O)C1)Oc1ccccc1)c1cc(F)c2[nH]c(=O)sc2c1 |r|
O[C@H](CN1C[C@H]2C[C@H](Oc3ccccc3F)[C@H](O)[C@@]2(O)C1)c1cnc2[nH]ccc2c1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1cccn1 |r|
Cc1noc2cc3c4sc(cc4c4cc(F)c(cc4c3cc12)C#N)C(=O)N1C2CCC1CC(N)C2
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
C[C@@]12CCC(CN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(c(F)cc13)-c1nc(O)nc3cccc(C#C)c13)N2 |r,wU:19.21,1.0,wD:13.13,1.1,3.3,(-2.75,-12.42,;-1.42,-13.19,;-.63,-14.11,;.53,-14.11,;1.25,-13.19,;1.25,-14.73,;-.08,-15.5,;-1.42,-14.73,;-.08,-17.04,;1.25,-17.81,;1.25,-19.35,;2.58,-20.12,;3.92,-19.35,;5.25,-20.12,;4,-21.02,;4.48,-22.49,;6.02,-22.49,;6.5,-21.02,;7.74,-20.12,;7.27,-18.65,;8.04,-17.32,;5.73,-18.65,;-.08,-20.12,;-1.42,-19.35,;-2.75,-20.12,;-2.75,-21.66,;-4.09,-19.35,;-4.09,-17.81,;-5.42,-17.04,;-2.75,-17.04,;-1.42,-17.81,;-5.42,-20.12,;-6.75,-19.35,;-8.09,-20.12,;-9.42,-19.35,;-8.09,-21.66,;-6.75,-22.43,;-6.75,-23.97,;-5.42,-24.74,;-4.09,-23.97,;-4.09,-22.43,;-2.6,-22.83,;-1.11,-23.22,;-5.42,-21.66,;-.08,-12.42,)|
COc1ccc(cc1O)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1noc2cc(c(F)cc12)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(6.61,5.21,;6.13,3.74,;7.04,2.49,;6.13,1.25,;4.67,1.72,;3.33,.95,;2,1.72,;2,3.26,;.67,4.03,;3.33,4.03,;4.67,3.26,;.67,.95,;-.67,1.72,;-.67,3.26,;-2,.95,;-2,-.59,;-.67,-1.36,;.67,-.59,;2,-1.36,;3.33,-.59,;4.67,-1.36,;4.67,-2.9,;6,-3.67,;7.34,-4.44,;3.33,-3.67,;3.33,-5.21,;2,-2.9,;-3.33,-1.36,;-4.67,-.59,;-6,-1.36,;-6,-2.9,;-7.34,-3.67,;-4.67,-3.67,;-3.33,-2.9,)|
COc1cc(F)c(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(7.34,3.85,;6,4.62,;4.67,3.85,;3.33,4.62,;2,3.85,;.67,4.62,;2,2.31,;3.33,1.54,;4.67,2.31,;6,1.54,;.67,1.54,;-.67,2.31,;-.67,3.85,;-2,1.54,;-2,,;-.67,-.77,;.67,,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-3.85,;3.33,-3.08,;3.33,-4.62,;2,-2.31,;-3.33,-.77,;-4.67,,;-6,-.77,;-6,-2.31,;-7.34,-3.08,;-4.67,-3.08,;-3.33,-2.31,)|
NC1CCN(CC1)c1cc(O)c(-c2ccc(O)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(C)(N)CC1
COc1ccc(cc1O)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1ncc(-c2ccc(OC)c(O)c2)c(-c2ccc(C#N)c(F)c2)c1C#N
COc1ccc(cc1O)-c1cnc(N2CCC(C)(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1cc2onc(C)c2cc1F)N1CCC(N)CC1 |(-2,4.03,;-.67,3.26,;-.67,1.72,;-2,.95,;-2,-.59,;-.67,-1.36,;.67,-.59,;2,-1.36,;3.33,-.59,;4.67,-1.36,;4.67,-2.9,;6,-3.67,;7.34,-4.44,;3.33,-3.67,;3.33,-5.21,;2,-2.9,;.67,.95,;2,1.72,;3.33,.95,;4.67,1.72,;6.13,1.25,;7.04,2.49,;6.13,3.74,;6.61,5.21,;4.67,3.26,;3.33,4.03,;2,3.26,;.67,4.03,;-3.33,-1.36,;-4.67,-.59,;-6,-1.36,;-6,-2.9,;-7.34,-3.67,;-4.67,-3.67,;-3.33,-2.9,)|
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1cc(O)c(F)c(F)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(C)c(O)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(Cl)c(O)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OC2CCCC2)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-6.61,-5.21,;-6.13,-3.74,;-7.04,-2.49,;-6.13,-1.25,;-4.67,-1.72,;-3.33,-.95,;-2,-1.72,;-2,-3.26,;-.67,-4.03,;-3.33,-4.03,;-4.67,-3.26,;-.67,-.95,;-.67,.59,;.67,1.36,;2,.59,;3.33,1.36,;3.33,2.9,;4.75,2.79,;5.3,1.84,;4.67,.59,;6,1.36,;6,2.9,;7.34,3.67,;4.67,3.67,;2,-.95,;3.14,-1.99,;2.52,-3.39,;.99,-3.23,;.67,-1.72,;-2,1.36,;-3.33,.59,;-4.67,1.36,;-4.73,2.97,;-6.05,3.76,;-7.37,4.55,;-3.33,3.67,;-3.33,5.21,;-2,2.9,)|
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-7.32,-3.73,;-5.81,-4.05,;-5.19,-5.45,;-3.65,-5.29,;-3.33,-3.79,;-2,-3.02,;-2,-1.48,;-3.33,-.71,;-4.42,.38,;-4.67,-1.48,;-4.67,-3.02,;-.67,-.71,;-.67,.83,;.67,1.6,;2,.83,;3.33,1.6,;3.33,3.14,;4.67,3.91,;6,3.14,;7.34,3.91,;6,1.6,;4.67,.83,;2,-.71,;3.14,-1.74,;2.52,-3.14,;.99,-2.98,;.67,-1.48,;-2,1.6,;-3.33,.83,;-4.67,1.6,;-4.73,3.22,;-6.05,4.01,;-7.37,4.8,;-3.33,3.91,;-3.33,5.45,;-2,3.14,)|
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(cc2)N2CCOCC2)c2nccn12
CC(C)(O)Cc1ccc(c(F)c1)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-8,-2.31,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;-2.67,-3.85,;,-.77,;,.77,;1.33,1.54,;2.67,.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.08,;8,3.85,;6.67,1.54,;5.33,.77,;2.67,-.77,;3.81,-1.8,;3.19,-3.21,;1.65,-3.05,;1.33,-1.54,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;-4.1,3.09,;-5.44,3.84,;-6.79,4.59,;-4,1.54,;-5.33,.77,;-2.67,.77,)|
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC(F)(F)F)c(O)c2)c2nccn12
CC(C)(O)Cc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1C#N)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)c(O)c2)c2nccn12
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1cc2n(CC#N)ncc2cc1F)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)N1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1cccn1)C(=O)N1CCC(F)(F)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1cccn1)C(=O)NC1CCOCC1 |r|
Cc1ccc(cc1O)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)NC1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)N1CCOCC1)C(=O)NC1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1cccn1 |r|
CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC
Cc1[nH]ncc1-c1ccc2cc(C(=O)NCc3ccccc3F)n(C)c2n1
COc1cccc(c1)C1(CC1)NC(=O)c1cc2ccc(nc2n1C)-c1cn[nH]c1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Clc1ccc(cc1)-c1c2OCCCC(NS(=O)(=O)c3ccc(Cl)cc3)c2nn1-c1ccccc1Cl
Cc1ccc(C)c(OCCCC(C)(C)C(=O)NC2CCCOc3c2nn(c3-c2ccc(Cl)cc2)-c2ccccc2Cl)c1
CC(C)(C)OC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)C#Cc1ccccc1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)C#Cc1ccccc1 |r|
CC1CC1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)C#Cc1ccccc1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)C#Cc1cccc(F)c1 |r|
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1cccc(F)c1
Fc1cc(cnc1NC(=O)c1cc(NC(=O)C2(F)CC2)ccc1Cl)C#Cc1ccccc1
Fc1ccc(cc1)C#Cc1cnc(NC(=O)c2cc(NC(=O)C3CC3)ccc2Cl)c(F)c1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccc(F)cc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)C2CC2)ccc1Cl)C#Cc1ccccc1
Fc1cc(cnc1NC(=O)c1cc(NC(=O)C2COCCO2)ccc1Cl)C#Cc1ccccc1
Cc1cc(nc(C)c1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1cccc(F)c1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)C2CCO2)ccc1Cl)C#Cc1ccc(F)cc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)C2COCCO2)ccc1Cl)C#Cc1cccc(F)c1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)C2COCCO2)ccc1Cl)C#Cc1ccc(F)cc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccn1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C(=O)N1CC(F)(F)C1)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C(=O)NC(C)(C)CO)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C(=O)N1CC(C)(O)C1)C#Cc1cccc(F)c1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1noc(n1)C1CCOC1)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(OCC2CCOCC2)ccc1Cl)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(OC[C@H]2COCCO2)ccc1Cl)C#Cc1ccccc1 |r|
Cc1cc(cnc1NC(=O)c1cc(OCC2COCCO2)ccc1Cl)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(OC[C@@H]2COCCO2)ccc1Cl)C#Cc1ccccc1 |r|
COCCOc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl
Cc1cc(COc2ccccc2)ccc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl
C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1 |r|
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccc1
Cc1cc(cc(F)c1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccc1
CC(C)(C)OC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1c(F)cc(cc1F)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)C2COCCO2)ccc1Cl)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)C2CC(C)(O)C2)ccc1Cl)C#Cc1ccccc1 |(1.22,-1.33,;-.32,-1.33,;-1.09,-2.67,;-2.63,-2.67,;-3.4,-1.33,;-2.63,,;-1.09,,;-.32,1.33,;1.22,1.33,;1.99,,;1.99,2.67,;1.22,4,;1.99,5.33,;1.22,6.67,;1.99,8,;1.22,9.34,;3.53,8,;4.62,6.91,;5.71,8,;6.48,9.34,;7.25,8,;4.62,9.09,;3.53,5.33,;4.3,4,;3.53,2.67,;4.3,1.33,;-3.4,-4,;-4.17,-5.33,;-4.94,-6.67,;-6.48,-6.67,;-7.25,-8,;-6.48,-9.34,;-4.94,-9.34,;-4.17,-8,)|
CC1CC1C(=O)Nc1ccc(Cl)c(n1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1c(Cl)ccc(NC(=O)OC(C)(C)C)c1F)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)cc(F)c1Cl)C#Cc1ccccc1
C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1 |r|
CC(C)(C)OC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1Cl)C#Cc1ccccc1
CC(C)(C)OC(=O)Nc1ccc(Cl)c(n1)C(=O)Nc1ncc(cc1F)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1cnccn1
CC(C)(C)OC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1c(F)cc(nc1F)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1cccnc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccc1F
Cc1cc(cnc1NC(=O)c1nc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccc1
Cc1cc(cnc1N1Cc2ccc(NC(=O)OC(C)(C)C)cc2C1=O)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccncc1
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
COc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccc1
Cc1cc(nc(C)c1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccc1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1c(C)cc(nc1C)C#Cc1cccc(F)c1 |r|
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F)C#Cc1ccccc1
Cc1nc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)cnc1Cl)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C#N)C#Cc1ccccc1
Fc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1noc(n1)C1CCOC1)C#Cc1ccccc1
Fc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1cnn(c1)C1CCOCC1)C#Cc1ccccc1
Fc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1cnn(c1)C1COC1)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1nc(no1)C1CC1)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1cnn(c1)C1COC1)C#Cc1ccccc1
Cn1cc(cn1)-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C(=O)N1CC(C)(C)C1)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1ccnn1C)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1cnn(CCN2CCOCC2)c1)C#Cc1ccccc1
Cc1noc(n1)-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
CCn1ccc(n1)-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1cnn(c1)C1CCOCC1)C#Cc1ccccc1
Cc2cc(C#Cc1ccccc1)cnc2NC(=O)c5cc(c4cnn(C3CCOC3)c4)ccc5Cl
Cc1nc(C)c(s1)-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)C#Cc1ccccc1
Cc1nn(C)cc1-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)C#Cc1ccccc1
CC1CCCN1C(=O)c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1nc(C)c(s1)-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C(=O)N1CC(O)C1)C#Cc1ccccc1
Cc1cc(C)n(n1)C(=O)c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C(=O)N1CC(F)C1)C#Cc1ccccc1
Cc1nn(C)cc1-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1ncc(s1)-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1cnn(C)c1-c1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1C)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1nnco1)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)-c1cnn(C)c1)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(ccc1Cl)C(=O)N1CC(O)(C1)C(F)(F)F)C#Cc1ccccc1
Fc1cc(cnc1NC(=O)c1cc(OC[C@H]2COCCO2)ccc1Cl)C#Cc1ccccc1 |r|
Cc1cc(cnc1N1Cc2ccc(OCC3COCCO3)cc2C1=O)C#Cc1ccccc1
Cc1cc(cnc1N1Cc2ccc(OCC3CCOCC3)cc2C1=O)C#Cc1ccccc1
Cc1cc(COc2ccc(Cl)c(c2)C(=O)Nc2ncc(cc2C)C#Cc2ccccc2)on1
Cc1cc(cnc1NC(=O)c1cc(OCCN2CCOCC2)ccc1Cl)C#Cc1ccccc1
Cc1cc(cnc1NC(=O)c1cc(OCC2CCOC2)ccc1Cl)C#Cc1ccccc1
Cc1nc(OCc2ccccc2)cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl
Cc1cc(OCc2ccccc2)cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl
Cc1cc(OCc2ccccc2)cc(C)c1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl
Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(N)cc1Cl
Cc1nc(OCc2ccccc2)ccc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl
CC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ccc(OCc2ccccc2)cc1C
CC(C)(C)OC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)-c1cnn(c1)-c1ccc(F)cc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)-c1cnn(c1)-c1ccccc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)-c1cnn(c1)-c1ccc(F)cc1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)-c1noc(n1)-c1ccc(F)cc1
CC(C)(C)OC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)-c1cc(no1)-c1ccccc1
CC(C)(C)OC(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ncc(cc1F)-c1cnn(c1)-c1ccccc1
Fc1ccc(cc1)-n1ccc(n1)-c1cnc(NC(=O)c2cc(NC(=O)C3COCCO3)ccc2Cl)c(F)c1
Cc1cc(cnc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)-c1ccc(s1)-c1ccccc1
CC(C(N)c1ccccc1-c1noc2ccccc12)c1ccccn1 |w:2.2,1.0|
CS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
N[C@@H](Cc1ccccn1)c1ccccc1-c1noc2cc(ccc12)C#N |r|
N[C@@H](Cc1ccccn1)c1ccccc1-c1noc2cc(CO)ccc12 |r|
Cc1ccc2c(noc2c1)-c1ccccc1[C@@H](N)Cc1ccccn1 |r|
Cc1ccc(-c2noc3ccccc23)c(c1)[C@@H](N)Cc1ccccn1 |r|
COCc1ccc2c(noc2c1)-c1ccccc1[C@@H](N)Cc1ccccn1 |r|
N[C@@H](Cc1ccccn1)c1ccccc1-c1noc2cc(CCO)ccc12 |r|
N[C@@H](Cc1ccccn1)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1cccc(Br)n1)c1ccccc1-c1noc2ccccc12 |r|
CC[C@H]([C@H](N)c1ccccc1-c1noc2ccccc12)c1ccccn1 |r|
Cc1cccnc1C[C@H](N)c1ccccc1-c1noc2ccccc12 |r|
CC(C)C([C@H](N)c1ccccc1-c1noc2ccccc12)c1ccccn1 |r|
CC(C)([C@H](N)c1ccccc1-c1noc2ccccc12)c1ccccn1 |r|
COCCNc1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
N[C@@H](Cc1ncccn1)c1ccccc1-c1noc2ccccc12 |r|
Cc1ccc(nc1C[C@H](N)c1ccccc1-c1noc2ccccc12)C#N |r|
Cn1nc(-c2ccccc2[C@@H](N)Cc2ccccn2)c2ccccc12 |r|
Cc1cccc(CC(N)c2ccccc2-c2nn(C)c3ccccc23)n1
N[C@@H](Cc1cccc(n1)C(F)(F)F)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1ncccc1F)c1ccccc1-c1noc2ccccc12 |r|
CC(C)n1nc(-c2ccccc2[C@@H](N)Cc2cccc(n2)C#N)c2ccccc12 |r|
N[C@@H](Cc1ccc(F)cn1)c1ccccc1-c1noc2ccccc12 |r|
COc1ccnc(C[C@H](N)c2ccccc2-c2noc3ccccc23)c1 |r|
N[C@@H](Cc1nc(ccc1F)C#N)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1nc(ccc1F)C(N)=O)c1ccccc1-c1noc2ccccc12 |r|
Cc1ccc(F)c(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
CN(C)C(=O)c1ccc(F)c(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
N[C@@H](Cc1ncccc1C#N)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1nc(CCO)ccc1F)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1nc(ccc1F)-c1cn[nH]c1)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1ccc(cn1)C#N)c1ccccc1-c1noc2cc(Br)ccc12 |r|
Cc1cccc(-c2noc3ccccc23)c1[C@@H](N)Cc1ccccn1 |r|
CN(C)C(=O)c1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
Cn1cc(cn1)-c1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
N[C@@H](Cc1cccc(n1)-c1cn[nH]c1)c1ccccc1-c1noc2ccccc12 |r|
Cc1ccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)nc1 |r|
N[C@@H](Cc1ccc(cn1)C#N)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1cccc(n1)C#N)c1ccccc1-c1noc2cc(ccc12)C#N |r|
CNc1cccc(C[C@H](N)c2ccccc2-c2noc3cc(ccc23)C#N)n1 |r|
N[C@@H](Cc1cccc(OCCO)n1)c1ccccc1-c1noc2cc(ccc12)C#N |r|
N[C@@H](Cc1cccc(CCO)n1)c1ccccc1-c1noc2ccccc12 |r|
CCc1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
CS(=O)(=O)c1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
N[C@@H](Cc1cccc(n1)C(N)=O)c1ccccc1-c1noc2ccccc12 |r|
CNC(=O)c1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
CN(C)C(=O)CCc1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
N[C@@H](Cc1cccc(n1)C#N)c1c(F)cccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1ccccn1)c1c(F)cccc1-c1noc2ccccc12 |r|
Cc1cccc(C[C@H](N)c2c(F)cccc2-c2noc3ccccc23)n1 |r|
Cc1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
COc1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
N[C@@H](Cc1cccc(n1)C#N)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1cc(Br)ccn1)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1cccc(n1)-c1ncco1)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1cccc(n1)N1CCCC1)c1ccccc1-c1noc2ccccc12 |r|
N[C@@H](Cc1cccc(N)n1)c1ccccc1-c1noc2ccccc12 |r|
COC(=O)Nc1cccc(C[C@H](N)c2ccccc2-c2noc3ccccc23)n1 |r|
Cc1ccc2c(noc2c1)-c1ccccc1[C@@H](N)Cc1nc(ccc1F)S(C)(=O)=O |r|
CS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ccccc2-c2noc3cc(Cl)ccc23)n1 |r|
N[C@@H](Cc1nc(ccc1F)C#N)c1ccccc1-c1noc2cc(Cl)ccc12 |r|
N[C@@H](Cc1nc(Br)ccc1F)c1ccccc1-c1noc2cc(ccc12)C#N |r|
Cc1ccc2c(noc2c1)-c1ccccc1[C@@H](N)Cc1nc(ccc1C)C#N |r|
Cc1ccc2c(noc2c1)-c1ccccc1[C@@H](N)Cc1nc(ccc1C)S(C)(=O)=O |r|
CS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ccccc2-c2noc3cc(F)ccc23)n1 |r|
CS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ccccc2-c2noc3ccc(F)cc23)n1 |r|
Cc1ccc(nc1C[C@H](N)c1ccccc1-c1noc2cc(Cl)ccc12)S(C)(=O)=O |r|
Cc1ccc(nc1C[C@H](N)c1ccccc1-c1noc2cc(F)ccc12)S(C)(=O)=O |r|
CS(=O)(=O)c1ccc(F)c(C[C@H](N)c2ccccc2-c2noc3c(F)cccc23)n1 |r|
NC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
NC(=O)C[C@@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
O=C(CC1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC(O)(CO)C1
O=C(CC1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)NCCO
CN(CCO)C(=O)CC1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CNC(=O)CC1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CN(C)C(=O)CC1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
NC(=O)CC1CN[C@@H](c2cc(Cl)c(Cl)cc2O)C1
O=C(CC1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC[C@@H](O)C1
O=C(CC1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC[C@H](O)C1
CN(C)C(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CNC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC(O)(CO)C1
C[C@@H](C(N)=O)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
C[C@H](C(N)=O)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC[C@@H](C(N)=O)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC[C@H](C(N)=O)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
O=C(CO)NC[C@@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
O=C(CO)NC[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC1(CC(N)=O)CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC(C)(C(N)=O)[C@@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC(C)(C(N)=O)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
NC(=O)C[C@@H]1CC[C@H](c2c(O)ccc(Cl)c2Cl)N1
Oc1ccc(Cl)c(Cl)c1[C@H]1C[C@@H](Cc2cn[nH]c2)CN1
Oc1ccc(Cl)c(Cl)c1[C@H]1C[C@@H](Cc2cc[nH]n2)CN1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC(O)C1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CCC(O)CC1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CCC[C@@H](O)C1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CCC[C@H](O)C1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC(CO)C1
CC1(O)CN(C(=O)C[C@H]2CN[C@@H](c3c(O)ccc(Cl)c3Cl)C2)C1
C[C@@H](CO)NC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
C[C@H](CO)NC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
C[C@@H](O)CNC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
C[C@H](O)CNC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC(C)(O)CNC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC[C@@H]1CO
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC[C@H]1CO
CC1(CO)CN(C(=O)C[C@H]2CN[C@@H](c3c(O)ccc(Cl)c3Cl)C2)C1
O=C(C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1)N1CC(CO)(CO)C1
CC(C)(CO)NC(=O)C[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC[C@H](C(N)=O)[C@@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
CC[C@@H](C(N)=O)[C@@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
COC[C@H](C(N)=O)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
COC[C@@H](C(N)=O)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
NC(=O)[C@@H](CO)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
NC(=O)[C@H](CO)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
NC(=O)[C@H](C1CC1)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
NC(=O)[C@@H](C1CC1)[C@H]1CN[C@@H](c2c(O)ccc(Cl)c2Cl)C1
c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CN(C4)C(=O)COCCc5cnn[nH]5
CC(OCCc1c[nH]nn1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
C[C@@H](OCCc1c[nH]nn1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
C[C@@H](Cc1cnn[nH]1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
C[C@H](Cc1cnn[nH]1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 |r|
OCc1cc([C@@H](O)c2ccccc2Cl)ccc1N1CC[C@H](Oc2ncccc2F)C1
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
[H][C@@]1(C[C@@]2([H])C[C@]3([H])C[C@@]([H])(C1)N2CC3=O)OC(=O)c1c[nH]c2ccccc12 |r,TLB:11:9:14.13:3.5,2:3:9.8:14.13,16:1:12:8.6.5,THB:14:6:12:11.1.2,15:14:9.8:3.5|
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(NS(=O)(=O)CC(F)(F)F)cc1)C(=O)N1CCCC1 |r,wU:5.8,wD:2.1,1.0,(13.27,5.92,;14.6,5.15,;14.6,3.61,;13.27,2.83,;13.27,1.28,;14.6,.51,;15.95,1.28,;15.95,2.83,;14.6,-1.03,;13.27,-1.79,;14.03,-3.13,;12.5,-.46,;11.93,-2.55,;10.6,-1.76,;9.26,-2.51,;9.25,-4.05,;7.91,-4.81,;7.89,-6.35,;6.35,-6.34,;9.43,-6.37,;7.88,-7.89,;6.54,-8.65,;5.2,-9.4,;7.3,-9.99,;5.78,-7.31,;10.58,-4.84,;11.91,-4.08,;15.93,5.92,;15.93,7.46,;17.27,5.15,;17.43,3.63,;18.93,3.31,;19.7,4.64,;18.67,5.79,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCCC1 |wU:1.0,5.8,wD:2.7,(5.83,-7.06,;5.83,-5.5,;4.5,-4.73,;4.5,-3.19,;3.16,-2.42,;1.83,-3.19,;1.83,-4.73,;3.16,-5.5,;.48,-2.39,;-.86,-3.16,;-.07,-4.51,;-2.2,-3.94,;-1.63,-1.81,;-.86,-.48,;-1.63,.86,;-3.18,.86,;-3.97,2.2,;-3.95,-.48,;-3.18,-1.81,;-3.97,-3.14,;7.16,-4.73,;7.16,-3.19,;8.51,-5.5,;9.85,-4.73,;11,-5.78,;10.37,-7.18,;8.84,-7.02,)|
CN(C)C(=O)C1CCN(CC1)c1nc2sc(cc2s1)C(=O)Nc1ccc2oc(C)nc2c1
Fc1ccc(nc1)-c1ccc(NC(=O)c2cc3sc(NCCN4CCOCC4)nc3s2)cc1
CC(C)n1c2sccc2c(O)c(C(=O)NCCCN2CCCCC2)c1=O
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)O)CC2)c2ccccc12
OC(=O)C(O)=O.COCCCN1CCC(O)(CC1)NC(=O)c1nn(C(C)C)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC2)C2CCC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CCCO)CC2)c2ccccc12
COCCCN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CCOCC3)CC2)c2ccccc12
OC(=O)C(O)=O.COCC(C)(C)CN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CC3(O)CCCC3)CC2)c2ccccc12
COCCCN1CCC(CC1)c1nc(no1)-c1nn(C(C)C)c2ccccc12
COCCCN1CCC(CC1)c1noc(n1)-c1nn(C(C)C)c2ccccc12
CN1Cc2ccccc2[C@H](N=C1CCc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F |r,c:11|
CN1Cc2ccccc2[C@@H](N=C1OCc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 |r,c:11|
CSc1ccc(cc1)[C@H]1N=C(OCc2ccc(NS(C)(=O)=O)cc2)N(C)Cc2ccccc12 |r,t:10|
COc1ccc(CN(CCN(C)CCNc2ccc([N+]([O-])=O)c3n[o+][n-]c23)c2ccccn2)cc1
c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(5.32,-5.97,;5.32,-7.51,;6.66,-8.28,;6.65,-9.83,;7.99,-10.6,;9.32,-9.82,;10.66,-10.59,;11.99,-9.81,;11.98,-8.26,;11.97,-6.72,;10.65,-7.5,;10.64,-5.96,;11.97,-5.19,;13.3,-5.95,;13.3,-7.49,;14.63,-8.25,;15.97,-7.48,;15.28,-6.35,;14.06,-7.27,;15.96,-5.94,;14.62,-5.17,;17.29,-8.27,;17.28,-9.81,;18.6,-10.59,;19.93,-9.84,;21.25,-10.62,;21.24,-12.16,;22.57,-12.94,;22.54,-14.49,;21.2,-15.24,;21.18,-16.78,;19.88,-14.45,;19.9,-12.92,;18.57,-12.13,;9.32,-8.28,;7.98,-7.51,)|
COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O
c1cc2c(nc1CNC34CCC(CC3)(OC4)C[C@@]5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
[H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3|
CN1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+]([O-])=O)c3nonc23)cc1
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F
CC1(C)C2=C3CC4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,6.5,7.27,c:3,10|
CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CC3)n(C3CCCNC3)c2n1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1)OCC1CCCO1
Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1
CC(C)(NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F)C(N)=O
CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C
COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
COc1cc2CCN(C)[C@H](Cc3ccc(O)c(Oc4ccc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)cc4)c3)c2cc1O |r|
CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12
FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)nc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(F)cc4)cc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(Cl)cc4F)cc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4cccc5cccnc45)cc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5ncsc5c4)cc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc5OCOc5c4)nc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(F)c5cccnc45)cc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)cc4)cc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)cc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)cc4)nc3c2=O)C1 |r|
COc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C5)C(C)C)c(=O)c4n3)c2n1 |r|
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
COc1ncc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(OC(F)F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(C)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ccc(CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(c1)-c1cnc(OC)nc1
COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1ncc(cn1)-c1cccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1cnc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Cc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
COc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
FC(F)(F)CCOc1ccc(cn1)C(=O)NCCc1ccccc1-c1cccnc1
FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
OCc1ccc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCOCC(F)(F)F)nc1
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F
COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1
Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)|
CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
CC(C)(O)c1ccc(cc1)-c1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1
CC(C)(O)COCc1cccc(Nc2sc(cc2C(N)=O)-c2c(F)cc(cc2F)C(C)(C)O)n1
NC(=O)c1cc(sc1Nc1cccc(CN2CCOCC2)n1)-c1ccccc1F
CC1(C(=Nc2c(ncnc2O1)N)c3ccc(cc3)C4CCC(CC4)CC(=O)O)C
Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r|
CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N
CCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r|
N[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(n2)C2CC2)c(nn1)C(N)=O |r|
CC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r|
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r|
Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1Cl |r|
N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r|
COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC |r|
CC(C)(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r|
CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r|
CC(C)c1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1C |r|
CCCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1OC |r|
COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r|
COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r|
CC(C)c1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1C
COc1ccc(Nc2cc(NCCN)nnc2C(N)=O)nc1C(C)C
CCCc1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1OC
CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F |r|
CC(C)c1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1F
C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2ccc(C)c(c2)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O |r|
CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r|
CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)-c2ccccc2)C1=O)N(C)C(C)C |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r|
COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r|
CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(N)n2)c(OC)c1
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2cnc(OC)c(NS(C)(=O)=O)c2)c(OC)c1
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NS(C)(=O)=O)n2)c(OC)c1
C[C@@H](N1CCn2nc(nc2C1)-c1ccc(nc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
O.OS(O)(=O)=O.C[C@@H](N1CCc2nc(sc2C1)-c1cncnc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O
C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1 |r|
CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|
CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|
O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1 |r|
NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|
NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
CN1Cc2ccc(cc2C1=O)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1 |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N(C)C1CCOCC1OC |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N(CCCO)C1CCOCC1OC |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N1CCC(CC1)c1ccccc1 |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N1CCC(CC1)c1ccc(cc1)C(O)=O |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1cccc(c1)C(O)=O |r|
[H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1cccc(c1)C(=O)NC |r|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N
c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 |r|
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 |r|
N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12 |r|
COCCn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Cl.C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1 |r|
Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 |r|
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccsc1
Cc1csc(c1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CNC(=O)O3)CC2)c1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccccc1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccc(F)cc1
Cn1cc(cn1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CNC(=O)O3)CC2)c1
Cn1cnc(c1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CNC(=O)O3)CC2)c1
Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1
CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |r,wU:8.7,wD:15.20,TLB:17:15:12:10.9.8,7:8:16.15.14:12,18:15:12:10.9.8,8:9:16:14.13.12,THB:17:9:16.15.14:12,8:13:16:10.17.9,(10.39,-6.25,;10.39,-7.79,;11.73,-8.57,;11.73,-10.12,;13.06,-10.89,;14.39,-10.13,;14.4,-8.59,;15.73,-10.9,;15.72,-12.44,;17.09,-13.12,;16.8,-14.53,;15.79,-15.51,;14.44,-14.87,;14.59,-13.45,;15.26,-14.93,;16.69,-15.6,;16.42,-17.14,;17.81,-14.58,;18.17,-16.01,;18.57,-17.5,;19.27,-14.93,;10.38,-10.88,;11.15,-12.22,;9.6,-12.21,;9.05,-10.12,;9.05,-8.57,;7.72,-10.89,;6.39,-10.12,;6.39,-8.58,;5.05,-10.9,;5.06,-12.44,;3.73,-13.22,;6.4,-13.2,;7.72,-12.43,;9.05,-13.2,)|
OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:13.17,10.10,(19.48,-15.99,;19.06,-17.47,;17.61,-18,;17.66,-19.52,;19.13,-19.96,;20,-18.69,;21.54,-18.64,;16.44,-20.46,;16.44,-22,;15.1,-19.69,;13.77,-20.46,;13.77,-22,;12.44,-22.77,;11.1,-22,;11.1,-20.46,;12.43,-19.69,;9.77,-22.77,;8.43,-22.01,;8.43,-20.47,;7.1,-22.78,;5.77,-22.02,;4.44,-22.79,;3.1,-22.02,;4.44,-24.33,;5.77,-25.1,;7.11,-24.33,;8.44,-25.1,;8.45,-26.64,;7.11,-27.41,;7.11,-28.95,;8.45,-29.72,;9.78,-28.94,;9.78,-27.4,;11.12,-29.69,;11.12,-31.24,;12.46,-32,;13.79,-31.22,;15.13,-31.98,;13.78,-29.68,;12.44,-28.92,;12.43,-27.38,;13.76,-26.6,;15.09,-27.36,;16.42,-26.58,;16.41,-25.04,;15.06,-24.28,;13.74,-25.06,)|
C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1 |r,wU:37.43,34.36,1.0,51.57,(20.55,-53.47,;19.22,-52.7,;17.9,-53.47,;16.57,-52.7,;15.24,-53.48,;13.91,-52.72,;12.58,-53.49,;11.24,-52.73,;11.24,-51.19,;12.56,-50.4,;12.55,-48.86,;13.88,-48.09,;15.21,-48.85,;16.54,-48.08,;16.53,-46.54,;15.2,-45.78,;13.86,-46.55,;13.9,-51.17,;9.9,-50.42,;8.56,-51.21,;7.23,-50.43,;7.22,-48.89,;8.56,-48.13,;8.56,-46.58,;7.22,-45.81,;5.88,-46.59,;4.54,-45.81,;4.54,-44.27,;3.21,-43.5,;5.88,-43.5,;7.22,-44.26,;8.55,-43.49,;8.54,-41.94,;9.88,-44.25,;11.22,-43.48,;12.56,-44.25,;13.89,-43.48,;13.89,-41.94,;12.55,-41.16,;11.21,-41.94,;15.23,-41.16,;16.57,-41.94,;16.57,-43.48,;17.78,-40.99,;19.26,-41.44,;20.12,-40.16,;21.66,-40.11,;19.18,-38.94,;17.73,-39.47,;9.89,-48.88,;16.55,-51.17,;17.88,-50.4,;17.88,-48.87,;19.22,-51.17,)|
C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)ccc3O)c2)C[C@@H](C)N1 |r,wU:37.43,34.36,53.59,1.0,(46.59,-30.6,;45.26,-29.83,;43.94,-30.6,;42.61,-29.83,;41.28,-30.6,;39.95,-29.84,;38.61,-30.62,;37.28,-29.86,;37.27,-28.31,;38.6,-27.53,;38.58,-25.99,;39.91,-25.21,;41.23,-25.98,;42.56,-25.21,;42.55,-23.67,;41.21,-22.91,;39.88,-23.68,;39.93,-28.29,;35.93,-27.55,;34.59,-28.33,;33.26,-27.56,;33.25,-26.02,;34.59,-25.25,;34.59,-23.7,;33.25,-22.93,;31.91,-23.71,;30.57,-22.93,;30.57,-21.38,;29.23,-20.62,;31.91,-20.61,;33.25,-21.38,;34.58,-20.6,;34.57,-19.06,;35.92,-21.37,;37.25,-20.59,;38.59,-21.37,;39.92,-20.6,;39.93,-19.05,;38.59,-18.28,;37.25,-19.06,;41.27,-18.28,;42.61,-19.05,;42.61,-20.6,;43.94,-18.29,;43.93,-16.76,;45.26,-15.99,;45.25,-14.45,;46.6,-16.76,;46.59,-18.29,;45.26,-19.06,;45.26,-20.6,;35.92,-26.01,;42.59,-28.3,;43.93,-27.53,;43.92,-25.99,;45.26,-28.29,)|
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
O=c1ccc2ccc(cc2n1CCN1CCC(CC1)NCc1cc2OCCOc2cn1)C#N
COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1
Cc1nc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)ccc1C#N
Cc1ncc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)cc1C#N
Cc1ncc(CNC2CCN(CCn3c4cc(F)cnc4ccc3=O)CC2)cc1C#N
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1
COc1ccc2n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c(=O)ccc2n1
Cc1ncc(CNC2CCN(CCn3c4ccc(=O)n(C)c4ccc3=O)CC2)cc1C#N
COc1cc(C#N)c2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NC(=O)c3cnc(C)c(c3)C#N)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(OC)c(c3)C#N)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(n3)C#N)c2c1
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2n1
COc1cnc2ncc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1
Cc1ncc(CN[C@@H]2CCN(CCn3c4cc(ccc4ccc3=O)C#N)C[C@@H]2F)cc1C#N |r|
Cc1ncc(CN[C@@H]2CCN(CCn3c4cc(F)cnc4ccc3=O)C[C@@H]2F)cc1C#N |r|
COc1cnc2ccc(=O)n(CCN3CC[C@@H](NCc4cnc(C)c(c4)C#N)[C@@H](F)C3)c2c1 |r|
CO[C@H]1CN(CCn2c3cc(OC)cnc3ccc2=O)CC[C@H]1NCc1cnc(C)c(c1)C#N |r|
F[C@H]1CN(CCn2c3cc(F)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
F[C@@H]1CN(CCn2c3cc(F)cnc3ccc2=O)CC[C@@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
COc1cnc2ccc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r|
COc1cnc2ccc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](F)C3)c2c1 |r|
CO[C@H]1CN(CCn2c3cc(OC)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:13|
FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)C1=O)c1ccccc1 |c:13|
CN(C)CCN1c2ccccc2C(=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:13|
CN1c2ccccc2C(=N[C@@H](NC(=O)CCC2CCCCC2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)C(N)Cc2ccccc2)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9|
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C1=O)c1ccccc1 |c:13|
CC(C)OC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
COC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccccc23)c1Cl
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccc(F)cc23)c1Cl
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3cc(F)c(F)cc23)c1Cl
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3cc(F)c(F)cc13)N2C(=O)c1noc(C)c1C |r,TLB:25:24:6.7.8:2.3,9:7:24:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1n[nH]c3ccc(F)cc13)N2C(=O)c1cnn(C)c1Cl |r,TLB:21:20:2.3:7.6.8,9:7:20:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3ncccc13)N2C(=O)c1cnn(C)c1Cl |r,TLB:23:22:2.3:7.6.8,9:7:22:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3nccnc13)N2C(=O)c1noc(C)c1C |r,TLB:23:22:6.7.8:2.3,9:7:22:2.3|
COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C)cc23)c1C
COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C
COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C
CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C
Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO
COc1cnc2c(cn(Cc3ncnc(OC)c3C)c2c1)C(=O)NCCO
COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |r|
c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3
CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|
O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CCc2ccccc2)C1 |r|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O
CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F
Nc1nc2ccc(cc2n1CC(O)c1cccc(Cl)c1Cl)C#N
CS(=O)(=O)c1ccc2nc(N)n(CC(O)c3cccc(Cl)c3Cl)c2c1
Nc1nc2ccc(Cl)cc2n1CC(O)c1cccc(Cl)c1Cl
Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl
Nc1nc2ccc(OCC(F)(F)F)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F
Nc1nc2ccc(OC3CNC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F
CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F
Nc1nc2ccc(NCC(F)(F)F)nc2n1CC(O)c1ccc(Cl)cc1Cl
Nc1nc(cn1CC(O)c1ccc(Cl)cc1Cl)C1CC1
Nc1nc2ccccc2n1CC(O)c1ccc(Cl)cc1Cl
CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1
Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F
Nc1nccn1CC(O)c1cccc(Cl)c1Cl
Nc1nc(cn1CC(O)c1ccc(cc1Cl)C(F)(F)F)-c1ccc(F)cc1
Cc1cn(CC(O)c2ccc(Cl)cc2Cl)c(N)n1
Cc1nc(N)n(CC(O)c2ccc(Cl)cc2Cl)c1C
Nc1nccn1CC(O)c1ccc(Cl)cc1F
CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Clc1ccc(Sc2c[nH]nc2-c2ccc3OCCOc3c2)cc1
CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Clc1ccc2occ(CC3SC(=O)NC3=O)c(=O)c2c1
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(n4)-c4ccc(Cl)cc4)cc23)C1 |w:10.9,2.1|
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
COCCOCC#Cc1cc(cs1)-c1[nH]nc2-c3ccc(CN4CCN(C)CC4)cc3C(=O)c12
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)C(=O)C1
Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
CC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
CCNC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cccs1
CS(=O)(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)c2ncccn2)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CCO)C2)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(COC(=O)N2)CC1)-c1cccs1
CC(=O)N1CCC2(CCN(C2)c2ccc(cn2)C(=O)Nc2cc(ccc2N)-c2cccs2)C1
CC(=O)N1CC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
CC(=O)N1CCC2(C1)CCCN(C2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r|
CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:3.2,25.26,28.33,wD:7.8,(24.27,-20.7,;23.02,-19.81,;23.17,-18.27,;21.92,-17.37,;20.46,-17.85,;19.55,-16.6,;20.45,-15.36,;21.91,-15.83,;23.25,-15.06,;24.58,-15.83,;24.58,-17.38,;25.92,-15.06,;27.26,-15.83,;28.59,-15.06,;28.59,-13.52,;29.93,-15.83,;31.25,-15.06,;32.59,-15.83,;32.59,-17.38,;31.25,-18.15,;29.93,-17.38,;31.25,-19.69,;29.93,-20.46,;32.59,-20.46,;31.24,-21.22,;18.01,-16.6,;17.24,-17.94,;15.69,-17.94,;14.93,-16.6,;15.7,-15.27,;17.23,-15.28,;13.39,-16.6,;12.62,-15.26,;11.08,-15.26,;10.31,-16.59,;11.08,-17.93,;12.62,-17.93,)|
O[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:1.0,23.24,26.31,wD:5.6,(-2.46,-10.74,;-3.71,-9.84,;-5.17,-10.31,;-6.08,-9.07,;-5.18,-7.82,;-3.72,-8.3,;-2.39,-7.53,;-1.05,-8.3,;-1.05,-9.84,;.28,-7.53,;1.62,-8.3,;2.95,-7.53,;2.95,-5.99,;4.28,-8.3,;5.61,-7.53,;6.95,-8.29,;6.95,-9.84,;5.62,-10.61,;4.28,-9.84,;5.61,-12.15,;4.28,-12.92,;6.95,-12.92,;5.6,-13.69,;-7.62,-9.07,;-8.39,-10.41,;-9.93,-10.41,;-10.7,-9.07,;-9.93,-7.74,;-8.39,-7.74,;-12.25,-9.07,;-13.01,-7.73,;-14.55,-7.72,;-15.32,-9.06,;-14.55,-10.4,;-13.01,-10.39,)|
Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1C1CCCNC1
F[C@@H]1CCNCC1c1c([nH]c2cc(Cl)ccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2ccccc12)-c1ccccc1
CN1CCCCC1c1c([nH]c2ccccc12)-c1ccccc1
CN1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
C(Cc1ccccc1)N1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccsc1
COC(=O)c1[nH]c2cc(F)ccc2c1C1CNCC[C@H]1F
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc2ccccc2c1
C(N1CCCC(C1)c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
C1CNCC(C1)c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2c(Cl)cccc12)-c1ccccc1
C(Cc1ccccc1)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C1CCCCC1
C1CC(CCN1)c1c([nH]c2ccccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1cccnc1
F[C@@H]1CCNCC1c1c([nH]c2c(F)cccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2ccc(F)cc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc(F)cc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2ccc(Cl)cc12)-c1ccccc1
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1cccc2ccccc12
F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C(=O)Nc1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(F)c1
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12
CC(C(=O)NC1(CCC(CC1)N1CCC2(CCC(C)(C)O2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(4.22,-3.85,;2.78,-4.38,;1.6,-3.39,;.15,-3.91,;1.86,-1.87,;.69,-.88,;-.08,.45,;-1.62,.45,;-2.39,-.88,;-1.62,-2.21,;-.08,-2.21,;-3.93,-.88,;-4.7,.45,;-6.24,.45,;-7.01,-.88,;-7.92,-2.13,;-9.38,-1.65,;-9.38,-.11,;-9.7,1.4,;-10.92,-.27,;-7.92,.37,;-6.24,-2.21,;-4.7,-2.21,;1.86,.11,;1.6,1.63,;2.78,2.62,;4.22,2.09,;4.49,.57,;3.31,-.42,;2.51,-5.89,;1.06,-6.42,;.8,-7.94,;1.97,-8.93,;3.42,-8.4,;3.69,-6.88,;4.6,-9.39,;5.78,-10.38,;3.61,-10.57,;5.59,-8.21,;-.65,-8.46,;-2.1,-8.99,;-.13,-9.91,;-1.18,-7.02,)|
CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCC(CC1)C1CCOC1(C)C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.26,wD:5.4,8.11,(4.42,-1.52,;3.21,-2.47,;1.78,-1.89,;.57,-2.84,;1.57,-.36,;.14,.21,;-.18,-1.29,;-1.65,-1.77,;-2.79,-.74,;-2.47,.77,;-1.01,1.24,;-4.26,-1.22,;-4.58,-2.72,;-6.04,-3.2,;-7.19,-2.17,;-6.87,-.66,;-5.4,-.18,;-8.65,-2.64,;-9.13,-4.11,;-10.67,-4.11,;-11.14,-2.64,;-9.9,-1.74,;-10.65,-.4,;-9.14,-.4,;.95,1.52,;.23,2.88,;1.05,4.18,;2.59,4.13,;3.31,2.77,;2.49,1.46,;3.42,-3.99,;2.21,-4.94,;2.42,-6.46,;3.85,-7.04,;5.06,-6.09,;4.85,-4.57,;6.49,-6.67,;7.92,-7.25,;5.92,-8.1,;7.07,-5.24,;1.21,-7.41,;-0,-8.36,;.26,-6.2,;2.16,-8.63,)|
CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCC(C)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,8.11,wD:5.19,(8.53,-.29,;7.2,-1.06,;5.87,-.29,;4.53,-1.06,;5.87,1.25,;4.53,2.02,;3.54,3.2,;2.03,2.93,;1.5,1.49,;2.49,.31,;4,.57,;-.02,1.22,;-.54,-.23,;-2.06,-.5,;-3.05,.68,;-4.57,.42,;-2.52,2.13,;-1.01,2.4,;5.52,3.2,;7.04,2.93,;8.03,4.11,;7.5,5.56,;5.98,5.83,;4.99,4.65,;7.2,-2.6,;8.53,-3.37,;8.53,-4.91,;7.2,-5.68,;5.87,-4.91,;5.87,-3.37,;4.53,-5.68,;3.2,-6.45,;5.3,-7.01,;3.76,-4.35,;9.87,-5.68,;11.2,-6.45,;10.64,-4.35,;9.1,-7.01,)|
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(8.82,.79,;9.59,-.56,;8.82,-1.89,;9.45,-3.3,;7.28,-1.54,;5.93,-2.99,;7.26,-3.76,;7.26,-5.3,;5.93,-6.06,;4.62,-5.3,;4.62,-3.76,;5.93,-7.59,;7.26,-8.36,;7.26,-9.91,;5.93,-10.67,;5.93,-11.88,;4.6,-9.9,;4.6,-8.36,;5.08,-1.66,;5.79,-.26,;4.93,1.04,;3.37,.96,;2.64,-.45,;3.52,-1.76,;11.12,-.56,;11.12,-2.11,;12.45,-2.88,;13.79,-2.11,;13.79,-.56,;12.45,.21,;15.12,.23,;16.45,-.54,;15.11,1.76,;15.52,-1.27,;12.45,-4.42,;11.12,-5.19,;13.79,-5.19,;10.97,-4.02,)|
CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,8.11,wD:5.18,(8.42,-1.56,;7.08,-2.33,;5.75,-1.56,;4.41,-2.33,;5.75,-.02,;4.41,.75,;3.42,1.93,;1.91,1.66,;1.38,.21,;2.37,-.97,;3.89,-.7,;-.13,-.05,;-.66,-1.5,;-2.18,-1.77,;-3.17,-.59,;-2.64,.86,;-1.12,1.13,;5.4,1.93,;4.88,3.37,;5.87,4.55,;7.38,4.29,;7.91,2.84,;6.92,1.66,;7.08,-3.87,;5.75,-4.64,;5.75,-6.18,;7.08,-6.95,;8.42,-6.18,;8.42,-4.64,;9.75,-6.95,;11.08,-7.72,;8.98,-8.29,;10.52,-5.62,;4.41,-6.95,;3.08,-7.72,;5.18,-8.29,;3.64,-5.62,)|
CC(C(=O)NC1(CCC(CC1)N1CCC(CC1)C1CCOC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(2.74,-.08,;1.53,-1.03,;.1,-.45,;-1.12,-1.4,;-.12,1.07,;-1.54,1.65,;-2.69,2.68,;-4.15,2.21,;-4.47,.7,;-3.33,-.33,;-1.86,.14,;-5.94,.22,;-6.26,-1.28,;-7.72,-1.76,;-8.87,-.73,;-8.55,.78,;-7.08,1.25,;-10.33,-1.2,;-10.81,-2.67,;-12.35,-2.67,;-12.82,-1.2,;-11.58,-.3,;-11.58,1.24,;-.73,2.96,;-1.45,4.32,;-.64,5.62,;.9,5.57,;1.63,4.21,;.81,2.9,;1.74,-2.55,;.53,-3.5,;.74,-5.03,;2.17,-5.6,;3.38,-4.66,;3.17,-3.13,;4.81,-5.23,;6.24,-5.81,;4.23,-6.66,;5.39,-3.8,;-.47,-5.97,;-1.69,-6.92,;-1.42,-4.76,;.48,-7.19,)|
CC(C(=O)NC1(CCC(CC1)N1CCC(O)(Cc2ccccc2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(9.01,-.09,;7.68,-.86,;6.34,-.09,;5.01,-.86,;6.34,1.45,;5.01,2.22,;4.02,3.4,;2.5,3.13,;1.98,1.69,;2.97,.51,;4.48,.77,;.46,1.42,;-.53,2.6,;-2.05,2.33,;-2.57,.88,;-3.91,1.65,;-3.56,-.3,;-5.08,-.03,;-6.07,-1.21,;-7.59,-.94,;-8.11,.51,;-7.12,1.69,;-5.61,1.42,;-1.58,-.3,;-.07,-.03,;6,3.4,;5.47,4.85,;6.46,6.03,;7.98,5.76,;8.51,4.31,;7.52,3.13,;7.68,-2.4,;6.34,-3.17,;6.34,-4.71,;7.68,-5.48,;9.01,-4.71,;9.01,-3.17,;10.34,-5.48,;11.68,-6.25,;9.57,-6.81,;11.11,-4.15,;5.01,-5.48,;3.68,-6.25,;5.78,-6.81,;4.24,-4.15,)|
CC(C(=O)N[C@@]1(CC[C@@H](CC1)N(C)C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.14,wD:5.4,8.11,(9.22,-2.61,;7.88,-3.38,;6.55,-2.61,;5.22,-3.38,;6.55,-1.07,;5.22,-.3,;4.69,-1.75,;3.17,-2.01,;2.18,-.83,;2.71,.61,;4.23,.88,;.67,-1.1,;.14,-2.55,;-.32,.08,;6.2,.88,;5.68,2.33,;6.67,3.51,;8.18,3.24,;8.71,1.79,;7.72,.61,;7.88,-4.92,;9.22,-5.69,;9.22,-7.23,;7.88,-8,;6.55,-7.23,;6.55,-5.69,;5.22,-8,;3.88,-8.77,;5.99,-9.33,;4.45,-6.67,;10.55,-8,;11.88,-8.77,;11.32,-6.67,;9.78,-9.33,)|
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(12.6,.58,;13.37,-.76,;12.62,-2.07,;13.24,-3.48,;11.08,-1.74,;9.74,-3.17,;11.05,-3.95,;11.05,-5.49,;9.74,-6.24,;8.42,-5.49,;8.42,-3.95,;9.74,-7.77,;8.4,-8.52,;8.4,-10.06,;9.73,-10.82,;9.72,-12.36,;11.05,-10.07,;11.05,-8.52,;8.89,-1.86,;9.6,-.48,;8.73,.84,;7.18,.75,;6.46,-.66,;7.33,-1.95,;14.9,-.76,;16.21,.02,;17.55,-.76,;17.55,-2.3,;16.21,-3.06,;14.9,-2.3,;16.21,-4.6,;14.9,-5.36,;17.55,-5.36,;14.74,-4.21,;18.88,.02,;20.2,-.73,;18.86,1.55,;19.26,-1.46,)|
CC(C(=O)N[C@]1(CCC(CC1)N1CCC2(CCCO2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,(-.27,.88,;.5,-.45,;-.26,-1.78,;.36,-3.2,;-1.81,-1.43,;-3.15,-2.89,;-1.82,-3.67,;-1.82,-5.21,;-3.15,-5.97,;-4.47,-5.21,;-4.47,-3.67,;-3.15,-7.51,;-4.5,-8.27,;-4.5,-9.81,;-3.17,-10.58,;-4.41,-11.49,;-3.94,-12.95,;-2.4,-12.95,;-1.93,-11.49,;-1.84,-9.81,;-1.82,-8.27,;-4.01,-1.57,;-3.29,-.17,;-4.15,1.14,;-5.73,1.07,;-6.44,-.36,;-5.57,-1.66,;2.04,-.47,;3.37,.32,;4.7,-.45,;4.7,-2.01,;3.37,-2.78,;2.04,-2.01,;3.37,-4.32,;2.04,-5.09,;4.7,-5.09,;1.87,-3.92,;6.03,.32,;7.37,-.44,;6.03,1.86,;6.44,-1.17,)|
CC(C(=O)NC1(CCC(CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(6.52,-1.72,;5.07,-2.25,;3.89,-1.26,;2.44,-1.78,;4.16,.26,;2.98,1.25,;2.21,2.58,;.67,2.58,;-.1,1.25,;.67,-.08,;2.21,-.08,;-1.64,1.25,;-2.41,2.58,;-3.95,2.58,;-4.72,1.25,;-5.63,2.5,;-7.09,2.02,;-7.09,.48,;-5.63,0,;-3.95,-.08,;-2.41,-.08,;4.16,2.24,;3.89,3.76,;5.07,4.75,;6.52,4.22,;6.79,2.7,;5.61,1.71,;4.8,-3.76,;5.98,-4.75,;5.72,-6.27,;4.27,-6.8,;3.09,-5.81,;3.36,-4.29,;1.64,-6.33,;.19,-6.86,;2.17,-7.78,;1.11,-4.89,;6.9,-7.26,;8.08,-8.25,;7.89,-6.08,;5.91,-8.44,)|
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CC1)OCCO2)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(12.6,.72,;13.37,-.62,;12.62,-1.95,;13.24,-3.34,;11.08,-1.59,;9.74,-3.03,;11.05,-3.81,;11.05,-5.35,;9.74,-6.1,;8.42,-5.35,;8.42,-3.81,;9.74,-7.63,;8.4,-8.38,;8.4,-9.92,;9.73,-10.68,;11.05,-9.93,;11.05,-8.38,;10.84,-11.42,;10.79,-12.76,;8.47,-12.65,;8.54,-11.31,;8.89,-1.72,;9.6,-.34,;8.73,.98,;7.18,.89,;6.46,-.52,;7.33,-1.81,;14.9,-.62,;16.21,.16,;17.55,-.62,;17.55,-2.16,;16.21,-2.92,;14.9,-2.16,;16.21,-4.46,;14.9,-5.21,;17.55,-5.21,;16.63,-5.93,;18.88,.16,;20.2,-.59,;18.86,1.69,;19.26,-1.32,)|
CC(C)N1CCN(CC1)[C@H]1CC[C@@](CC1)(NC(=O)C(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |wU:12.16,wD:9.9,(8.38,-12.86,;9.72,-12.1,;11.05,-12.88,;9.73,-10.56,;11.05,-9.81,;11.05,-8.26,;9.74,-7.51,;8.4,-8.26,;8.4,-9.8,;9.74,-5.98,;11.05,-5.23,;11.05,-3.69,;9.74,-2.92,;8.42,-3.69,;8.42,-5.23,;11.08,-1.48,;12.62,-1.83,;13.24,-3.22,;13.37,-.5,;12.6,.84,;14.9,-.5,;16.21,.27,;17.55,-.5,;17.55,-2.04,;16.21,-2.8,;14.9,-2.04,;16.21,-4.35,;14.9,-5.11,;17.55,-5.11,;14.74,-3.95,;18.88,.27,;20.2,-.48,;18.86,1.81,;19.26,-1.2,;8.89,-1.6,;9.6,-.22,;8.73,1.09,;7.18,1.01,;6.46,-.41,;7.33,-1.7,)|
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(9.45,2.17,;10.23,.83,;8.9,.06,;8.89,-1.48,;7.57,.83,;6.24,.05,;7.57,-.72,;7.57,-2.26,;6.21,-3.02,;4.88,-2.26,;4.9,-.7,;6.21,-4.56,;4.9,-5.34,;4.9,-6.88,;6.21,-7.64,;7.54,-6.88,;7.54,-5.34,;6.21,-9.18,;4.88,-9.94,;4.88,-11.48,;6.21,-12.25,;6.21,-13.79,;7.56,-11.48,;7.54,-9.94,;4.9,.82,;3.57,.05,;2.22,.82,;2.2,2.37,;3.55,3.15,;4.9,2.38,;11.56,.06,;12.89,.83,;14.22,.07,;14.22,-1.48,;12.89,-2.25,;11.56,-1.48,;12.88,-3.79,;11.55,-4.56,;14.22,-4.56,;11.39,-3.38,;15.55,.84,;15.94,-.65,;16.88,.07,;15.55,2.38,)|
CC(C(=O)NC1(CCC(CC1)N1CCC(CC1)C1CCC(=O)O1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(.69,-6.53,;-.59,-5.67,;-.48,-4.14,;-1.76,-3.28,;.9,-3.46,;1.01,-1.93,;1.63,-.52,;.73,.73,;-.8,.57,;-1.43,-.84,;-.52,-2.09,;-1.71,1.81,;-1.08,3.22,;-1.99,4.46,;-3.52,4.3,;-4.14,2.9,;-3.24,1.65,;-4.42,5.55,;-5.96,5.55,;-6.44,7.01,;-5.19,7.92,;-5.19,9.46,;-3.95,7.01,;2.5,-2.3,;3.57,-1.19,;5.07,-1.56,;5.49,-3.04,;4.42,-4.15,;2.93,-3.78,;-1.98,-6.35,;-3.25,-5.49,;-4.64,-6.16,;-4.74,-7.7,;-3.47,-8.56,;-2.08,-7.88,;-3.57,-10.1,;-3.68,-11.63,;-5.11,-9.99,;-2.04,-10.2,;-5.91,-5.3,;-7.19,-4.44,;-5.05,-4.02,;-6.77,-6.58,)|
N#Cc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:9|
CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
C1CC(CO1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(ccc2c1)C(F)(F)F)-c1cc(Cl)cc(Cl)c1 |r|
NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F |r,t:1|
NC1=N[C@](c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |r,t:1|
NC1=N[C@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 |r,t:1|
Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4
N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
CC(=O)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
CC(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
OC(=O)C1CCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
[H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)cnc2ccc1=O |r,wU:20.23,wD:4.7,1.0,(24.63,-8.87,;23.3,-8.1,;21.97,-7.35,;21.96,-5.8,;23.3,-5.03,;24.63,-5.8,;24.63,-7.33,;23.29,-3.49,;24.62,-2.72,;25.96,-3.48,;25.95,-5.03,;27.29,-5.8,;28.61,-5.03,;29.95,-5.8,;31.29,-5.02,;31.29,-3.47,;32.62,-2.71,;29.94,-2.7,;28.61,-3.48,;27.28,-2.72,;23.31,-9.64,;24.65,-10.41,;21.98,-10.42,;21.99,-11.96,;20.66,-12.75,;19.32,-11.98,;18,-12.75,;16.66,-11.98,;17.99,-14.3,;19.33,-15.07,;20.66,-14.3,;22,-15.07,;23.35,-14.29,;23.34,-12.73,;24.67,-11.96,)|
COc1ccc2ncc(=O)n(CC(N)C3(F)CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 |(19.03,-29.95,;20.37,-29.18,;21.7,-29.95,;21.7,-31.49,;23.03,-32.26,;24.37,-31.5,;25.71,-32.27,;27.06,-31.49,;27.05,-29.93,;28.38,-29.16,;25.7,-29.16,;25.69,-27.62,;27.02,-26.84,;28.36,-27.6,;27.01,-25.3,;28.33,-26.06,;28.34,-24.53,;28.34,-22.99,;27,-22.22,;25.67,-23,;25.67,-24.54,;27,-20.68,;28.33,-19.91,;29.67,-20.68,;29.66,-22.23,;30.99,-22.99,;32.32,-22.22,;33.66,-22.99,;35,-22.22,;35,-20.67,;36.33,-19.9,;33.65,-19.89,;32.32,-20.67,;30.99,-19.91,;24.36,-29.94,;23.03,-29.18,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@H](N)Cn1c2cc(OC)cnc2ccc1=O |r,wD:4.7,20.23,1.0,(10.19,-26.31,;8.87,-25.54,;7.53,-24.78,;7.53,-23.24,;8.86,-22.47,;10.19,-23.23,;10.2,-24.77,;8.86,-20.93,;10.19,-20.15,;11.52,-20.92,;11.52,-22.47,;12.85,-23.24,;14.18,-22.47,;15.51,-23.24,;16.86,-22.46,;16.86,-20.91,;18.19,-20.14,;15.51,-20.13,;14.18,-20.92,;12.84,-20.16,;8.88,-27.08,;10.21,-27.85,;7.55,-27.86,;7.56,-29.4,;6.22,-30.19,;4.89,-29.42,;3.56,-30.19,;2.22,-29.42,;.89,-30.19,;3.56,-31.74,;4.89,-32.51,;6.23,-31.74,;7.57,-32.51,;8.91,-31.73,;8.91,-30.18,;10.24,-29.4,)|
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(29.6,-27.63,;28.28,-26.87,;26.94,-26.11,;26.94,-24.57,;28.27,-23.79,;29.6,-24.56,;29.61,-26.1,;28.27,-22.25,;29.6,-21.48,;30.93,-22.25,;30.93,-23.8,;32.26,-24.56,;33.59,-23.79,;34.92,-24.56,;36.27,-23.79,;36.27,-22.24,;37.6,-21.47,;34.92,-21.46,;33.59,-22.24,;32.25,-21.48,;28.29,-28.41,;29.62,-29.17,;26.96,-29.19,;26.97,-30.73,;25.63,-31.51,;24.3,-30.75,;22.97,-31.52,;21.63,-30.75,;20.3,-31.52,;22.97,-33.06,;24.3,-33.84,;25.64,-33.07,;26.98,-33.84,;28.32,-33.06,;28.32,-31.5,;29.65,-30.73,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(47.66,-27.83,;46.34,-27.07,;45,-26.31,;45,-24.76,;46.33,-23.99,;47.66,-24.76,;47.67,-26.29,;46.33,-22.45,;47.66,-21.68,;48.99,-22.44,;48.99,-23.99,;50.32,-24.76,;51.65,-23.99,;52.98,-24.76,;54.33,-23.99,;54.32,-22.44,;55.66,-21.67,;52.98,-21.66,;51.64,-22.44,;50.31,-21.68,;46.34,-28.61,;47.68,-29.37,;45.02,-29.38,;45.02,-30.92,;43.69,-31.71,;42.35,-30.95,;41.03,-31.72,;39.69,-30.95,;38.36,-31.72,;41.02,-33.26,;42.36,-34.03,;43.69,-33.26,;45.04,-34.03,;46.38,-33.25,;46.37,-31.7,;47.7,-30.92,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(8.92,-46.62,;7.59,-45.86,;6.25,-45.1,;6.25,-43.55,;7.58,-42.78,;8.92,-43.55,;8.92,-45.08,;7.58,-41.24,;8.91,-40.47,;10.25,-41.24,;10.24,-42.78,;11.57,-43.55,;12.9,-42.78,;14.24,-43.55,;15.58,-42.78,;15.58,-41.23,;16.91,-40.46,;14.23,-40.45,;12.9,-41.23,;11.57,-40.47,;7.6,-47.4,;8.94,-48.16,;6.27,-48.17,;6.28,-49.71,;4.94,-50.5,;3.61,-49.74,;2.28,-50.51,;.96,-49.74,;2.28,-52.05,;3.61,-52.82,;4.95,-52.05,;6.29,-52.82,;7.64,-52.04,;7.63,-50.49,;8.96,-49.72,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)c(F)cc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(43.7,-47.56,;42.38,-46.79,;41.04,-46.03,;41.04,-44.49,;42.37,-43.71,;43.7,-44.48,;43.71,-46.02,;42.37,-42.17,;43.7,-41.4,;45.03,-42.17,;45.03,-43.72,;46.36,-44.48,;47.69,-43.71,;49.02,-44.48,;50.37,-43.71,;50.36,-42.16,;51.7,-41.39,;49.02,-41.38,;47.68,-42.16,;46.35,-41.4,;42.38,-48.33,;43.72,-49.09,;41.05,-49.11,;41.06,-50.65,;39.73,-51.44,;38.39,-50.67,;37.06,-51.44,;35.73,-50.67,;34.4,-51.44,;37.06,-52.99,;35.73,-53.75,;38.4,-53.76,;39.73,-52.99,;41.08,-53.76,;42.42,-52.98,;42.41,-51.42,;43.74,-50.65,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)cnc2ccc1=O |r,wU:20.23,wD:4.7,1.0,(9.66,-8.53,;8.34,-7.77,;7,-7.01,;7,-5.46,;8.33,-4.69,;9.67,-5.46,;9.67,-6.99,;8.33,-3.15,;9.66,-2.38,;11,-3.14,;10.99,-4.69,;12.32,-5.46,;13.65,-4.69,;14.99,-5.46,;16.33,-4.68,;16.33,-3.13,;17.66,-2.36,;14.98,-2.36,;13.65,-3.14,;12.31,-2.38,;8.35,-9.3,;9.68,-10.07,;7.02,-10.08,;7.03,-11.62,;5.69,-12.41,;4.36,-11.64,;3.03,-12.41,;1.7,-11.65,;.36,-12.42,;3.03,-13.96,;4.36,-14.73,;5.7,-13.96,;7.04,-14.73,;8.38,-13.95,;8.38,-12.4,;9.71,-11.62,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2c(C)cc1=O |r,wU:20.23,wD:4.7,1.0,(11.49,-28.16,;10.17,-27.39,;8.83,-26.63,;8.83,-25.09,;10.16,-24.31,;11.49,-25.08,;11.5,-26.62,;10.16,-22.78,;11.49,-22,;12.82,-22.77,;12.82,-24.32,;14.15,-25.08,;15.48,-24.32,;16.81,-25.08,;18.16,-24.31,;18.15,-22.76,;19.49,-21.99,;16.81,-21.98,;15.47,-22.77,;14.14,-22.01,;10.17,-28.93,;11.51,-29.69,;8.85,-29.71,;8.85,-31.25,;7.52,-32.04,;6.18,-31.27,;4.86,-32.04,;3.52,-31.27,;4.85,-33.59,;6.19,-34.36,;7.52,-33.59,;8.87,-34.36,;8.87,-35.9,;10.21,-33.58,;10.2,-32.02,;11.53,-31.25,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2c(C)cc1=O |r,wU:20.23,wD:4.7,1.0,(50.84,-9.39,;49.51,-8.63,;48.18,-7.87,;48.18,-6.32,;49.51,-5.55,;50.84,-6.32,;50.85,-7.85,;49.5,-4.01,;50.84,-3.24,;52.17,-4.01,;52.17,-5.55,;53.5,-6.32,;54.83,-5.55,;56.16,-6.32,;57.5,-5.55,;57.5,-4,;58.84,-3.23,;56.16,-3.22,;54.82,-4,;53.49,-3.24,;49.52,-10.17,;50.86,-10.93,;48.19,-10.94,;48.2,-12.48,;46.87,-13.27,;45.53,-12.51,;44.2,-13.28,;42.87,-12.51,;44.2,-14.82,;45.54,-15.59,;46.87,-14.82,;48.22,-15.59,;48.22,-17.13,;49.56,-14.81,;49.55,-13.26,;50.88,-12.49,)|
[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)ccc2ccc1=O |r,wU:20.23,wD:4.7,1.0,(31.65,-8.82,;30.32,-8.05,;28.98,-7.29,;28.98,-5.75,;30.32,-4.97,;31.65,-5.74,;31.65,-7.28,;30.31,-3.44,;31.64,-2.66,;32.98,-3.43,;32.97,-4.98,;34.31,-5.74,;35.63,-4.98,;36.97,-5.74,;38.31,-4.97,;38.31,-3.42,;39.64,-2.65,;36.97,-2.64,;35.63,-3.43,;34.3,-2.66,;30.33,-9.59,;31.67,-10.35,;29,-10.37,;29.01,-11.91,;27.68,-12.7,;26.34,-11.93,;25.01,-12.7,;23.68,-11.93,;22.35,-12.7,;25.01,-14.25,;26.34,-15.02,;27.68,-14.25,;29.02,-15.02,;30.37,-14.24,;30.36,-12.68,;31.69,-11.91,)|
[H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|
CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1
CC(C)(O)c1ccc(cn1)C(Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1
CC(C)(O)c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
CC(C)(O)c1ccc(cn1)C(Cc1ccc(=O)[nH]c1)c1ccc(OC(F)F)c(OC2CC2)c1
c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
OCCONC(=O)c1ccn2cncc2c1Nc1ccc(I)cc1F
OCCONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F
C[C@H](O)CONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F |r|
C[C@H](CO)CONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F |r|
CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl
Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl
CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1
CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
OC(C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1)(c1ccccc1)c1ccccc1
OC(C1CCN(CCCOc2ccc(cc2)-c2ccccc2)CC1)(c1ccccc1)c1ccccc1
O=C1NC(=O)\C(S1)=C/c1ccccc1OCc1nnc(o1)-c1ccccc1
Clc1cccc(Cl)c1COc1nnc(COc2ccccc2\C=C2\SC(=O)NC2=O)o1
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cn(C)c2ccccc12
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 |r|
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C)c(n1)-c1cn(C)c2ccccc12
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(=O)(=O)CCCN
CS(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(C)(=O)=O
C[S+]([O-])c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)[S+](C)[O-]
O=S(=O)(C1CC1)c1cccc(c1)-c1ccc2ncc(-c3ccc(cc3)-c3nnn[nH]3)n2n1
CS(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(=O)(=O)C1CC1
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(=O)(=O)C1CC1
CS(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc(cc3)S(C)(=O)=O)n2n1
CS(=O)(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc(cc3)C(=O)N3CCC(O)C3)n2n1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,(22.66,-7.8,;22.66,-6.26,;24,-5.5,;21.33,-5.48,;21.33,-3.94,;20,-3.16,;18.67,-3.93,;18.66,-5.48,;19.99,-6.25,;17.33,-3.16,;16,-3.93,;16,-5.47,;14.67,-6.24,;13.34,-5.47,;13.33,-3.93,;14.66,-3.16,;12,-6.24,;10.67,-5.47,;9.34,-6.25,;9.34,-7.79,;10.67,-8.56,;12.01,-7.79,;8,-8.55,;6.6,-7.93,;5.57,-9.07,;4.04,-9.07,;3.27,-10.4,;1.73,-10.4,;4.04,-11.73,;5.57,-11.73,;6.33,-10.4,;7.84,-10.08,)|
OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 |r,wU:6.9,wD:3.2,(37.68,-12.65,;37.68,-11.11,;39.02,-10.34,;36.35,-10.33,;36.35,-8.79,;35.02,-8.01,;33.69,-8.77,;33.68,-10.32,;35.01,-11.09,;32.35,-8,;31.02,-8.77,;31.02,-10.31,;29.69,-11.08,;28.36,-10.31,;28.35,-8.78,;29.68,-8,;27.02,-11.08,;25.69,-10.32,;24.36,-11.09,;24.36,-12.64,;25.69,-13.41,;27.03,-12.63,;23.02,-13.4,;21.62,-12.77,;20.59,-13.92,;19.05,-13.92,;18.29,-15.25,;16.75,-15.25,;19.06,-16.58,;20.59,-16.57,;21.35,-15.25,;22.86,-14.93,)|
OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wU:6.9,3.2,(22.66,-7.8,;22.66,-6.26,;24,-5.5,;21.33,-5.48,;21.33,-3.94,;20,-3.16,;18.67,-3.93,;18.66,-5.48,;19.99,-6.25,;17.33,-3.16,;16,-3.93,;16,-5.47,;14.67,-6.24,;13.34,-5.47,;13.33,-3.93,;14.66,-3.16,;12,-6.24,;10.67,-5.47,;9.34,-6.25,;9.34,-7.79,;10.67,-8.56,;12.01,-7.79,;8,-8.55,;6.6,-7.93,;5.57,-9.07,;4.04,-9.07,;3.27,-10.4,;1.73,-10.4,;4.04,-11.73,;5.57,-11.73,;6.33,-10.4,;7.84,-10.08,)|
OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wU:6.9,wD:3.2,(37.68,-12.65,;37.68,-11.11,;39.02,-10.34,;36.35,-10.33,;36.35,-8.79,;35.02,-8.01,;33.69,-8.77,;33.68,-10.32,;35.01,-11.09,;32.35,-8,;31.02,-8.77,;31.02,-10.31,;29.69,-11.08,;28.36,-10.31,;28.35,-8.78,;29.68,-8,;27.02,-11.08,;25.69,-10.32,;24.36,-11.09,;24.36,-12.64,;25.69,-13.41,;27.03,-12.63,;23.02,-13.4,;21.62,-12.77,;20.59,-13.92,;19.05,-13.92,;18.29,-15.25,;16.75,-15.25,;19.06,-16.58,;20.59,-16.57,;21.35,-15.25,;22.86,-14.93,)|
OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:6.9,3.2,(22.37,-7.8,;22.37,-6.26,;23.71,-5.5,;21.04,-5.48,;21.04,-3.94,;19.71,-3.16,;18.38,-3.93,;18.37,-5.48,;19.7,-6.25,;17.05,-3.16,;15.71,-3.93,;15.71,-5.47,;14.38,-6.24,;13.05,-5.47,;13.04,-3.93,;14.38,-3.16,;11.71,-6.24,;10.38,-5.47,;9.05,-6.25,;9.05,-7.79,;10.38,-8.56,;11.72,-7.79,;7.71,-8.55,;6.31,-7.93,;5.28,-9.07,;3.75,-9.07,;2.98,-10.4,;3.76,-11.73,;5.28,-11.73,;6.05,-10.4,;7.55,-10.08,;1.44,-10.4,;.67,-9.07,;.67,-11.74,;-.1,-10.4,)|
OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(29.05,-9.85,;29.05,-8.31,;30.39,-7.55,;27.72,-7.54,;27.72,-6,;26.39,-5.22,;25.06,-5.98,;25.06,-7.53,;26.38,-8.3,;23.73,-5.21,;22.39,-5.98,;22.39,-7.52,;21.07,-8.29,;19.73,-7.52,;19.72,-5.98,;21.06,-5.21,;18.4,-8.29,;17.06,-7.53,;15.73,-8.3,;15.73,-9.84,;17.06,-10.61,;18.4,-9.84,;14.4,-10.61,;12.99,-9.98,;11.96,-11.13,;10.43,-11.13,;9.66,-12.46,;10.44,-13.79,;11.97,-13.78,;12.73,-12.46,;14.23,-12.14,;8.12,-12.46,;7.35,-11.13,;7.35,-13.79,;6.58,-12.45,)|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccc(cc1)C#N)-c1cccnc1F |r,t:1|
CC1(COC1)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
CC(C)(O)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
COC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
CC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
CC1(C)OCCC(=C1)c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:6,25|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,23|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23|
COC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
CC(C)(C)COc1ccc2Oc3ncc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22|
CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:21|
CC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(C)CCc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(O)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
COC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:23|
NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1 |r,t:1,30|
NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1 |r,t:1|
CC1(C)CN(CCO1)c1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:25|
NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1 |r,t:1|
CC(C)(O)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
COC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:23|
CC(C)(F)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1)C#N |r,c:21|
CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cncnc2)COC1 |r,c:20|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccccn1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(F)c1 |r,c:22|
COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1 |r,c:31|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1c(F)ccnc1F |r,c:22|
CC(C)(F)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CC[C@H](F)C1)-c1cccnc1F |r,t:1|
Cn1cc(cn1)-c1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccccn1)-c1cccnc1F |r,t:1|
Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
CN1CCC(CCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccccc1
Cc1nc(nc(OCCCN2CCCC2)c1Cl)-c1ccccc1
Cc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(cc1)C(F)(F)F
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)c(F)c1
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4cc[nH]c4c3)CC(=O)c12
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12
CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12
CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,18.20,1.0,(2.09,-2.17,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;3.41,-1.4,;3.41,-2.93,;4.74,-.63,;4.74,.91,;6.07,-1.4,;7.39,-.63,;8.54,-1.67,;7.9,-3.05,;6.39,-2.9,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(I)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:18.20,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.47,;8.41,-7.7,;9.74,-8.47,;8.4,-6.14,;7.07,-5.39,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.23,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;3.06,-7.68,;1.75,-8.45,;.42,-7.68,;.42,-6.14,;1.75,-5.39,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |wU:22.24,4.7,1.0,(4.31,-7.01,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;5.64,-6.24,;5.64,-7.78,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;8.62,-7.74,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccccc1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,18.20,1.0,(2.84,-3.3,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;4.17,-2.53,;4.17,-4.08,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;7.18,-4.05,)|
[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cccc2ccccc12)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.23,(12.92,.92,;11.58,.16,;10.25,-.63,;10.25,-2.17,;11.58,-2.92,;12.91,-2.17,;12.91,-.63,;11.58,-4.46,;12.91,-5.23,;14.24,-4.46,;12.91,-6.77,;11.58,-7.54,;11.58,-9.08,;12.91,-9.85,;14.24,-9.06,;15.57,-9.83,;16.89,-9.06,;16.88,-7.52,;15.55,-6.77,;14.24,-7.54,;11.58,1.7,;10.25,2.47,;12.91,2.47,;12.91,4.01,;14.24,1.7,;15.66,2.33,;16.69,1.18,;15.92,-.16,;14.4,.16,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(NC(=O)N(C)C)cc1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:23.25,(10.79,7.46,;12.14,6.7,;10.81,5.91,;10.81,4.36,;12.14,3.6,;13.47,4.36,;13.47,5.91,;12.14,2.06,;13.48,1.29,;13.48,-.26,;14.81,2.06,;14.81,.51,;16.12,1.29,;17.45,.53,;17.45,-1.03,;18.8,-1.8,;20.13,-1.03,;20.13,.51,;21.47,-1.8,;21.46,-3.34,;22.81,-1.03,;16.12,-1.78,;14.79,-1.01,;12.14,8.23,;10.8,9,;13.48,9.01,;13.48,10.55,;14.81,8.24,;14.97,6.7,;16.48,6.38,;17.26,7.72,;16.21,8.85,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCCC1 |wU:22.24,4.7,1.0,(4.31,-7.01,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;5.64,-6.24,;5.64,-7.78,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;8.62,-7.74,;10.15,-7.9,;10.79,-6.5,;9.64,-5.47,)|
OC1(Cc2ccc(F)cc2)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1
COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1
COc1nc(ccc1-n1cnc(C)c1)-c1nc(Nc2cc(ccc2F)C(F)(F)F)n(C)n1
COc1ccccc1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1
COc1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC
COc1c(OC(C)(C)C)cc(CN2CC(=O)N(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2=O)cc1OC(C)(C)C
Clc1cccc(Cl)c1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1
O=C(CNCC1CCCCC1)N1CCc2ccccc2C1C1CCCCC1
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCCC1
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCC1
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCCCC1
OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r|
OC1(CNCC(=O)N2CCc3ccccc3[C@H]2C2CCCCC2)CCCCC1 |r|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CC[C@H](F)C1 |wU:5.8,1.0,wD:2.7,24.26,(7.35,-11.7,;7.35,-10.16,;6.02,-9.4,;6.02,-7.85,;4.67,-7.08,;3.35,-7.85,;3.35,-9.4,;4.67,-10.16,;2.01,-7.06,;.68,-7.81,;.68,-9.37,;-.65,-7.06,;-2,-7.81,;-3.32,-7.06,;-3.32,-5.51,;-4.67,-4.74,;-1.98,-4.74,;-1.97,-3.2,;-.65,-5.51,;8.67,-9.4,;8.67,-7.85,;10,-10.16,;11.34,-9.4,;12.49,-10.44,;11.86,-11.82,;12.61,-13.15,;10.33,-11.67,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCSC1 |wU:5.8,1.0,wD:2.2,(3.86,-3.65,;3.86,-2.11,;2.53,-1.34,;2.53,.21,;1.2,.98,;-.13,.21,;-.13,-1.34,;1.2,-2.11,;-1.49,1,;-2.82,.23,;-2.82,-1.31,;-4.15,1,;-4.15,2.56,;-5.48,3.33,;-6.83,2.56,;-6.83,1,;-5.48,.23,;-5.48,-1.31,;-7.02,-1.31,;-3.94,-1.31,;-5.48,-2.85,;5.19,-1.34,;5.19,.21,;6.53,-2.11,;7.87,-1.34,;9.01,-2.38,;8.38,-3.76,;6.86,-3.62,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CC[C@@H](F)C1 |wU:5.8,1.0,24.26,wD:2.7,(7.35,-11.7,;7.35,-10.16,;6.02,-9.4,;6.02,-7.85,;4.67,-7.08,;3.35,-7.85,;3.35,-9.4,;4.67,-10.16,;2.01,-7.06,;.68,-7.81,;.68,-9.37,;-.65,-7.06,;-2,-7.81,;-3.32,-7.06,;-3.32,-5.51,;-4.67,-4.74,;-1.98,-4.74,;-1.97,-3.2,;-.65,-5.51,;8.67,-9.4,;8.67,-7.85,;10,-10.16,;11.34,-9.4,;12.49,-10.44,;11.86,-11.82,;12.61,-13.15,;10.33,-11.67,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1CCC(F)(F)C1 |wU:5.8,1.0,wD:2.7,(4.17,-4.08,;4.17,-2.53,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;8.68,-5.74,;10.11,-4.85,;7.18,-4.05,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](F)C1 |wU:1.0,5.8,28.30,wD:2.2,(5.64,-7.78,;5.64,-6.24,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;10.9,-9.23,;8.62,-7.74,)|
N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCSC1 |wU:5.8,1.0,wD:2.2,(3.41,-2.93,;3.41,-1.4,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;4.74,-.63,;4.74,.91,;6.07,-1.4,;7.39,-.63,;8.54,-1.67,;7.9,-3.05,;6.39,-2.9,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCCC1 |wU:5.8,1.0,wD:2.2,(3.41,-2.93,;3.41,-1.4,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;4.74,-.63,;4.74,.91,;6.07,-1.4,;6.39,-2.9,;7.9,-3.05,;8.54,-1.67,;7.39,-.63,)|
[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)[C@H](N)C(=O)N1CC[C@H](F)C1 |r,wU:4.7,19.21,1.0,wD:1.1,26.28,(1.34,.92,;-.05,.24,;-.05,1.79,;-1.38,2.56,;-2.72,1.79,;-2.72,.24,;-1.38,-.53,;-4.05,2.56,;-5.38,1.78,;-6.47,.7,;-4.29,.7,;-6.72,2.55,;-6.72,4.1,;-8.05,4.87,;-9.38,4.1,;-10.72,4.87,;-9.38,2.55,;-8.05,1.78,;-8.05,.24,;1.29,-.53,;1.29,-2.07,;2.62,.24,;2.62,1.78,;3.95,-.53,;5.2,.38,;6.44,-.53,;5.97,-1.99,;6.87,-3.24,;4.43,-1.99,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](F)C1 |wU:1.0,5.8,wD:2.2,28.30,(5.64,-7.78,;5.64,-6.24,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;10.9,-9.23,;8.62,-7.74,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](F)C1 |wU:5.8,1.0,24.26,wD:2.2,(5.79,-6.89,;5.79,-5.34,;4.46,-4.57,;4.46,-3.02,;3.12,-2.25,;1.8,-3.02,;1.8,-4.57,;3.12,-5.34,;.45,-2.22,;-.88,-2.99,;-.88,-4.55,;-2.22,-2.22,;-3.56,-2.99,;-4.89,-2.22,;-4.89,-.68,;-6.22,.09,;-7.57,-.68,;-7.57,-2.22,;-6.23,-2.99,;7.12,-4.57,;7.12,-3.02,;8.45,-5.34,;9.79,-4.57,;10.94,-5.6,;10.31,-7,;11.08,-8.36,;8.78,-6.84,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(F)(F)C1 |wU:1.0,5.8,wD:2.2,(5.64,-7.78,;5.64,-6.24,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;10.85,-9.27,;9.67,-9.37,;8.62,-7.74,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1CCCC1 |wU:5.8,1.0,wD:2.7,(4.17,-4.08,;4.17,-2.53,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;7.18,-4.05,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@@H](F)C1 |wU:1.0,5.8,25.27,wD:2.7,(5.89,-7.16,;5.89,-5.61,;4.56,-4.84,;4.56,-3.3,;3.22,-2.53,;1.89,-3.3,;1.89,-4.84,;3.22,-5.61,;.54,-2.5,;-.79,-3.27,;-.02,-4.62,;-2.14,-4.04,;-1.56,-1.92,;-.79,-.59,;-1.56,.74,;-3.12,.74,;-3.89,2.08,;-3.89,-.59,;-3.12,-1.92,;-3.89,-3.25,;7.22,-4.84,;7.22,-3.3,;8.55,-5.61,;9.89,-4.84,;11.04,-5.89,;10.41,-7.28,;11.16,-8.61,;8.87,-7.12,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(F)(F)C1 |wU:5.8,1.0,wD:2.2,(3.86,-3.65,;3.86,-2.11,;2.53,-1.34,;2.53,.21,;1.2,.98,;-.13,.21,;-.13,-1.34,;1.2,-2.11,;-1.49,1,;-2.82,.23,;-2.82,-1.31,;-4.15,1,;-5.48,.23,;-6.83,1,;-6.83,2.56,;-8.18,3.33,;-5.48,3.33,;-5.46,4.87,;-4.15,2.56,;5.19,-1.34,;5.19,.21,;6.53,-2.11,;7.87,-1.34,;9.01,-2.38,;8.38,-3.76,;9.08,-5.14,;7.54,-5.07,;6.86,-3.62,)|
N[C@@H](C1CCCCC1)C(=O)N1CCSC1
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1 |wU:1.0,5.8,wD:2.2,(5.64,-7.78,;5.64,-6.24,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;8.62,-7.74,;10.15,-7.9,;10.79,-6.5,;9.64,-5.47,)|
N[C@@H](C1CCCCC1)C(=O)N1CCC(F)(F)C1 |r|
N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1
N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1 |wU:1.0,5.8,wD:2.7,(5.64,-7.78,;5.64,-6.24,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;8.62,-7.74,)|
N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](F)C1 |wU:5.8,1.0,wD:2.2,24.26,(5.79,-6.89,;5.79,-5.34,;4.46,-4.57,;4.46,-3.02,;3.12,-2.25,;1.8,-3.02,;1.8,-4.57,;3.12,-5.34,;.45,-2.22,;-.88,-2.99,;-.88,-4.55,;-2.22,-2.22,;-3.56,-2.99,;-4.89,-2.22,;-4.89,-.68,;-6.22,.09,;-7.57,-.68,;-7.57,-2.22,;-6.23,-2.99,;7.12,-4.57,;7.12,-3.02,;8.45,-5.34,;9.79,-4.57,;10.94,-5.6,;10.31,-7,;11.08,-8.36,;8.78,-6.84,)|
[H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 |r|
CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CCn1nc(Cc2ccc(cc2)C(C)(C)C)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CCC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CCC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C(C)C)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(C)(C)C)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1
CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1
CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)-c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 |r|
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r|
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|
C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12 |r|
C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12 |r|
CN1CCC(CNc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(CC)c2ncccc32)CC1
CCNC(=O)N1CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12
CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(CC)CC)c4ncccc34)CC2)CC1
CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)NC)c4ncccc34)CC2)CC1
CCOC(=O)N1CCC(CN2CCC3(CN(C(N)=O)c4ncccc34)CC2)CC1
OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
CN(C)c1ccc(\C=C\c2c(F)cccc2F)cc1
CNc1ccc(\C=C\c2c(F)cccc2F)cc1
CNc1ccc(\C=C\c2c(F)cccc2Cl)cc1
CN(C)c1ccc(\C=C\c2c(F)cccc2F)nc1
CN(C)c1ccc(\C=C\c2c(F)cccc2Cl)nc1
CN(C)c1ccc(\C=C\c2c(F)cccc2F)cn1
CN(C)c1ccc(\C=C\c2c(F)cccc2Cl)cn1
CNc1ccc(\C=C\c2c(F)cccc2Cl)cn1
CN(C)c1ncc(\C=C\c2c(F)cccc2F)cn1
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1
C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:24|
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
COC(=O)Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)CC([NH3+])Cc2ccccc2F)cc1
[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(F)(F)F)Cc1ccccc1F
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(F)ccc2F)cc1)C(O)=O
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C([NH3+])C2CCCCC2)cc1)C(O)=O
[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(O)=O)Cc1ccc(F)c(F)c1
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O |r|
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O |r|
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O |r|
CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CCOC(=O)c1ccnc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CCOC(=O)c1cncc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CCOC(=O)c1ccc(nc1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1 |r|
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cc1F)C(C)C
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc2N(CCCOC)C(=O)C(C)(C)Oc2cc1F
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(C(C)C)c(OCCCOC)n1
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r|
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r|
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r|
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r|
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r|
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3
c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3c[nH]c4ccc(cc34)C#N)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)C3C(=O)Nc4ccc(Cl)cc34)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(ccc4[nH]3)C(F)(F)F)c2c1
COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(ccc4[nH]3)C(F)(F)F)c2c1
COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4ccccc4[nH]3)c2c1
Fc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(ccc4[nH]3)C(F)(F)F)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)ccc4[nH]3)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(ccc4[nH]3)C#N)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)c(F)cc4[nH]3)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)c(C)cc4[nH]3)c2c1
Cc1cc2[nH]c(nc2cc1Cl)C1CCN(CCn2c3cc(F)cnc3ccc2=O)CC1
COc1cnc2ncc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)c(C)cc4[nH]3)c2c1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1
COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1
O=c1ccc2ncc(Oc3cccnc3)cc2n1CCN1CCC(CC1)c1nc2cc(ccc2[nH]1)C#N
NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)c4nc5cc(ccc5[nH]4)C#N)c3c2)cc1
NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)c4nc5cc(ccc5[nH]4)C(F)(F)F)c3c2)cc1
COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1
NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cccc(c1)-c1nc(no1)-c1cccs1
NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(O)=O
NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(N)=O
NCc1cccc(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(N)=O
CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1F
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1C
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(OC)c3C2)N(C)C(=O)OCC(C)C)cc1
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)CC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1ccccc1)CC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(F)c1)CC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)CC(=O)[C@H]1Cc2ccc(cc2CN1)C(N)=O |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(=O)[C@H]1Cc2ccc(cc2CN1)C(N)=O |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
Fc1cccnc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1 |r|
Oc1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1 |r|
NC(=O)c1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1 |r|
CS(=O)(=O)c1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1 |r|
CS(=O)(=O)Nc1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1 |r|
c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F
[H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F
NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 |r,t:1,31|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23|
CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:6,26|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,23|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@H]1CCCCO1)-c1cccnc1F |r,t:1|
CC1(C)CN(CCO1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:26|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@H](F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccn1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:25|
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r|
Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCCO1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1ncccc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Cc1ccc(cn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O
CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O
CN1CCN(CCCn2nc(C3=C(C(=O)NC3=O)c3cn(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)CC1 |t:11|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cncc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCCC2)c2ccccc12 |c:5|
O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCOCC2)c2ccccc12 |c:5|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r|
Cl.C1CCN(C1)C12CC(C(CNC1)C(C2)c1ccccc1)c1ccccc1 |THB:21:8:13.14:12.11.10,15:13:8.7:12.11.10,(6.25,-1.11,;3.69,2.29,;2.84,3.58,;1.35,3.17,;1.3,1.64,;2.73,1.09,;.02,.79,;,2.34,;-.7,1.05,;-.62,-.75,;.87,-.68,;1.96,-1.45,;1.56,.11,;-1.7,-1.51,;-1.36,.04,;-2.55,-2.79,;-3.98,-3.3,;-4.25,-4.82,;-3.08,-5.81,;-1.63,-5.29,;-1.35,-3.78,;-2.2,1.4,;-2.35,2.95,;-3.75,3.6,;-5,2.71,;-4.86,1.17,;-3.46,.53,)|
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@H]3CCCCN3)O
CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)|
Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)|
Fc1cnc2ccc(=O)n3CC(F)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.69,.87,;-2.62,.24,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;,.24,)|
CO[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:2.1,(-1.72,5.11,;-2.94,4.91,;-3.47,3.47,;-2.52,2.26,;-.98,2.47,;-.6,1.02,;.93,.83,;1.87,2.08,;.44,1.53,;.22,3.06,;1.25,3.49,;-.27,3.69,;3.37,1.84,;3.93,.39,;5.46,.15,;6.43,1.35,;7.97,1.1,;8.53,-.34,;10.05,-.58,;10.61,-2.03,;9.64,-3.23,;10.08,-4.38,;8.11,-2.99,;7.56,-1.54,;6.03,-1.3,;-4.92,4.74,;-6.22,3.88,;-5.74,2.44,;-4.27,2.13,;-3.78,.69,;-2.57,.44,;-4.79,-.43,;-6.28,-.12,;-6.74,1.31,;-8.23,1.63,;-8.71,3.07,;-7.71,4.19,;-8.09,5.37,)|
CO[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wU:2.1,(-1.72,5.11,;-2.94,4.91,;-3.47,3.47,;-2.52,2.26,;-.98,2.47,;-.6,1.02,;.93,.83,;1.87,2.08,;.44,1.53,;.22,3.06,;1.25,3.49,;-.27,3.69,;3.37,1.84,;3.93,.39,;5.46,.15,;6.43,1.35,;7.97,1.1,;8.53,-.34,;10.05,-.58,;10.61,-2.03,;9.64,-3.23,;10.08,-4.38,;8.11,-2.99,;7.56,-1.54,;6.03,-1.3,;-4.92,4.74,;-6.22,3.88,;-5.74,2.44,;-4.27,2.13,;-3.78,.69,;-2.57,.44,;-4.79,-.43,;-6.28,-.12,;-6.74,1.31,;-8.23,1.63,;-8.71,3.07,;-7.71,4.19,;-8.09,5.37,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)CN2c3c1c(F)cnc3CCC2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)|
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)CN2c3c1c(F)cnc3CCC2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;3.71,-1.88,;2.64,.24,;3.71,.87,)|
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;3.71,-1.88,;2.64,.24,;3.71,.87,)|
OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(Cl)c2=O |(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;3.71,-1.88,;2.64,.24,;3.71,.87,)|
Cc1cc(=O)n2C[C@@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23 |r,wU:7.7,(1.32,-3.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;,.24,)|
Cc1cc(=O)n2C[C@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23 |r,wD:7.7,(1.32,-3.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;,.24,)|
OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3c(Cl)cc2=O |(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;1.32,-3.26,;2.64,-1.26,;2.64,.24,;3.71,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)c(Cl)nc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-3.69,-1.88,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)cnc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)|
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)cnc3ccc2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)|
COc1cnc2ccc(=O)n3C[C@@](O)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:12.12,(-5.03,.4,;-3.96,1.02,;-2.62,.24,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;,.24,)|
COc1ccc(cc1)[C@@H](O)C[C@@H]1N(C)CCc2cc(OC)c(OC)cc12
COc1cc2CCN(C)[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC
Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
COc1cccc(CN2CCCCCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
COc1cccc(C(=O)N2CCCC2)c1OCc1csc(n1)-c1ccc(Cl)cc1
COc1cccc(CN2CCCCCCC2)c1OCc1csc(n1)-c1ccccc1
Clc1ccc(cc1)-c1nc(COc2ccccc2CN2CCCCCCC2)cs1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1cccs1)C(=O)NC |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
C1Oc2ccccc2-n2cnc(C#Cc3ccccc3)c12
Cc1nc(cn1-c1ccc(F)cc1)C#Cc1ccnc(C)c1
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F |(1.89,3.88,;2.81,3.06,;4.31,3.38,;5.09,2.05,;6.62,1.89,;8.15,1.73,;9.68,1.58,;10.31,.17,;11.84,.01,;12.74,1.26,;12.12,2.66,;12.84,3.66,;10.58,2.82,;4.06,.91,;4.31,-.3,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;1.33,-.77,;2.4,-1.39,)|
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2ccnn2)c(F)c1
Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1
S=C(Nc1ccccc1)Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1
N#Cc1c(\N=c2/sc(nn2-c2ccccc2)-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1
CC(=O)c1nn(-c2ccccc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1
CC(=O)c1nn(-c2ccc(C)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1
COc1ccc(cc1)-n1nc(s\c1=N/c1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)C(C)=O
CC(=O)c1nn(-c2ccc(Cl)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1
CCOC(=O)c1nn(-c2ccccc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1
CCOC(=O)c1nn(-c2ccc(C)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1
CCOC(=O)c1nn(-c2ccc(Cl)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1
O=C(Nc1ccccc1)c1nn(-c2ccccc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1
O=C1CS\C(=N/c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)N1c1ccccc1
N#Cc1c(\N=c2/scc(-c3ccccc3)n2-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1
O=C1N(\C(S\C1=C1/SC(=NN1c1ccccc1)c1ccccc1)=N\c1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)c1ccccc1 |c:9|
CC(=O)C1=NN(\C(S1)=C1\S\C(=N/c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)N(C1=O)c1ccccc1)c1ccccc1 |t:3|
CCOC(=O)C1=NN(\C(S1)=C1\S\C(=N/c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)N(C1=O)c1ccccc1)c1ccccc1 |t:5|
O=C(Nc1ccccc1)C1=NN(\C(S1)=C1\S\C(=N/c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)N(C1=O)c1ccccc1)c1ccccc1 |t:10|
CCOc1nc(NC(=O)C2(CCC2)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(F)cn4)n(C)c3c2)ccc1\C=C\C(O)=O
CCOc1nc(NC(=O)C2(CCC2)NC(=O)c2ccc3n(C4CCCCC4)c(c(C)c3c2)-c2ccc(F)cn2)ccc1\C=C\C(O)=O
c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl
NC(=O)C1CCN(CC1)c1c(Cl)cncc1Cl
Clc1cncc(-c2ccc3cnccc3c2)c1N1CCC2(CCNC2=O)CC1
CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1 |(-2.46,-2.45,;-3.55,-1.37,;-4.65,-2.45,;-4.65,-.28,;-2.46,-.29,;-.25,.02,;1.21,-.52,;2.5,.76,;.28,.48,;-1.23,1.41,;2.51,2.3,;3.85,3.05,;5.17,2.28,;5.17,.76,;6.5,-.02,;3.82,-.02,;3.82,-1.56,;5.15,-2.33,;5.15,-3.86,;6.48,-4.63,;7.82,-3.86,;7.82,-2.31,;6.48,-1.54,;9.15,-4.63,;9.15,-6.17,;10.48,-3.85,;11.81,-4.62,;13.22,-3.99,;14.25,-5.13,;13.48,-6.45,;11.98,-6.14,;6.5,3.04,;6.5,4.58,;7.83,5.34,;9.17,4.58,;10.5,5.33,;11.83,4.55,;11.05,3.23,;13.16,3.79,;12.59,5.9,;9.15,3.03,;7.83,2.27,)|
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1 |r|
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1 |r|
COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1 |r|
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1 |r|
Cc1cc(cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1)C(C)(C)O |r|
Cc1cc(CC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1 |r|
Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1 |r|
COc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(n2)C(F)(F)F)c1 |r|
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CCS(C)(=O)=O)cnc2C(N)=O)c1 |r|
Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1 |r|
Cc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CC(F)F)cnc2C(N)=O)c1 |r|
Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N
N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1 |r|
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
N[C@H]1CCCC[C@H]1Nc1ccc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)=C
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC=C
Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Clc1ccc(cc1Cl)-n1cc(NCCN2CCCCC2)nn1
Clc1ccc(c(Cl)c1)-n1cc(NCCN2CCCCC2)nn1
Clc1ccc(cc1)-n1cc(NCCN2CCCCC2)nn1
Fc1cccc(c1)-n1cc(NCCN2CCCCC2)nn1
Fc1ccc(cc1F)-n1cc(NCCN2CCCCC2)nn1
Clc1ccc(cc1Cl)-n1cc(NCCN2CCOCC2)nn1
Fc1cccc(c1)-n1cc(NCCN2CCCOCC2)nn1
Fc1ccc(cc1F)-n1cc(NCCN2CCC(F)(F)CC2)nn1
C(CN1CCCCC1)Nc1cn(Cc2ccccc2)nn1
Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
Fc1cccc(Cn2cc(NCCN3CCCCC3)nn2)c1
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1F
Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl
Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl
C(CN1CCCCCC1)Nc1cn(Cc2ccccc2)nn1
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1
C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1 |r|
C(CN1CCOCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:19:18:15:21.20.22,19:20:17.18.23:15,23:18:21:14.15.22,11:14:21:17.18.19|
CCN(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:21:20:17:23.22.24,21:22:19.20.25:17,25:20:23:16.17.24,13:16:23:19.20.21|
COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
CNC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(=O)N2CCCC2)cc1
CNC(=O)c1ccc(COc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
COc1ccc(cc1)C(=O)Oc1ccc(cc1)S(=O)(=O)C1(CCC2(C1)CCNCC2)C(=O)NO
CNC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)[C@]2(CCC3(C2)CCNCC3)C(=O)NO)cc1 |r|
CNC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@]2(CCC3(C2)CCNCC3)C(=O)NO)cc1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18|
C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11|
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1cncc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1 |r|
CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5|
Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4|
[H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8|
Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
OC(=O)C1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1
COc1ccc(OC(F)(F)F)cc1CNC1CCC2CCC1(N2)c1ccccc1
CS(=O)(=O)NCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r|
FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3NC2(CC3c2nnn[nH]2)c2ccccc2)c1
OCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1
Fc1ccc(cc1)C12CC(CNS(=O)(=O)c3ccccc3)C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2
CS(=O)(=O)NC(=O)C1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccc(F)cc1
FC(F)(F)Oc1ccc(Cl)c(CNC2CCC3CCC2(N3)c2ccccc2)c1
Fc1ccc(cc1)C12CC(C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2)C(=O)NS(=O)(=O)c1ccccc1
FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3NC2(CC3c2n[nH]c(=O)[nH]2)c2ccccc2)c1
FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3CCC2(N3)c2ccccc2)c1
C[C@@H]1CNC[C@H]2Cc3ccc(C)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
COc1ccc2ncc(Cl)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
COc1ccc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(12.5,-1.74,;11.45,-1.08,;11.5,.46,;12.86,1.18,;12.91,2.74,;11.6,3.55,;11.65,5.09,;10.35,5.91,;8.99,5.19,;8.93,3.65,;7.57,2.93,;6.26,3.75,;4.92,3.04,;4.11,1.75,;3.02,2.83,;2.25,1.48,;2.25,3.04,;3.58,3.79,;3.58,.71,;4.92,1.48,;.91,.76,;-.4,1.57,;-1.76,.83,;-1.8,-.71,;-3.17,-1.44,;-4.48,-.64,;-5.84,-1.37,;-7.15,-.57,;-7.11,.97,;-8.16,1.62,;-5.76,1.71,;-4.44,.9,;-3.09,1.64,;10.24,2.83,;10.19,1.29,)|
COc1ccc2ncc(C#N)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(10.08,3.36,;9.72,4.54,;8.21,4.88,;7.75,6.35,;6.25,6.69,;5.21,5.56,;3.7,5.9,;2.64,4.76,;3.1,3.29,;2.05,2.16,;1.21,1.25,;4.62,2.96,;5.08,1.48,;4.04,.35,;4.5,-1.1,;4.11,-2.61,;5.65,-2.58,;5.34,-3.86,;3.85,-3.69,;3.41,-2.22,;6.41,-2.96,;5.99,-1.48,;3.82,-3.59,;2.82,-4.77,;1.3,-4.5,;.31,-5.68,;-1.21,-5.4,;-1.73,-3.95,;-3.25,-3.68,;-3.78,-2.22,;-2.79,-1.04,;-3.2,.12,;-1.26,-1.33,;-.74,-2.78,;.78,-3.05,;5.66,4.09,;7.17,3.75,)|
COc1ccc2ncc(c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1)C(F)(F)F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,;4,1.54,;5.07,.93,;4,2.78,;5.07,2.16,)|
COc1ccc2ncc(C(F)F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4.01,1.54,;5.07,.92,;4.01,2.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(C)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(CO)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4.01,1.54,;5.07,.92,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1)S(C)(=O)=O |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,;4,1.54,;5.07,2.16,;5.07,.93,;4,2.78,)|
COc1ccc2ncc(OC)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4.01,1.54,;5.07,.92,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(O)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-3.75,1.39,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COC(=O)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-5.09,3.71,;-4.02,3.09,;-4.02,1.54,;-5.09,.93,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C#N |(-12.24,-4.65,;-12.56,-5.84,;-14.04,-6.24,;-14.44,-7.72,;-13.36,-8.81,;-13.75,-10.3,;-12.66,-11.41,;-11.17,-11.01,;-10.78,-9.5,;-11.87,-8.41,;-11.47,-6.93,;-9.98,-6.52,;-9.58,-5.03,;-8.11,-4.64,;-7.75,-3.13,;-6.28,-2.7,;-5.35,-3.86,;-5.52,-5.26,;-6.99,-5.7,;-6.24,-4.82,;-7.05,-3.51,;-4.02,-3.09,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-10.08,-12.1,;-9.21,-12.97,)|
Nc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-3.75,1.39,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
CN(C)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-5.09,.93,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)N1CCOCC1 |(3.74,1.39,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;-4.02,1.55,;-4.02,3.09,;-5.36,3.86,;-6.69,3.09,;-6.69,1.54,;-5.36,.77,)|
COc1cc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,;-2.69,.77,;-4.02,1.54,;-4.02,2.78,)|
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)|
COc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
CCOc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-5.09,3.71,;-4.02,3.09,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1C(F)(F)F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-.93,;-4.02,-2.78,;-5.09,-2.16,)|
Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc12)S(C)(=O)=O |(-1.33,-2.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-4.02,1.54,;-5.09,2.16,;-5.09,.93,;-4.02,2.78,)|
Fc1cnc2cc(cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C(F)(F)F
CN(C)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2c1 |(-4.02,-2.78,;-4.02,-1.54,;-5.09,-.93,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)|
Fc1cnc2cc(Cl)cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 |(3.74,1.39,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,)|
O=C1COc2ccc(CNC34CCC(CCc5c(cnc6ccc(nc56)C#N)C#N)(CC3)OC4)nc2N1 |(10.96,15.37,;9.76,15.09,;8.71,16.22,;7.21,15.87,;6.76,14.39,;5.26,14.04,;4.8,12.56,;5.86,11.44,;5.41,9.96,;3.9,9.61,;3.46,8.16,;4.56,7.06,;4.17,5.57,;2.68,5.4,;2.67,3.85,;1.34,3.08,;1.33,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;-4.02,1.54,;-5.09,2.16,;4,1.54,;5.07,2.16,;2.27,6.67,;3.81,6.67,;1.58,6.27,;1.98,7.74,;7.37,11.8,;7.81,13.27,;9.31,13.62,)|
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1Cl |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)|
COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,;-2.69,.77,;-4.02,1.54,;-4.02,2.78,)|
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)|
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-2.16,)|
COc1cc(C)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1cc(OC)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.39,-3.71,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
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COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1C(O)=O
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FC(F)(F)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1 |(-5.09,-.93,;-4.02,-1.54,;-4.02,-2.78,;-5.09,-2.16,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)|
COc1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1 |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,)|
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CCOC(=O)c1c(OC)cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12 |(-3.72,-6.03,;-2.65,-5.41,;-2.66,-3.86,;-1.33,-3.08,;-.26,-3.7,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-5.09,-.92,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,)|
COc1ccc2ncc(C#N)c(CC(O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.07,2.16,;1.33,1.54,;1.34,3.08,;2.67,3.85,;3.74,3.23,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:7.7,wD:10.14,(21.57,7.05,;20.81,5.71,;20.17,7.11,;18.64,6.94,;18.33,5.43,;19.67,4.67,;19.84,3.14,;17.01,4.65,;18.34,3.87,;18.34,2.33,;17.01,1.57,;15.68,2.33,;15.68,3.87,;17.01,.03,;15.67,-.74,;15.67,-2.27,;16.99,-3.05,;15.66,-3.81,;15.97,-5.32,;17.5,-5.49,;18.13,-4.08,;18.34,-2.28,;18.34,-.74,;15.66,5.42,;15.66,6.97,;14.32,7.75,;12.98,6.96,;12.99,5.41,;14.33,4.64,;22.32,5.4,;23.63,6.19,;24.97,5.43,;24.99,3.89,;23.66,3.11,;22.32,3.87,;23.67,1.57,;23.66,.03,;25.21,1.57,;22.13,1.56,;26.3,6.22,;27.62,7,;25.51,7.56,;27.09,4.9,)|
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FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1 |wU:21.22,wD:24.29,(25.64,-8.51,;24.32,-9.29,;23.54,-7.97,;25.11,-10.61,;23,-10.08,;21.66,-9.32,;20.34,-10.11,;20.35,-11.65,;21.68,-12.4,;23.01,-11.62,;21.7,-13.94,;21.68,-15.48,;23.24,-13.94,;20.16,-13.95,;18.99,-9.37,;18.99,-7.83,;17.66,-7.05,;16.33,-7.83,;16.33,-9.37,;17.66,-10.13,;17.68,-11.67,;15.01,-10.15,;16.34,-10.93,;16.34,-12.47,;15.01,-13.23,;13.68,-12.47,;13.68,-10.93,;15.01,-14.77,;13.67,-15.54,;13.67,-17.07,;15,-17.85,;13.66,-18.61,;13.97,-20.12,;15.5,-20.29,;16.13,-18.88,;16.34,-17.08,;16.34,-15.54,;13.67,-9.38,;13.67,-7.83,;12.32,-7.06,;10.98,-7.84,;10.99,-9.4,;12.34,-10.16,)|
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1 |wU:20.21,wD:23.28,(4.25,-27.42,;2.93,-28.2,;2.14,-26.88,;3.71,-29.53,;1.6,-28.99,;.26,-28.24,;-1.06,-29.02,;-1.05,-30.56,;.29,-31.32,;1.62,-30.54,;.3,-32.86,;.29,-34.39,;1.84,-32.86,;-1.24,-32.87,;-2.56,-28.72,;-3.2,-27.31,;-4.73,-27.49,;-5.04,-29,;-3.7,-29.76,;-3.53,-31.29,;-6.36,-29.77,;-5.03,-30.55,;-5.03,-32.09,;-6.36,-32.85,;-7.69,-32.09,;-7.69,-30.55,;-6.36,-34.39,;-7.7,-35.17,;-7.7,-36.72,;-6.36,-37.48,;-5.03,-36.7,;-3.7,-37.47,;-5.03,-35.17,;-6.36,-39.02,;-7.69,-39.79,;-7.68,-41.33,;-6.35,-42.1,;-5.01,-41.31,;-5.02,-39.78,;-7.71,-29,;-7.71,-27.45,;-9.05,-26.68,;-10.39,-27.46,;-10.38,-29.02,;-9.04,-29.78,)|
CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1Cl)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:7.7,wD:10.14,(21.77,-10.25,;21.01,-11.59,;20.37,-10.19,;18.84,-10.36,;18.53,-11.87,;19.87,-12.63,;20.05,-14.16,;17.21,-12.65,;18.54,-13.42,;18.54,-14.96,;17.21,-15.73,;15.88,-14.96,;15.88,-13.42,;17.21,-17.27,;15.87,-18.04,;15.87,-19.59,;17.21,-20.35,;18.54,-19.58,;19.88,-20.34,;18.54,-18.04,;17.22,-21.89,;15.89,-22.66,;15.89,-24.2,;17.23,-24.97,;18.56,-24.19,;18.55,-22.65,;19.88,-21.87,;15.87,-11.88,;15.87,-10.33,;14.52,-9.56,;13.18,-10.33,;13.19,-11.89,;14.54,-12.66,;22.52,-11.9,;23.84,-11.11,;25.18,-11.86,;25.19,-13.41,;23.86,-14.19,;22.52,-13.43,;23.87,-15.73,;23.86,-17.26,;25.41,-15.73,;22.33,-15.74,;26.5,-11.08,;27.82,-10.3,;25.72,-9.75,;27.29,-12.4,)|
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(-1.44,6.48,;-1.42,4.94,;-2.75,4.16,;-2.74,2.62,;-4.09,4.92,;-5.41,4.15,;-4.09,3.37,;-4.09,1.83,;-5.41,1.07,;-6.74,1.83,;-6.74,3.37,;-5.41,-.47,;-6.75,-1.24,;-6.75,-2.78,;-5.43,-3.55,;-6.77,-4.31,;-6.45,-5.82,;-4.92,-5.99,;-4.29,-4.59,;-4.09,-2.79,;-4.08,-1.24,;-6.76,4.92,;-6.76,6.47,;-8.1,7.24,;-9.44,6.46,;-9.43,4.9,;-8.09,4.14,;-.08,4.18,;1.23,4.97,;2.57,4.22,;2.59,2.67,;1.26,1.89,;-.08,2.65,;1.27,.35,;1.26,-1.18,;2.81,.35,;-.27,.34,;3.9,5,;5.22,5.79,;3.11,6.33,;4.68,3.68,)|
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CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:7.7,wD:10.14,(-1.74,-10.05,;-2.5,-11.39,;-3.14,-9.98,;-4.67,-10.16,;-4.98,-11.67,;-3.64,-12.43,;-3.47,-13.96,;-6.3,-12.44,;-4.97,-13.22,;-4.97,-14.76,;-6.3,-15.52,;-7.63,-14.76,;-7.63,-13.22,;-6.3,-17.06,;-7.64,-17.84,;-7.64,-19.39,;-6.3,-20.15,;-4.97,-19.37,;-3.63,-20.14,;-4.97,-17.84,;-6.29,-21.69,;-7.63,-22.46,;-7.62,-24,;-6.28,-24.77,;-4.95,-23.98,;-4.96,-22.45,;-7.65,-11.67,;-7.65,-10.12,;-8.99,-9.35,;-10.33,-10.13,;-10.32,-11.69,;-8.98,-12.45,;-.99,-11.7,;.32,-10.91,;1.66,-11.66,;1.68,-13.21,;.35,-13.99,;-.99,-13.23,;.36,-15.53,;.35,-17.06,;1.9,-15.53,;-1.18,-15.54,;2.99,-10.88,;4.31,-10.09,;2.2,-9.55,;3.78,-12.2,)|
COC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:8.8,wD:11.15,(-3.15,-27.7,;-2.75,-29.19,;-3.83,-30.29,;-4.47,-28.88,;-6,-29.06,;-6.31,-30.57,;-4.97,-31.33,;-4.8,-32.86,;-7.63,-31.34,;-6.3,-32.12,;-6.3,-33.66,;-7.63,-34.42,;-8.96,-33.66,;-8.96,-32.12,;-7.63,-35.96,;-8.97,-36.73,;-8.97,-38.27,;-7.65,-39.04,;-8.98,-39.8,;-8.67,-41.31,;-7.14,-41.48,;-6.51,-40.08,;-6.3,-38.28,;-6.3,-36.73,;-8.98,-30.57,;-8.98,-29.02,;-10.32,-28.25,;-11.67,-29.03,;-11.65,-30.59,;-10.31,-31.35,;-2.32,-30.6,;-1.01,-29.81,;.33,-30.56,;.35,-32.11,;-.98,-32.89,;-2.32,-32.13,;-.97,-34.43,;-.98,-35.96,;.57,-34.43,;-2.51,-34.44,;1.66,-29.78,;2.98,-28.99,;.87,-28.45,;2.45,-31.1,)|
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(16.42,-28.4,;16.42,-29.94,;15.09,-30.71,;15.11,-32.24,;13.76,-29.94,;12.44,-30.72,;13.76,-31.5,;13.76,-33.04,;12.44,-33.8,;11.11,-33.04,;11.11,-31.5,;12.44,-35.34,;11.1,-36.11,;11.1,-37.64,;12.42,-38.42,;13.76,-37.65,;15.09,-38.43,;13.77,-36.11,;12.42,-39.95,;11.08,-40.72,;11.07,-42.25,;12.4,-43.03,;13.74,-42.26,;13.74,-40.73,;11.09,-29.95,;11.09,-28.4,;9.75,-27.63,;8.41,-28.41,;8.42,-29.97,;9.76,-30.73,;17.77,-30.68,;19.08,-29.9,;20.42,-30.65,;20.44,-32.2,;19.11,-32.98,;17.77,-32.22,;19.12,-34.52,;19.11,-36.05,;20.66,-34.52,;17.58,-34.52,;21.75,-29.86,;23.07,-29.08,;20.96,-28.54,;22.53,-31.19,)|
CN(C)[C@H]1CC[C@@](CC1)(N1CCC(C1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |wU:6.9,wD:3.2,(12.76,-1.5,;14.09,-.73,;15.43,-1.5,;14.09,.81,;15.42,1.57,;15.42,3.11,;14.09,3.89,;12.76,3.11,;12.76,1.57,;15.42,4.67,;15.72,6.18,;17.25,6.35,;17.89,4.95,;16.76,3.91,;16.93,2.38,;19.4,4.64,;20.72,5.43,;22.06,4.67,;22.07,3.12,;20.74,2.34,;19.41,3.1,;20.76,.8,;20.74,-.73,;22.3,.8,;19.22,.8,;23.38,5.46,;24.7,6.24,;22.6,6.78,;24.17,4.13,;12.75,4.66,;12.75,6.21,;11.4,6.98,;10.06,6.2,;10.07,4.64,;11.42,3.88,)|
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(on2)-c2cccs2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.33,;.93,2.51,;.33,3.93,;-1.21,4.15,;-1.6,2.69,;-3.13,2.51,;-4.07,3.76,;-2.64,3.2,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.14,2.07,;-7.68,1.83,;-8.37,.46,;-9.9,.71,;-10.14,2.24,;-8.75,2.94,;-11.01,-.39,;-10.87,-1.92,;-12.31,-2.5,;-13.31,-1.32,;-12.5,0,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.65,.25,;3.72,.87,;2.65,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3SCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-12.31,-2.7,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.65,3.05,;-10.18,2.81,;-11.15,4.02,;-12.68,3.79,;-13.46,4.76,;-13.25,2.35,;-12.28,1.14,;-10.75,1.37,;-9.78,.16,;-8.23,.39,;-7.46,-.58,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.65,3.05,;-10.18,2.81,;-11.15,4.02,;-12.68,3.79,;-13.46,4.76,;-13.25,2.35,;-12.28,1.14,;-10.75,1.37,;-9.78,.16,;-8.23,.39,;-7.46,-.58,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
Cc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2 |r,wD:19.21,(-7.46,-.58,;-8.23,.39,;-9.78,.16,;-10.75,1.37,;-12.28,1.14,;-13.25,2.35,;-12.68,3.79,;-13.46,4.76,;-11.15,4.02,;-10.18,2.81,;-8.65,3.05,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,)|
CCc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2 |r,wD:20.22,(-7.72,-1.98,;-7.26,-.82,;-8.23,.39,;-9.78,.16,;-10.75,1.37,;-12.28,1.14,;-13.25,2.35,;-12.68,3.79,;-13.46,4.76,;-11.15,4.02,;-10.18,2.81,;-8.65,3.05,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2OC(=O)c2ccccc2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.2,4.12,;-1.59,2.67,;-3.11,2.49,;-4.05,3.74,;-2.62,3.18,;-2.4,4.71,;-3.43,5.14,;-1.91,5.33,;-5.55,3.5,;-6.1,2.06,;-7.63,1.82,;-8.61,3.03,;-10.13,2.8,;-11.09,4,;-12.61,3.77,;-13.39,4.73,;-13.17,2.33,;-12.21,1.13,;-10.69,1.36,;-9.73,.16,;-8.19,.39,;-7.23,-.82,;-7.79,-2.26,;-9.01,-2.44,;-6.83,-3.46,;-7.39,-4.9,;-6.42,-6.11,;-4.9,-5.87,;-4.34,-4.44,;-5.3,-3.23,;-1,2.52,;-1.3,1,;,.24,;1.31,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.31,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3NC(=O)COc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.31,-2.7,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.33,;.93,2.51,;.33,3.94,;-1.21,4.15,;-1.6,2.69,;-3.14,2.51,;-4.07,3.76,;-2.64,3.21,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.15,2.07,;-7.68,1.84,;-8.65,3.04,;-10.2,2.8,;-10.76,1.35,;-12.29,1.11,;-12.85,-.33,;-11.88,-1.54,;-12.33,-2.7,;-10.35,-1.3,;-9.79,.14,;-8.26,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.65,.25,;3.72,.87,;2.65,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-12.26,-2.68,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
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CC1COc2cnc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)cc2O1 |r,wD:15.15,(-12.31,-2.7,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2C#N)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.24,-.83,;-6.48,-1.8,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-7.47,-.59,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCSc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3c(OCCS3(=O)=O)cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.11,-1.08,;-10.81,-2.45,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCS(=O)(=O)c3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-11.8,2.26,;-13.5,.89,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3nn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.24,.38,;-9.77,.14,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2c(Cl)cc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-8.16,4.18,;-10.14,2.78,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3c(Cl)c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.61,3.03,;-10.14,2.8,;-11.1,4,;-12.62,3.77,;-13.19,2.34,;-12.22,1.13,;-10.7,1.36,;-9.74,.16,;-10.19,-.99,;-8.19,.39,;-7.42,-.58,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(Cl)c3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.6,3.03,;-10.14,2.78,;-10.91,3.74,;-10.69,1.34,;-12.22,1.11,;-12.78,-.33,;-11.81,-1.53,;-10.29,-1.3,;-9.73,.14,;-8.21,.38,;-7.43,-.59,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3NCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.77,.14,;-8.24,.38,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
CN1CCOc2ccc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)nc12 |r,wD:16.16,(-9.56,-2.27,;-10.33,-1.3,;-11.86,-1.54,;-12.83,-.33,;-12.27,1.11,;-10.74,1.35,;-10.18,2.79,;-8.64,3.04,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.24,.38,;-9.77,.14,)|
CN1CCN(C)c2nc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ccc12 |r,wD:16.16,(-13.05,2.08,;-12.27,1.11,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-9.56,-2.27,;-9.77,.14,;-8.24,.38,;-7.67,1.83,;-6.14,2.07,;-5.58,3.52,;-4.07,3.76,;-3.13,2.5,;-1.59,2.68,;-1.21,4.14,;.33,3.93,;.93,2.51,;2.15,2.32,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,;-2.42,4.73,;-2.64,3.2,;-1.92,5.36,;-3.45,5.16,;-8.64,3.04,;-10.18,2.79,;-10.74,1.35,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCOc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.63,3.04,;-10.19,2.82,;-10.74,1.37,;-12.19,.82,;-12.11,-.73,;-10.64,-1.13,;-9.78,.16,;-8.24,.37,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OC(F)(F)Oc3c2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.63,3.04,;-10.19,2.82,;-10.74,1.37,;-12.19,.82,;-12.11,-.73,;-13.26,-.26,;-11.9,-1.95,;-10.64,-1.13,;-9.78,.16,;-8.24,.37,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3SCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.15,;-1.6,2.69,;-3.13,2.51,;-4.07,3.76,;-2.64,3.2,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.14,2.07,;-7.68,1.83,;-8.25,.37,;-9.79,.16,;-10.65,-1.13,;-12.12,-.73,;-12.2,.82,;-10.75,1.37,;-10.19,2.82,;-8.64,3.05,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2c(F)cccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-10.24,2.5,;-12.21,1.12,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-12.21,1.12,;-12.99,2.08,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccc(F)cc2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.28,-1.29,;-11.81,-1.53,;-12.77,-.32,;-13.99,-.51,;-12.21,1.12,;-10.69,1.35,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NC\C(F)=C/c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.41,2.79,;-8.19,.38,;-7.23,-.82,;-5.7,-.58,;-4.73,-1.78,;-3.51,-1.59,;-5.29,-3.22,;-6.81,-3.46,;-7.78,-2.26,;-9,-2.45,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NC\C(F)=C\c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.41,2.79,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-12.21,1.12,;-12.99,2.08,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccccc2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.28,-1.29,;-11.81,-1.53,;-12.77,-.32,;-12.21,1.12,;-10.69,1.35,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccccn2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.14,;-1.59,2.68,;-3.13,2.5,;-4.07,3.76,;-2.64,3.2,;-2.42,4.73,;-3.45,5.16,;-1.92,5.36,;-5.58,3.52,;-6.14,2.07,;-7.67,1.83,;-8.23,.39,;-9.76,.15,;-10.74,1.36,;-12.27,1.12,;-12.83,-.33,;-11.86,-1.54,;-10.33,-1.3,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.26,;1.32,-2.02,;,-1.26,;-1.3,-2.02,;-2.62,-1.26,;-2.62,.25,;-3.7,.87,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCCCc2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.14,2.31,;.92,2.5,;.32,3.91,;-1.21,4.13,;-1.59,2.67,;-3.12,2.49,;-4.05,3.74,;-2.63,3.19,;-2.41,4.71,;-3.43,5.14,;-1.91,5.34,;-5.55,3.5,;-6.11,2.06,;-7.63,1.82,;-8.19,.38,;-9.72,.15,;-10.69,1.35,;-12.21,1.12,;-12.99,2.08,;-12.77,-.32,;-11.81,-1.53,;-10.28,-1.29,;-9.51,-2.26,;-1,2.52,;-1.3,1,;,.24,;1.32,1,;2.63,.24,;3.7,.86,;2.63,-1.26,;1.32,-2.01,;,-1.26,;-1.3,-2.01,;-2.61,-1.26,;-2.61,.24,;-3.68,.86,)|
O[C@@]1(CC23CCC(CC2)(CO3)NCOc2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(2.15,2.32,;.93,2.51,;.33,3.93,;-1.21,4.15,;-1.6,2.69,;-3.13,2.51,;-4.07,3.76,;-2.64,3.2,;-2.42,4.74,;-3.45,5.17,;-1.92,5.37,;-5.58,3.52,;-6.14,2.07,;-7.68,1.83,;-8.24,.39,;-7.26,-.82,;-7.82,-2.27,;-7.04,-3.24,;-9.35,-2.51,;-10.33,-1.3,;-9.77,.14,;-10.55,1.11,;-1,2.53,;-1.3,1,;,.25,;1.32,1,;2.64,.25,;3.72,.87,;2.64,-1.27,;1.32,-2.02,;,-1.27,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-3.7,.87,)|
FC(F)(F)c1cc(COC2CCC3CCC2(N3)c2ccccc2)cc(c1)C(F)(F)F |THB:8:9:16:13.14|
C[C@@H](OC1CCC2NC1(CC2S(=O)(=O)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3|
Cn1nnc(n1)C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:4:6:9:12.11.13,THB:14:13:9:6.7|
FC(F)(F)c1cc(COC2CCC3NC2(CC3S(=O)(=O)c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |TLB:8:9:13:16.15,THB:17:16:13:10.11.9|
C[C@@H](OC1CCC2NC1(CC2(F)c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:11:10:7:4.5.3,2:3:7:10.9,THB:12:10:7:4.5.3|
Cn1nnc(n1)C1(F)CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:4:6:10:13.12.14,THB:7:6:10:13.12.14,15:14:10:6.8|
Cn1nnnc1C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:5:6:9:12.11.13,THB:14:13:9:6.7|
C[C@@H](OC1CCC2NC1(CC2c1nnnn1C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3|
C[C@@H](OC1CCC2NC1(CC2c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3|
CC(C)(C)[C@H](O)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
CN(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:7|
O[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
CC(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
CC(C)(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:8|
N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
CN(C1CCNCC1)C(=O)N1CC(=CC1c1cccc(O)c1)c1cc(F)ccc1F |c:13|
CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3
CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
OC(=O)\C=C\c1ccc(Cc2c(-c3ccccc3)c(=O)oc3cc(O)ccc23)cc1
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(-5.36,-.45,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-7.73,3.72,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-2.68,.77,;-1.33,1.54,;-1.33,3.08,;.01,3.84,;1.34,3.07,;2.68,3.83,;2.69,5.37,;4.02,6.14,;4.03,7.68,;5.37,8.44,;6.43,7.82,;5.37,9.68,;1.36,6.15,;.02,5.38,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,)|
Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccccc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N
COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1 |t:20|
COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
CCC1C2CC3C4N(C)c5ccccc5C44CC(C2[C@H]4O)N3C1O |r,TLB:23:22:18.17:4.5,7:6:21:18.3.4,6:5:18.17:22.2,16:17:22.2:4.5,19:15:21:18.3.4,19:18:6.15.16:21,19:18:22.2:4.5,THB:2:3:6.15.16:21,1:2:18.17:4.5,20:19:16:6.21.5,3:18:16:6.21.5|
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
C1C(C2=NCCN2)C1(c1ccccc1)c1ccccc1 |t:2|
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC
CN(C)CCOC(c1ccccc1)c2ccccc2
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CN(C)CCCN1c2ccccc2CCc3c1cccc3
Cc1cccc(c1OC[C@@H](C)N)C
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
COc1ccc2nccc([C@H](O)[C@H]3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:20:19:12.13:16.15|
C(C1CC1)N1CC2CN(CC3CC3)CC(C1)C21CCCC1 |THB:9:8:16:4.5.15|
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1 |r|
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:32,51,t:47,49|
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O
CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C
CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
c1ccc(cc1)C(c2ccccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C(=O)N
[H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F
COc1ccc2n(C)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Clc1ccc2n(Cc3ccccc3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)c(C(=O)N2CCCC2)c1=O
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)c(C#N)c1=O
Clc1ccc2n(Cc3ccncc3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
COC(=O)c1c(NC2CCN(Cc3ccc4OCOc4c3)CC2)c2cc(Cl)ccc2n(C)c1=O
FC(F)(F)Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ncccc4c3)CC2)nc1=O
Cn1c2ccc(Cl)cc2c(NC2CCN(C\C=C\c3ccccc3)CC2)cc1=O
Cn1c2ccc(OC(F)(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
Clc1ccc2[nH]c(=O)c(C#N)c(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
FC(F)(F)Cn1c2ccc(Cl)cc2c(NC2CC3CCC(C2)N3Cc2ccc3OCOc3c2)nc1=O |TLB:14:15:22:18.19|
Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)cc1=O
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)c(C#N)c1=O
Cn1c2ccc(Cl)cc2c(NC2CC3CCC(C2)N3Cc2ccc3OCOc3c2)nc1=O |TLB:10:11:18:14.15|
Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)nc1=O
Clc1ccc2[nH]c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
FC(F)(F)Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)nc1=O
Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
CCCCCn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)nc1=O
Cn1c2ccc(OC(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 |r|
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1 |r|
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cn2ccccc2n1)c1ccc(F)cc1 |r|
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1 |r|
CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 |r|
CCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
COC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
CCCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
COCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
CC(C)CC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r|
CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1 |r|
CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](COc2ccccc2)C1 |r|
CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)NCC)C(F)(F)F)C1=O)N(C)C(C)C |r|
CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
OC(=O)\C=C/C(O)=O.CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1
O=C(N1CCN(CC1)C1CCC1)c1ccc(CN2CCOCC2)cc1
Cl.O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1
CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCC(F)CC2)cc1
FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CCC2)CC1
FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CC2)CC1
C[C@@H](O[C@H]1C[C@@H](C)C(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCC(=O)N(C)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCNC(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCc2n[nH]c(=O)n2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCN(C)C(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCn2ccnc2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCC(=O)N[C@@H](C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCn2c(C[C@@H]1c1ccc(F)cc1)n[nH]c2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCc2nccn2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCC(=O)N(C)[C@@H](C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1C[C@@H](C)NC(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1C[C@@H](C)C(=O)N(C)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1C[C@@H](C)N(C)C(=O)C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H](O[C@H]1CCC(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1
Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3ccccc23)c(F)c1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2-c2cccc3cccnc23)c(F)c1
Fc1cccc(c1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Fc1ccc(cc1)S(=O)(=O)N1CCC(F)(CCc2ccc(F)cc2F)CC1
Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)=CC1 |c:25|
Fc1ccc(cc1)S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1
Fc1ccc(CCC2CCN(CC2)C(=O)c2cccc3cccnc23)c(F)c1
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1
COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1
CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1
CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
Cl.CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:11:10:6.5:2|
COC(=O)c1ccc2[nH]c(NCCCNC(=O)c3cc(Cl)cc(Cl)c3)nc2c1
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCCNc1nc2ccccc2[nH]1
O=C(NCCCNc1nc2ccccc2[nH]1)c1ccc(CN2CCCC2)cc1
FC(F)(F)c1cc(ccn1)C(=O)NCCCNc1nc2ccccc2[nH]1
Clc1cc(Cl)cc(c1)C(=O)NCCCNc1nc2ccccc2[nH]1
Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1
CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
CC(C)CS(=O)(=O)N(C)CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CN(CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1)S(=O)(=O)CC1CCCCC1
O=C(Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1)C1CC1
[H][C@@]12CC(C)(C)CC[C@]11CC[C@]3(C)[C@]2(N(C2CCCCC2)C1=O)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@]2([H])CC[C@@]31C |r,t:29,33,THB:22:21:11.10.9:1,15:14:11.10.9:1|
CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
CCn1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
CC(C)n1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC2CC2)c(=O)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CCN(C)C)c(=O)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(O)=O)c(=O)o1 |r|
CCn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
CCn1cc(cn1)C1(NC(Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC)c(=O)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C(C)C)c(=O)o1 |r|
Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c(CN1)[nH]c1ccccc21 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(N)=O)c(=O)o1 |r|
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1 |r|
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cccnc1 |r|
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccncc1 |r|
Fc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCc2[nH]c3ccccc3c2C1 |r|
C1CCC(CC1)C1O[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
CC1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccccc1 |r|
Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)(c1ccccc1)C(F)(F)F |r|
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cnccn1 |r|
Fc1ccc(nc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)C1CCCCC1 |r|
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cn[nH]c1 |r|
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(CN)n1 |r|
Cc1nnc(o1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(C)n1 |r|
CCc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(CC2CC2)c1 |r|
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(O)n1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(C)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(O)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(S)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(SC)o1 |r|
CCc1nnc(o1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(N)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(NC)o1 |r|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(o1)N(C)C |r|
Cn1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cn[nH]c1 |r|
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O |r|
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc3c(N)noc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccccc1
OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)|
CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F
CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1
Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r|
CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCC(C)(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CN([C@@H]1CCN(CCCc2ccc(Cl)cc2)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2)c(C)n1 |r|
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2ccccc2)c(C)n1 |r|
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2F)c(C)n1 |r|
Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)cc2)c(C)n1 |r|
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cc(F)cc(F)c2)c(C)n1 |r|
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1 |r|
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1 |r|
COc1cc(ccc1N1CC[C@@H](O)C1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1 |r|
COc1cc(ccc1N1C[C@H](O)[C@@H](O)C1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1 |r|
CNC(=O)c1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Cc1nocc1C(=O)Nc1ccc(c(N)n1)-c1ccccc1OC(F)(F)F
CCCCCCCN(CC)CC#CC(c1ccccc1)c1ccccc1
C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1
[O-][N+](=O)c1ccc(CCNCCOc2ccc(cc2)[N+]([O-])=O)cc1
CN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
CCN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(CCN(CCF)CCOc2ccc(cc2)[N+]([O-])=O)cc1
[O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)CC#N)cc1
OC(=O)CN(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
CC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(CCN(CCOc2ccc(cc2)[N+]([O-])=O)C(=O)C(F)(F)F)cc1
CN(CCCCOc1ccc(cc1)[N+]([O-])=O)CCc1ccc(cc1)[N+]([O-])=O
CN(CCCCOc1ccc(cc1)[N+]([O-])=O)Cc1ccc(cc1)[N+]([O-])=O
CN(CCOc1ccc(Cl)c(Cl)c1)CCc1ccc(Cl)c(Cl)c1
COc1ccc(CCN(C)CCOc2ccccc2)cc1
Clc1ccc(cc1)C(=O)C1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Cc1ccc(cc1)C(=O)C1CCN(CCCc2ccccc2)CC1
O=C(N1CCN(CCc2ccccc2)CC1)c1ccccc1
C[N+]1(CCc2ccccc2)CCC(CC1)C(=O)c1ccc(Cl)cc1 |(-7.72,-.15,;-6.67,-.78,;-6.62,-2.3,;-5.29,-3.07,;-5.28,-4.61,;-3.95,-5.38,;-3.94,-6.92,;-5.28,-7.69,;-6.61,-6.92,;-6.61,-5.38,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-2.67,2.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
CCCCCCCN(CC)CCCCc1ccc(Cl)cc1
CCCCCCCN(CC)C\C=C\Cc1ccccc1
CCCCCCCN(CC)CC#Cc1ccc(C)cc1
CCCN(CC)CC#Cc1ccc(C)cc1
CCCCCCC[N+](CC)(CC)CC#Cc1ccc(Cl)cc1
CCCCCCCCc1cccc(CCCCCCCC)n1
CCCCCCc1cccc(CCCCCC)[n+]1C
CCCCCCCc1cccc(CCCCCCC)[n+]1C
CCCCCCCCc1cccc(CCCCCCCC)[n+]1C
CCCCCCCCCc1cccc(CCCCCCCCC)[n+]1C
CCCCCCCCCCc1cccc(CCCCCCCCCC)[n+]1C
CCCCCCCCCCCCc1cccc(CCCCCCCCCCCC)[n+]1C
CCCCCCCCCCC#Cc1cccc(C#CCCCCCCCCCC)[n+]1C
Clc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1
C[n+]1c(CCCOc2ccc(Cl)cc2)cccc1CCCOc1ccc(Cl)cc1
C[n+]1c(cccc1C#CCOc1ccc(Cl)cc1)C#CCOc1ccc(Cl)cc1
c1ccc(cc1)-c1ccc(cc1)C#Cc1cccc(n1)C#Cc1ccc(cc1)-c1ccccc1
C[n+]1c(CCc2ccc(cc2)-c2ccccc2)cccc1CCc1ccc(cc1)-c1ccccc1
C[n+]1c(cccc1C#CC1CCCCC1)C#CC1CCCCC1
C[n+]1c(cccc1C#Cc1ccccc1)C#Cc1ccccc1
Cc1ccccc1-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccccc2C)[n+]1C
Cc1cccc(c1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2cccc(C)c2)[n+]1C
COc1cccc(c1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2cccc(OC)c2)[n+]1C
C[n+]1c(cccc1C#Cc1ccc(cc1)-c1cccc(Cl)c1)C#Cc1ccc(cc1)-c1cccc(Cl)c1
Cc1ccc(cc1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccc(C)cc2)[n+]1C
COc1ccc(cc1)-c1ccc(cc1)C#Cc1cccc(C#Cc2ccc(cc2)-c2ccc(OC)cc2)[n+]1C
C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccc(O)cc1)C#Cc1ccc(cc1)-c1ccc(O)cc1
C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccc(Cl)cc1)C#Cc1ccc(cc1)-c1ccc(Cl)cc1
Fc1ccc(cc1)N(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
COc1ccc2[C@@H](C(C)C)N(CCc2c1)C(=O)CNCC1(O)CCCCC1 |r|
COc1ccc2[C@H](C(C)C)N(CCc2c1)C(=O)CNCC1(O)CCCCC1 |r|
C[C@H]1CN(CC[C@H]1Nc1c(cnc2[nH]ccc12)C(N)=O)c1ccc(cn1)C#N |r|
NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(C[C@H]1F)c1ccc(cn1)C#N |r|
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(nn1)C#N
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1cnc(cn1)C#N
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C#N
CCc1c(C)[nH]c2CCCC(=NNC(=O)Nc3ccccc3)c12 |w:11.11|
CCc1c(C)[nH]c2CCCC(=NOC(=O)Nc3ccccc3)c12 |w:11.11|
CCc1c(CC)n(C)c2CCCC(=NOC(=O)Nc3ccccc3)c12 |w:13.13|
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCSCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCCCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(OCCN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C(C)(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
C[C@@H](COc1ccc(F)cc1[C@@H](C)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O |r|
[H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|
[H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2NC(=O)C1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1ncn[nH]1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(OC)ccc1-n1nccn1 |r|
FC(F)Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Brc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Clc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccc(cc2o1)C#N
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCCOc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccccc2)CC1
COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c(F)c1
Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
CC(=O)c1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OC(F)(F)Oc3c2)CC1
COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
CCc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
CC(=O)Nc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2cc3OCOc3cc2Cl)CC1
O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccccc2o1
Fc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1
CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1 |w:5.5|
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(CC(=O)N(C)C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccccn1
CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN([C@H]1CCc2cc(CN3CCN(CC3)C(N)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(Cl)cn1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(Cl)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(Cl)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(F)cc1
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccccc1
CC(=O)N1CCN(Cc2ccc3C[C@H](CCc3c2)N2CCN(CCc3ccc(F)cc3)CC2=O)CC1
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Cl)cc2)CC1=O
Fc1ccc(CCN2CCN([C@H]3CCc4cc(Cn5ccnc5)ccc4C3)C(=O)C2)cc1
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCOCC5)ccc4C3)C(=O)C2)cc1
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(c2)C(F)(F)F)CC1=O
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCS(=O)(=O)CC5)ccc4C3)C(=O)C2)cc1
CN(C)C(=O)C(CO)N(C)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
CS(=O)(=O)N1CCN(Cc2ccc3C[C@H](CCc3c2)N2CCN(CCc3ccc(F)cc3)CC2=O)CC1
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCC(CC5)C(F)(F)F)ccc4C3)C(=O)C2)cc1
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCC2CCCCC2)CC1=O
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCC2CCCS2)CC1=O
COc1ccc2c(nc(C#N)c(-c3cccc(F)c3)c2c1)-n1cnc(C)c1
COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(CC(CO)NCc1cccnc1)c2=O
COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(C[C@@H](O)CO)c2=O
COc1ccc2c(NC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
COc1ccc2c(c1)c(-c1ccccc1)c(CN(C)C)n(C)c2=O
COc1ccc2c(nc(C#N)c(-c3ccccc3)c2c1)C(=O)NCCO
COc1ccc2c(c1)c(-c1cccc(c1)C(F)(F)F)c(C#N)n(CC(O)CO)c2=O
COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(CCO)c2=O
COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(C[C@H](O)CO)c2=O
COCCN(C)CCn1c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc2c1=O
COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(CC(O)CO)c2=O
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1cc(F)c(F)cc1F |r|
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CN1CCN(CC1)c1ccc2nc(Nc3ccc(Br)cn3)[nH]c2c1
CN1CCN(CC1)c1ccc2nc(Nc3ccc(C)cn3)[nH]c2c1
CN1CCN(CC1)c1cc(Cl)c2nc(Nc3ccc(Br)cn3)[nH]c2c1
CN1CCC(CC1)c1ccc2nc(Nc3ccc(cn3)C(F)(F)F)[nH]c2c1
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCCC1
CN1CCN(Cc2ccc3nc(Nc4ccc(cn4)C(F)(F)F)[nH]c3c2)CC1
CN1CCN(CC1)c1cc2[nH]c(Nc3cc(C4CC4)c(F)c(C)n3)nc2cn1
Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2c1ccc1OCOc21
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3OCC(=O)Nc3cc12
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3oc(=O)[nH]c3cc12
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12 |r|
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O |r|
COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
C[C@H](Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO)NCCOc3ccccc3OCC(F)(F)F
CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O |r|
Cc1cc(nc(n1)O[C@H](C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O
Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
CC(=O)N[C@H](COC)C(=O)NCc1ccccc1
CCc1nc2cc(CN3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)ccc2o1
CC(=O)Nc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ccc(=O)[nH]c3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3sccc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3oc(=O)[nH]c3c2)CC1
CCc1nc2ccc(CN3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)cc2o1
Cn1c2cc(CN3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)ccc2ccc1=O
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3occc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3cc[nH]c3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3[nH]ccc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3oc(=O)oc3c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ncoc3c2)CC1
C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1
OCC1CCCN(CCCC2CCCc3ccc(OCc4ccc(cn4)-c4ccccc4F)cc23)C1 |w:2.1,10.9|
CCN(Cc1cccc(OCc2noc(n2)-c2ccccc2F)c1)C1CCN(C1)C1CC(C)C(C)C1 |w:24.26,29.32,31.35,33.37|
CC(C)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:9.9|
OCC1(CCCC1)NCCCC1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:11.11|
OCC1(CCCC1)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:13.14|
CN1CCN(CC1)c1cccc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12
OCC1(CCCC1)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccccc3F)cc12 |w:13.14|
OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(n4)-c4ccccc4F)cc23)C1 |w:10.9,2.1|
Fc1ccccc1-c1nc(COc2ccc3CCC(N4CCN(CC4)C4CCCC4)c3c2)no1 |w:18.19|
CC1CC(CC1C)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:13.14,3.7,1.0,5.6|
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Fc1ccc(CN([C@H]2CCNC2)C2CCOCC2)c(F)c1F
Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12 |r|
CC(C)N1Cc2cc(ccc2C1=O)-c1onc(c1C)-c1ccc(F)cc1F
CC(C)N1Cc2cc(ccc2C1=O)-c1cc(no1)-c1ccc(Cl)nc1
COc1ccc(cn1)-c1cc(on1)-c1ccc2C(=O)N(Cc2c1)C(C)C
COc1c(ccc2c1n(cc(C(O)=O)c2=O)C1CC1)N1CC[C@H](C1)[C@H](C)NCCC#N
C[C@H](N)[C@@H]1CCN(C1)c1c(F)cc2c3c1OCC(C)n3cc(C(O)=O)c2=O |w:17.19|
CCC1(CNCCC#N)CN(C1)c1c(F)cc2c(c1C)n(cc(C(O)=O)c2=O)C1CC1
COC(=O)c1cn2[C@@H](C)COc3c(N4CCN(C)CC4)c(F)cc(c23)c1=O
CC1COc2c(N3CC[C@H](C3)[C@@H](N)CC#N)c(F)cc3c2n1cc(C(O)=O)c3=O |w:1.0|
COc1c(N2CC[C@@H](CN)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
COc1c(N2CC[C@H](C2)[C@H](C)N)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
CCC1(CN)CN(C1)c1c(F)cc2c(c1C)n(cc(C(O)=O)c2=O)C1CC1
COc1c(ccc2c1n(cc(C(O)=O)c2=O)C1CC1)N1CC[C@H](C1)[C@H](C)N
CN[C@@H](CC#N)[C@@H]1CCN(C1)c1c(F)cc2c3c1OCC(C)n3cc(C(O)=O)c2=O |w:20.22|
Cc1c(N2CC(C)(CN)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
C[C@H](NCCC#N)[C@@H]1CCN(C1)c1c(F)cc2c3c1OCC(C)n3cc(C(O)=O)c2=O |w:21.23|
COc1c(N2CC[C@@H](CNCCC#N)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
CN[C@@H](C)[C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1
COc1c(N2CC[C@H](C2)[C@H](C)NCCC#N)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
C[C@H](NCCC#N)[C@@H]1CCN(C1)c1c(F)cc2c(c1C)n(cc(C(O)=O)c2=O)C1CC1
COc1c(ccc2c1n(cc(C(O)=O)c2=O)C1CC1)N1CC[C@H](C1)[C@@H](N)CC#N
CN[C@@H](CC#N)[C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1
COc1c(N2CC[C@H](C2)[C@@H](N)CC#N)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
COc1c(ccc2c1n(cc(C(O)=O)c2=O)C1CC1)N1CC[C@@H](CNCCC#N)C1
Cc1c(N2CC(C)(CNCCC#N)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
C[C@H](N)[C@@H]1CCN(C1)c1c(F)cc2c(c1C)n(cc(C(O)=O)c2=O)C1CC1
COc1c(ccc2c1n(cc(C(O)=O)c2=O)C1CC1)N1CC[C@@H](CN)C1
c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)N=S(C)(C)=O)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)C(=O)OC1(COC1)C(F)(F)F |r|
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1 |r|
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1 |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)C#N)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)C#N)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1nnc(o1)C(F)(F)F |r|
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(NC(=O)CCN3CCCCC3)c(F)c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN(C3CC3)C3CC3)c(F)c2)CC1
COc1cc(ccc1CN1CCC(CC1)NC(=O)c1cc(=O)c2ccc(F)cc2o1)C(=O)NCCN1CCCC1
Oc1csc(=O)n1CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2Cl)C(=O)NCCN2CCCC2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCOCC3)c(F)c2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCCCC2)CC1
COC(C)(C)CCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1
CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)c(F)c2)CC1
CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCC(F)(F)CC2)CC1
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(C(=O)NCCN3CCCC3)c(F)c2)CC1
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r|
CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7|
CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |c:7|
CC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
CCCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNc3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(Cl)cc3)c2)CC1
COCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1=O
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3Cl)c2)CC1
CN1CCN(CC1)C(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCc3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOCC(N)=O)c2)CC1
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
NC(=O)N1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)c3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccnc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Nc3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNC(=O)Oc3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccc(Cl)c3)c2)CC1
CC1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
CN1CCN(CC1)c1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnc3)ccc-21
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cccn3)ccc-21
CC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCO)c2)CC1
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccccc-21
CN1CCN(CCc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCNS(=O)(=O)c3ccccc3)c2)CC1
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(C)c(C)c3)c2)CC1
COCCOc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
CN1CCC(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCSC3)ccc-21
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(CN4CCOCC4)cc3)c2)CC1
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnn3)ccc-21
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCOc3ccccc3)c2)CC1
C[C@@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F |r,wU:15.19,wD:12.12,1.0,(-2.36,10.63,;-1.3,10.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.04,10.77,;.05,12.01,;1.1,10.15,;1.11,11.38,)|
CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r|
COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
CN(C)Cc1cc(OCCCN2CCCCC2)ccc1Nc1ncnc2ccccc12
CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)CC)c1ccc(Cl)cc1 |r,wU:2.2,30.36,wD:8.41,27.29,(-5.34,5.09,;-5.34,3.86,;-4.01,3.08,;-2.94,3.7,;-4.01,1.54,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-2.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.07,;6.66,1.53,;5.33,.77,;8,3.84,;8.01,5.07,;9.34,3.07,;10.67,3.83,;12.01,3.06,;13.34,3.83,;13.34,5.37,;12.01,6.14,;10.68,5.37,;14.68,6.13,;16.01,5.36,;16.01,4.13,;17.35,6.12,;18.41,5.5,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.85,;6,2.31,;4.67,1.54,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-.67,-4.62,;.67,-5.39,;.67,-6.93,;2,-4.62,;2,-3.08,;2,,;3.33,-.77,;4.67,,;6,-.77,;7.34,,;8.67,-.77,;7.34,1.54,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-2,-2.31,;-6,-3.08,;-6,-4.62,;-7.34,-2.31,;-7.34,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-6,4.62,)|
CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
COc1cccc(c1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncccn4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccncc4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccnc4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccn4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cn4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4F)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12 |r|
COc1ccc(cc1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(C)c4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncc(C)s4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnc(C)s4)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4sc(C)nc4C)nn3c(N)nc12 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12 |r|
CCn1cc(cn1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 |r|
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(c4)C(C)(C)C)nn3c(N)nc12 |r|
Cc1ccc(Nc2nccc3ccc(NC(=O)CCCCCCC(=O)NO)cc23)cc1
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3cccc(Cl)c3F)c2c1
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccc4ccccc4c3)c2c1
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccc(Br)cc3F)c2c1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(nn2n1)C(F)(F)F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2nccnc2n1
Cc1cc(=O)n2nc(ccc2n1)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F
Cc1nnc2ccc(nn12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(=O)ccn2n1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccncn1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccn2cnnc2n1
C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r|
C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1 |r|
C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccc(F)cc1 |r|
C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1cnccn1 |r|
C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccccn1 |r|
COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl |r|
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1
Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1
Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C
CC(C)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|
NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)c4nc5cc(Cl)ccc5[nH]4)c3c2)cc1
NS(=O)(=O)c1ccc(Oc2ccc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1
Cc1cc2[nH]c(nc2cc1C#N)C1CCN(CCn2c3cc(Oc4ccc(cc4)S(N)(=O)=O)cnc3ccc2=O)CC1
Cc1ncc(CNC2CCN(CCn3c4cc(Oc5ccc(cc5)S(N)(=O)=O)cnc4ccc3=O)CC2)cc1Cl
Cc1ncc(CNC2CCN(CCn3c4cc(Oc5ccc(cc5)S(N)(=O)=O)cnc4ccc3=O)CC2)cc1C#N
O=C1COc2ccc(CNC3CCN(CCn4c5nc(Oc6cncnc6)ccc5ccc4=O)CC3)nc2N1
O=C1COc2ccc(CNC3CCN(CCn4c5nc(Oc6ccon6)ccc5ccc4=O)CC3)nc2N1
O=C1COc2ccc(CNC3CCN(CCn4c5cc(Oc6ccon6)cnc5ccc4=O)CC3)nc2N1
O=C1COc2ccc(CNC3CCN(CCn4c5cc(Oc6cccnc6)cnc5ccc4=O)CC3)nc2N1
Fc1cncc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3c2)c1
O=C1COc2ccc(CNC3CCN(CCn4c5cc(O[C@@H]6CCOC6)cnc5ccc4=O)CC3)nc2N1 |r|
O=C1COc2ccc(CNC3CCN(CCn4c5cc(O[C@H]6CCOC6)cnc5ccc4=O)CC3)nc2N1 |r|
O=C1COc2ccc(CNC3CCN(CCn4c5cc(OCc6ccccn6)cnc5ccc4=O)CC3)nc2N1
O=C1COc2ccc(CNC3CCN(CCn4c5cc(OCc6cccnn6)cnc5ccc4=O)CC3)nc2N1
Cn1ccc(COc2cnc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3c2)n1
F[C@H]1CN(CCn2c3cc(Oc4ccon4)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
F[C@H]1CN(CCn2c3cc(Oc4cccnc4)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r|
C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r|
CC(=O)N1N=C(C[C@@]1(CCCN1CCN(CC1)C(C)=O)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(C)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc2CCOCc2c1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1cccc(F)c1 |w:2.2,1.0|
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
CC(C(O)c1ccc2NC(=O)N(C)Cc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)OCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
OC(CN1CCC(O)(CC1)c1cccc(F)c1)c1ccc2NC(=O)CCc2c1 |w:1.0|
COc1cccc(c1)C1(O)CCN(CC1)C(C)C(O)c1ccc2NC(=O)CCc2c1 |w:17.19,15.17|
CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2NC(=O)NCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0|
CC(C(O)c1ccc2[nH]c(=O)oc2c1)N1CCC(O)(CC1)c1ccc(F)cc1
Oc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)NCc1ccccc1
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cn[nH]c1 |wU:4.3,7.7,(17.52,-15.71,;17.53,-17.25,;18.86,-18.01,;20.19,-17.24,;21.53,-18.01,;21.53,-19.55,;22.86,-20.31,;24.19,-19.55,;25.52,-20.32,;26.85,-19.55,;28.19,-20.32,;29.52,-19.55,;30.85,-20.33,;32.19,-19.56,;32.19,-18.02,;30.85,-17.25,;29.52,-18.02,;24.19,-18.01,;22.86,-17.23,;16.2,-18.02,;14.79,-17.4,;13.76,-18.55,;14.53,-19.88,;16.04,-19.55,)|
Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(-7.33,-40.77,;-7.32,-42.31,;-8.64,-43.08,;-8.65,-44.63,;-9.97,-45.4,;-7.3,-45.4,;-5.97,-44.62,;-5.99,-43.08,;-4.65,-42.31,;-4.65,-40.77,;-3.32,-39.98,;-1.98,-40.77,;-1.98,-42.31,;-3.32,-43.08,;-.65,-40,;.69,-40.77,;.69,-42.32,;2.03,-40.01,;3.35,-40.79,;4.69,-40.03,;6.01,-40.81,;7.36,-40.05,;7.36,-38.51,;6.04,-37.73,;4.71,-38.49,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccn1 |wU:7.7,wD:10.14,(30.49,-.92,;31.82,-.15,;31.82,1.4,;33.14,2.17,;34.48,1.4,;34.49,-.14,;33.17,-.92,;35.82,2.17,;35.82,3.71,;37.14,4.5,;38.48,3.71,;38.48,2.17,;37.14,1.4,;39.82,4.48,;41.15,3.71,;41.15,2.16,;42.5,4.47,;43.82,3.69,;45.16,4.45,;45.17,5.99,;46.5,6.75,;47.83,5.97,;47.82,4.43,;46.48,3.67,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cccnc1 |wU:7.7,wD:10.14,(10.18,-1.13,;11.51,-.36,;11.51,1.19,;12.83,1.96,;14.17,1.19,;14.18,-.34,;12.86,-1.12,;15.51,1.97,;15.51,3.51,;16.83,4.29,;18.17,3.51,;18.17,1.97,;16.83,1.2,;19.51,4.27,;20.84,3.51,;20.84,1.96,;22.18,4.27,;23.51,3.49,;24.85,4.25,;24.85,5.79,;26.18,6.55,;27.52,5.77,;27.51,4.23,;26.17,3.47,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)C1Cc2ccccc2CN1 |w:16.17,wU:7.7,wD:10.14,(35.06,-11.3,;36.39,-10.54,;36.39,-8.98,;37.71,-8.22,;39.05,-8.99,;39.06,-10.52,;37.74,-11.3,;40.39,-8.21,;40.39,-6.67,;41.71,-5.88,;43.05,-6.67,;43.05,-8.21,;41.71,-8.98,;44.39,-5.9,;45.72,-6.67,;45.72,-8.22,;47.07,-5.91,;48.39,-6.69,;49.73,-5.93,;51.05,-6.71,;52.39,-5.96,;52.4,-4.41,;51.08,-3.64,;49.74,-4.39,;48.41,-3.61,;47.07,-4.37,)|
Cc1cnc(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)s1 |wU:13.16,wD:10.9,(9.08,-7.45,;7.55,-7.45,;6.65,-6.21,;5.19,-6.67,;5.18,-8.21,;3.84,-8.97,;2.51,-8.19,;1.18,-8.95,;1.18,-10.5,;-.16,-8.18,;-1.49,-8.96,;-2.83,-8.17,;-4.16,-8.96,;-4.16,-10.5,;-2.83,-11.27,;-1.49,-10.5,;-5.49,-11.27,;-6.83,-10.5,;-8.15,-11.26,;-8.16,-12.82,;-9.48,-13.59,;-6.81,-13.58,;-5.48,-12.81,;6.64,-8.7,)|
Oc1ccc(cc1F)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:8.9,12.16,(12.39,-46.09,;13.72,-45.33,;15.07,-46.09,;16.39,-45.31,;16.38,-43.78,;15.04,-43.01,;13.72,-43.77,;12.38,-43,;17.72,-43,;17.71,-44.53,;17.72,-41.46,;19.04,-40.67,;20.38,-41.46,;20.38,-43,;19.04,-43.77,;21.72,-40.69,;23.05,-41.46,;23.05,-43.01,;24.4,-40.7,;25.72,-41.49,;27.06,-40.72,;28.37,-41.5,;29.72,-40.75,;29.73,-39.2,;28.41,-38.43,;27.07,-39.19,)|
O[C@@H](CN1CCC(O)(CC1)c1cccc(F)c1)c1ccc2NC(=O)CCc2c1
OC(CN1CCC(Cc2ccccc2)CC1=O)c1ccc(O)cc1 |w:6.6,1.0|
Oc1ccc(nc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(-10.78,-55,;-9.45,-54.23,;-9.45,-52.68,;-8.13,-51.91,;-6.79,-52.68,;-6.78,-54.21,;-8.1,-54.99,;-5.45,-51.91,;-5.46,-53.44,;-5.45,-50.37,;-4.13,-49.58,;-2.79,-50.37,;-2.79,-51.91,;-4.13,-52.68,;-1.45,-49.6,;-.12,-50.37,;-.12,-51.91,;1.23,-49.61,;2.55,-50.39,;3.89,-49.63,;5.21,-50.4,;6.55,-49.65,;6.56,-48.11,;5.24,-47.33,;3.9,-48.09,)|
Oc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wD:7.8,11.15,(10.84,-24.52,;12.17,-23.76,;12.17,-22.2,;13.49,-21.43,;14.83,-22.2,;14.84,-23.74,;13.52,-24.52,;16.17,-21.43,;16.15,-22.96,;16.17,-19.89,;17.49,-19.1,;18.83,-19.89,;18.83,-21.43,;17.49,-22.2,;20.17,-19.12,;21.5,-19.89,;21.5,-21.44,;22.85,-19.13,;24.17,-19.91,;25.51,-19.15,;26.82,-19.93,;28.17,-19.18,;28.17,-17.63,;26.86,-16.86,;25.52,-17.61,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:7.7,wD:10.14,(-10.14,-2.71,;-8.81,-1.94,;-8.81,-.39,;-7.49,.38,;-6.15,-.39,;-6.14,-1.92,;-7.46,-2.7,;-4.81,.38,;-4.81,1.92,;-3.49,2.71,;-2.14,1.92,;-2.14,.38,;-3.49,-.39,;-.81,2.69,;.52,1.92,;.52,.38,;1.87,2.68,;3.19,1.9,;4.54,2.66,;5.86,1.89,;7.19,2.65,;7.21,4.19,;5.87,4.97,;4.54,4.2,)|
Cc1[nH]nc2c1c(=O)n(C[C@H](F)CN)c1cc(C3CCCCC3)c(cc21)C1CCCCC1
Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(C3CCCCC3)c(cc21)C1CCCCC1
CN(C)CCC[C@]1([C@@H]2COc3ccc(F)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
CC(=O)C1=NN2[C@@H](COc3ccc(Cl)cc23)C1(CCCN1CCOCC1)c1ccccc1 |t:3|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNCC1)c1ccccc1 |t:3|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN)c1ccccc1 |t:3|
CN(C)CCC[C@]1([C@@H]2COc3ccc(C)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
CN1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CCC1=O |c:22|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3|
CN(C)CCC[C@]1([C@@H]2COc3ccc(Cl)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCO)c1ccccc1 |t:3|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNC(=O)CC1)c1ccccc1 |t:3|
CC(=O)C1=NN2[C@@H](COc3ccc(C)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3|
CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(Cl)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |c:24|
c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3Cl)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.79,13.28,;7.36,11.79,;8.2,10.89,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3F)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.79,13.28,;7.36,11.79,;8.2,10.89,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3C)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.8,13.28,;7.36,11.79,;8.2,10.89,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3cc(C)c4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;4.42,14.95,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3C)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.8,13.28,;9,13.57,;7.36,11.79,;8.2,10.89,;,.77,;-1.33,1.54,)|
CCc1c(C)c2OCC(=O)Nc2nc1CNC12CCC(CCc3c(F)cnc4ccc(OC)nc34)(CC1)OC2 |(8.05,9.48,;8.41,10.66,;7.36,11.79,;7.8,13.28,;9,13.57,;6.74,14.4,;7.18,15.88,;6.13,17,;4.63,16.64,;3.78,17.54,;4.19,15.17,;5.24,14.05,;4.8,12.57,;5.86,11.44,;5.41,9.96,;3.9,9.61,;3.46,8.16,;4.56,7.06,;4.17,5.57,;2.68,5.4,;2.67,3.85,;1.34,3.08,;1.33,1.54,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.54,;-4.02,2.78,;-1.33,1.54,;,.77,;2.27,6.67,;3.81,6.67,;1.58,6.27,;1.98,7.74,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3C(C)C)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.8,13.28,;9,13.57,;7.36,11.79,;8.41,10.66,;8.05,9.48,;9.61,10.94,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3C=C)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.8,13.28,;9,13.57,;7.36,11.79,;8.41,10.66,;8.05,9.48,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3F)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.8,13.28,;9,13.57,;7.36,11.79,;8.2,10.89,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OC(C)C(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.07,17.4,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
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COC(=O)N(Cc1ccc2OCC(=O)Nc2n1)C12CCC(CCc3c(F)cnc4ccc(OC)nc34)(CC1)OC2 |(2.46,13.12,;3.3,12.21,;2.85,10.74,;1.65,10.46,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.04,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;3.46,8.16,;4.56,7.06,;4.17,5.57,;2.68,5.4,;2.67,3.85,;1.34,3.08,;1.33,1.54,;2.67,.77,;3.74,1.39,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.54,;-4.02,2.78,;-1.33,1.54,;,.77,;2.27,6.67,;3.81,6.67,;1.58,6.27,;1.98,7.74,)|
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COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)N(C)C(=O)c3ccc4OCC(=O)Nc4n3)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;3.06,10.51,;5.41,9.96,;6.25,9.06,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;,.77,;-1.33,1.54,)|
COc1ccc2ncc(F)c(C[C@H](O)C3CCC(CO3)NCc3nc4NC(=O)COc4cc3F)c2n1 |r|
CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
CC(C)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Fc1cnc2ccc(OC3CCC3)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1
Fc1cnc2ccc(OCC(F)(F)F)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1
FC(F)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
COCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OCCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
CC(C)(O)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1
OCC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OCC(CO)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
O[C@H]1C[C@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)C[C@H]1O |r|
O[C@H]1C[C@@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)C[C@H]1O |r|
OC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)COC1
OC1CC(O)CC(C1)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
NCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
NCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
NCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
NCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1
NC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1
NC1CC1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
NC1COCC1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
N[C@H]1COC[C@@H]1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
N[C@@H]1COC[C@H]1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
N[C@@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wU:4.5,wD:1.0,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)|
N[C@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wU:1.0,wD:4.5,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)|
N[C@@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wD:4.5,1.0,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)|
N[C@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wU:4.5,1.0,(-4.27,-8.98,;-5.23,-8.2,;-6.76,-8.33,;-6.9,-6.8,;-5.39,-6.7,;-4.4,-5.52,;-4.93,-4.07,;-3.94,-2.88,;-4.47,-1.44,;-3.46,-.25,;-1.95,-.52,;-.96,.66,;.56,.39,;1.08,-1.05,;2.3,-1.27,;.1,-2.23,;.63,-3.68,;2.15,-3.95,;2.68,-5.4,;3.98,-5.04,;3.16,-3.74,;4.6,-3.24,;3.08,-2.9,;2.03,-4.03,;5.04,-4.7,;4.01,-5.84,;5.58,-2.08,;5.07,-.63,;6.07,.54,;5.56,2,;6.57,3.17,;8.08,2.88,;9.08,4.05,;10.61,3.77,;11.12,2.32,;12.34,2.08,;10.1,1.14,;8.59,1.43,;7.59,.26,;-1.42,-1.96,;-2.41,-3.14,)|
NCC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
N[C@@H]1[C@@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)NC1=O |r|
N[C@H]1[C@@H](CNC1=O)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
Fc1cnc2ccc(OCCCC#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1
Fc1cnc2ccc(OCC3(CC3)C#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1
CCOC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
CCOC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
COC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
CCOC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
OC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
COC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
OC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
COC(=O)[C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
OC(=O)[C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
COC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1
OC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1
NC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Oc1c[nH]c(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1=O
Oc1c[nH]c(CCOc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1=O
OCCOc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)|
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O |wU:2.2,12.18,wD:1.0,15.19,9.9,(23.46,-31.67,;23.47,-33.21,;24.8,-33.97,;24.81,-35.51,;26.14,-33.2,;26.13,-31.66,;27.47,-33.96,;28.88,-33.33,;29.92,-34.47,;29.15,-35.81,;29.78,-37.21,;27.64,-35.49,;22.14,-33.98,;22.15,-35.52,;20.81,-36.29,;19.47,-35.52,;19.48,-33.98,;20.8,-33.21,;18.14,-34.75,;16.81,-35.52,;15.47,-34.74,;16.8,-37.06,)|
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|
CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
Cc1cn(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r|
Cc1cn(cn1)-c1ccc(cc1OCC(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
Cc1cn(cn1)-c1ccc(-c2cn(nn2)[C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)c(F)c1 |r|
COc1c(F)c(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r|
COc1cc(ccc1-n1cnc(C)n1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r|
[H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
CCCN1CCO[C@@H](C1)c1cccc(O)c1
Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)ccc1C#N |w:13.13|
Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
CC(N1C[C@H](N)[C@@H](C1)C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)C#N |w:1.0|
N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@H]1C(=O)N1CCCC1
N[C@H]1CN(Cc2ccc(cc2)-n2cncn2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(C)c1C#N |w:13.13|
COc1cc(ncc1C#N)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(cn2)C#N)CC1 |r|
COc1cc(ncc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
COc1cc(ccc1C#N)C(C)(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
COc1cc(ccc1C#N)C(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
COc1cc(CC(C)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
CCOC(CN1CCN(CCc2ccc(C#N)c(OC)c2)CC1)c1ccc2C(=O)OCc2c1C
COC(CN1CCN(CCc2ccc(C#N)c(OC)c2)CC1)c1ccc2C(=O)OCc2c1C
COc1cc(CCN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
COc1cc(CCN2CCN(CC(F)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
COc1cc(CCN2CCN(CC(C)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)cc1
COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
COc1cc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2ncc(cc2Cl)C#N)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(C3CC3)c(cn2)C#N)CC1 |r|
COc1cc(nc(C)c1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
CCOc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(c(cn2)C#N)C(F)(F)F)CC1 |r|
[2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)ccc1OC
CCOc1cc(CN2CCC(CC2)NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1Cl
Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1
Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1
CC(C)[C@@H](CN1CCC(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1ccccc1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CCC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CCC(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CC(C)[C@@H](CN1CCC(CC1)c1ccccc1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:5.4|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)C1CC1 |w:3.2|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1 |w:3.2|
Fc1ccc(cc1)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:10.10|
O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2|
Clc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:1.0|
O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:11.11|
CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:4.3|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccccc1 |w:3.2|
Cc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
FC(F)(F)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:7.6|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1 |w:3.2|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1 |w:3.2|
O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:4.3|
CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4|
CC(C)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:7.6|
O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)c1cccnc1 |w:3.2|
Fc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccc(c1)C(O)=O)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccc(O)c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cccc(c1)C1CCN(CC1)[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cc(Cl)ncn1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccc(F)c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cccc(c1)C(O)=O)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1ccncn1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
OC1CN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
O[C@@H]1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1 |r|
OC1CN(C1)C1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1
Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1c(Cl)cccc1NS(C)(=O)=O
Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1C
Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1Cl
Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ccccc1
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
CNc1nc(NCCN2CCNCC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
CNc1nc(NCC(F)(F)F)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
Nc1nc(NC2CCNCC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
Nc1nc(NC2CCNC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
Nc1nc(NC2CCOCC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
NC1CCN(CC1)c1nc(N)nc2cc(sc12)-c1ccc(cc1)C(F)(F)F
Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 |r|
O[C@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO |r|
C[C@@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@H]1c1ccccc1C |r|
CC1(CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1)c1ccccc1 |r|
O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2)CCc2cccnc12 |r|
Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2Cl)CCc2cccnc12 |r|
O[C@H]1C[C@H](CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2cccnc12 |r|
O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Cc1ccccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
Cc1ccccc1C1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)CC1 |r|
Cn1c(nc2cc(ccc12)C(F)(F)F)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:30.33,wD:33.40,(-5.67,-48.6,;-4.89,-47.26,;-3.47,-46.67,;-3.59,-45.14,;-5.09,-44.78,;-5.82,-43.43,;-7.36,-43.39,;-8.16,-44.71,;-7.42,-46.06,;-5.89,-46.09,;-8.1,-42.04,;-8.88,-40.7,;-6.76,-41.28,;-9.43,-42.81,;-2.14,-47.45,;-2.14,-48.99,;-.81,-49.77,;.52,-49,;1.84,-49.78,;1.84,-51.32,;.49,-52.08,;-.83,-51.3,;3.17,-52.1,;3.16,-53.64,;4.5,-51.33,;5.83,-52.11,;6.35,-53.56,;7.89,-53.52,;8.33,-52.05,;7.06,-51.17,;-.81,-46.69,;-.8,-45.15,;.54,-44.39,;1.87,-45.17,;1.85,-46.71,;.52,-47.47,;3.21,-44.41,;4.53,-43.63,;3.98,-45.75,;2.45,-43.08,)|
CC(C)(C)CCN1CCC(CNC(=O)Nc2cccc(Cl)c2)(CC1)c1ccccc1
CC1(C[C@H](CCO1)CN2CCC(CC2)(CNC(=O)c3cc(cc(c3)Cl)Cl)F)C
CC1(C)C[C@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1 |r|
CC1(C[C@H](CCO1)CN2CCC(CC2)(CNC(=O)c3cc(cc(c3)Cl)Cl)F)C
CC(C)(C)CCN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@@](C)(O)C(F)(F)F |r|
c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
O=C1NCCc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1
CN1CCN(CC1)c1ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(nc2n1)-c1ccccc1
Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ccc3nc2-c2ccccc2)N2CCN(CCO)CC2)CC1
CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1
CN(C)CCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1
OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1
CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1
CN(C)CCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1
OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1
CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1
CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1
OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1
CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1
Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ncc3cc2-c2ccccc2)N2CCN(CCO)CC2)CC1
CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1
CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1
OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1
CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1
COc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4cnccn4)cc3)c(cc12)-c1ccccc1
Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
O=c1ccc(c[nH]1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nc(n[nH]4)-c4ncccn4)cc3)c(cc12)-c1ccccc1
CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
CN(C1CCNCC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:13|
CN([C@H]1CCN(C)C[C@@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15|
CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15|
CN(C1CCN(CC1)C1CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:17|
CN(C1CCN(CCF)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:16|
CN(C1CCN(C)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:14|
CN(C1CCN(C)CC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F |r,c:14|
CN(C)C(=O)N1CC(=C[C@@]1(CC[C@@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |r,c:7|
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1
[H][C@@]1(CNC(=O)O1)[C@@H](C)Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F |r|
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
C[C@H]1CCCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1 |r|
CC1CCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1
C[C@@H]1CCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O |r|
C[C@H]1CCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O |r|
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCC2)cc1
O=c1n(cnc2ccccc12)-c1ccc(OCCCN2CCCC2)cc1
Cc1nc2c(cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Cc1nc2cc(ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
COc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
COc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
COc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
Cc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Cc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Cc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
Cc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1
CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
CCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CN(C)C)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)[C@H](C)O)n1 |r|
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1
COCCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CCN(C)C)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
COC(=O)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccc(Br)cc1
CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1
Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1
Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1
Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(C)c3c2)n1
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r|
COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r|
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)COc2cccc(Cl)c2)c1
FC(F)(F)Oc1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)COc2cccc(Cl)c2)c1
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCOCC2)cc1
CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r|
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCSC2)cc1
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCc3ccccc3C2)cc1
OC1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
COC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N
CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N
CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N
[H][C@@]12CCCN1c1ccc(OCCCCCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:31|
[H][C@@]12CCCN1c1ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,31|
[H][C@@]12CCCN1c1ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:30|
[H][C@@]12CCCN1c1ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,30|
[H][C@@]12CCCN1c1ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,29|
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(cn12)-c1cccc(c1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(cc12)-c1cccc(c1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(cc12)-c1cccc(c1)S(=O)(=O)C1CC1
CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(nc12)-c1cccc(c1)S(=O)(=O)C1CC1
Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1
CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
CC(C)(C)CCN1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r|
CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r|
CC(C)(C)OCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)C(F)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)C(O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(cc2)C(C)(C)C)CC1
CC(C)(C)CCN1CCC(CNC(=O)C2(CCCCC2)c2ccc(F)cc2)CC1
CC(C)(C)CCN1CCC(CNC(=O)c2cccc(Cl)c2)CC1
CC(C)(C)CCN1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
CC(C)(C)CCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
CCC(C)C(C)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(CC(C)(C)C)N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Clc1cc(Cl)cc(c1)C(=O)NCC1CCN(Cc2ccc(Br)nc2)CC1
FC(F)(F)c1cccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)c1
O=C(NC1CC1)c1cn(-c2cccc(c2)-c2cccnc2)c2ncccc2c1=O
Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Clc1ccc(cc1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12
Cc1noc(n1)C(=C\c1cccc(c1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12)\c1ccc(cc1)S(C)(=O)=O
NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
CC(C)NC(=O)c1cn(-c2ccccc2)c2ncccc2c1=O
CC(C)NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
CC(C)CNC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
CC(C)NC(=O)c1cn(-c2cccc(c2)-c2cccc(c2)C(C)=O)c2ncccc2c1=O
CC(=O)c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)Nc2nccc(Cl)c2Cl)c(=O)c2cccnc12
CCOc1cccc(c1)-c1cccc(c1)-n1cc(C(=O)NC(C)C)c(=O)c2cccnc12
CSc1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC(C)C)c(=O)c2cccnc12
CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C(C)=O)c2ncccc2c1=O
CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)S(C)(=O)=O)c2ncccc2c1=O
O=C(NC1CC1)c1cn(-c2cccc(c2)-c2ccncc2)c2ncccc2c1=O
CS(=O)(=O)c1ccc(cn1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
CC(C)(O)c1ccc(cn1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
CC(C)(O)c1ccc(c[n+]1[O-])-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
O=C(NC1CC1)c1cn(-c2cccc(c2)C#Cc2cccnc2)c2ncccc2c1=O
[O-][n+]1cccc(c1)C#Cc1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
CC(C)(O)c1ccc(c[n+]1[O-])C#Cc1cccc(c1)-[n+]1cc(C(=O)NC2CC2)c([O-])c2cccnc12
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCCN(CC2)C2CCC2)cc1
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCCN(CC2)C2CCCC2)cc1
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCC(C2)N2CCCC2)cc1
Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@H](CC2)N2CCCC2)cc1 |r,wU:17.18,20.25,(13.81,-35.86,;12.48,-36.64,;11.14,-35.87,;9.81,-36.65,;8.47,-35.89,;7.15,-36.66,;7.14,-38.2,;8.48,-38.97,;9.82,-38.2,;11.15,-38.96,;11.15,-40.5,;12.49,-38.19,;13.82,-38.95,;13.82,-40.49,;15.15,-41.26,;16.49,-40.49,;17.82,-41.25,;19.15,-40.47,;19.14,-38.94,;20.47,-38.17,;21.81,-38.94,;21.81,-40.48,;20.48,-41.25,;23.14,-38.16,;24.55,-38.79,;25.58,-37.64,;24.81,-36.31,;23.3,-36.63,;16.48,-38.94,;15.14,-38.18,)|
Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2c(Cl)cccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
COc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
COc1ccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c2c1
COc1ccc2c(c1)nc(C)n(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)c2=O
COc1cccc2c1nc(C)n(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)c2=O
Cc1nc2cccnc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2ccncc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2cnccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nc2ncccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
CNCc1cc(C)c(C)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C#N
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CNCc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1
CNCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1
CNC(C)c1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CNC(C)c1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1
CNC(C)c1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(cc1Oc1ccc(Cl)cc1)C(F)(F)F
CNCc1cc(ccc1Oc1ccc(C)cc1)C(F)(F)F
CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
CNCc1ccc(Cl)cc1Oc1ccc(C)cc1
CCc1cc(Oc2ccc(F)cc2CNC)ccc1Cl
CCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl
CNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1
CNC(C)c1ccc(Cl)cc1Oc1ccc(C)cc1
CNC(C)c1ccc(Cl)cc1Oc1ccc(C)c(C)c1
CNCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1
CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1
CNCc1ccc(Cl)cc1Oc1ccc(C)c(Cl)c1
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(C)c1
CNCc1ccc(Cl)cc1Oc1cccc(Cl)c1
CNCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1
CNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1
CNCc1ccc(Cl)cc1Oc1ccc(F)c(c1)C(F)(F)F
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1
CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccccc1Oc1ccc(Cl)c(Cl)c1
CSc1ccc(Oc2ccccc2CN(C)C)cc1
CC(N(C)C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
CN(C)Cc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CNCc1cc(F)ccc1Oc1ccc(C)c(C)c1
CNCc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1
CNC(C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(F)cc1Oc1ccc(Cl)c(Cl)c1
CNC(C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(F)ccc1Oc1ccc(Cl)cc1
CNC(C)c1cc(F)ccc1Oc1ccc(Cl)cc1
CN(C)Cc1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1
CNCc1cc(OC)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
COc1ccc(CN(C)C)c(Oc2ccc(Cl)c(Cl)c2)c1
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#N
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)NC
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1ccsc1
Cn1cc(cn1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CCNC3)CC2)c1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cc[nH]n1
Cn1cnc(c1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CCNC3)CC2)c1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(F)(F)F)C2)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(O)=O)C2)CC1)-c1cccs1
NC(=O)CN1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
CC(=O)N1CCCC11CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNc3ccccc23)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCCC2=O)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCCC2O)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC2=O)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)C2)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CC1)NC(=O)NC2=O)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CC1)NCNC2=O)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CC1)N(CNC2=O)c1ccccc1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)N2)CC1)-c1cccs1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1ccccc1
Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)S(=O)(=O)c2ccccc2)C1
Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNc3ccccc23)CC1
Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CC1)CNCc1ccccc21
Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1
COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
COc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
COc1cccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c12
Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
O=c1n(-c2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1
CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O
CNCCC(c1c[nH]c2ccccc12)c1ccccc1
CCCCC1(CCNC1)c1ccc2[nH]ccc2c1
CNC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
NC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
N#Cc1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
Cn1ccc2cc(ccc12)C1(Cc2ccccc2)CCNC1
Fc1ccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)cc1
C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2sccc2c1
C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ccc2c1
Clc1ccc(cc1Cl)C12CC1CNC2
Fc1ccc(C(=O)C2CCN(CCCOc3ccc(cc3)-c3nc4ccccc4o3)CC2)c(F)c1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCc3nc4ccccc4o3)cc2)CC1
CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N(C)C)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CC2)n1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(N)=O)ncc1F
CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(N)=O)c(F)c2)n1
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(N)=O)c(F)c2)ncc1F
CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1F
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(C)c2)ncc1F
COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r|
CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O |r|
C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29|
CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C
C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22|
Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1
O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1
Cc1cc(ccc1OCc1cccc(Cl)c1)C(=O)N1CCN(CC1)C(=O)C1CCCO1
CN1CCN(CC1=O)C(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
OCCCCNC(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
Clc1cccc(COc2cnc(cc2Cl)-c2nnco2)c1
C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r|
Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CCC1
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CCC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CC2)c2ccc(cc2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
CCCOc1ccc2OCCC(=Nn3cc(O)n(CCCN4CCN(C)CC4)c3=O)c2c1 |w:12.12|
CCCCOc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCN(C)CC4)c3=O)c2c1 |w:13.13|
CN1CCN(CCCCn2c(O)cn(N=Cc3ccc(o3)-c3ccc(Cl)cc3)c2=O)CC1 |w:14.13|
CCCOc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCCCC4)c3=O)c2c1 |w:12.12|
CN1CCN(CCCCn2c(O)cn(N=C3CCOc4ccc(cc34)C(N)=O)c2=O)CC1 |w:14.13|
CCOc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCCCC4)c3=O)c2c1 |w:11.11|
COc1ccc2OCCC(=Nn3cc(O)n(CCCN4CCN(C)CC4)c3=O)c2c1 |w:10.10|
CN1CCN(CCCn2c(O)cn(N=C3CCOc4ccc(C)cc34)c2=O)CC1 |w:13.12|
COc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCN(C)CC4)c3=O)c2c1 |w:10.10|
CN1CCN(CCCn2c(O)cn(N=C3CCOc4ccc(Cl)cc34)c2=O)CC1 |w:13.12|
CCOc1ccc2OCCC(=Nn3cc(O)n(CCCN4CCN(C)CC4)c3=O)c2c1 |w:11.11|
CN1CCN(CCCCn2c(O)cn(N=C3CCOc4ccc(Cl)cc34)c2=O)CC1 |w:14.13|
CCOc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCN(C)CC4)c3=O)c2c1 |w:11.11|
COc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCCCC4)c3=O)c2c1 |w:10.10|
CCCOc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCN(C)CC4)c3=O)c2c1 |w:12.12|
Cc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCCCC4)c3=O)c2c1 |w:9.9|
CCCCOc1ccc2OCCC(=Nn3cc(O)n(CCCN4CCN(C)CC4)c3=O)c2c1 |w:13.13|
CN1CCN(CCCCn2c(O)cn(N=C3CCOc4ccc(C)cc34)c2=O)CC1 |w:14.13|
Oc1cn(N=C2CCOc3ccc(O)cc23)c(=O)n1CCCCN1CCCCC1 |w:4.3|
CN1CCN(CCCCn2c(O)cn(N=C3CCOc4ccc(O)cc34)c2=O)CC1 |w:14.13|
Oc1cn(N=C2CCOc3ccc(Cl)cc23)c(=O)n1CCCCN1CCCCC1 |w:4.3|
CCCCOc1ccc2OCCC(=Nn3cc(O)n(CCCCN4CCCCC4)c3=O)c2c1 |w:13.13|
CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r|
CC(C)CNc1nc(nc(N2CCNCC2)c1N)C#N
CC(C)(C)CNc1nc(nc(N2CCOCC2)c1N)C#N
CC(C)CNc1nc(nc(N2CCOCC2)c1N)C#N
COc1ccc(CNC(=O)C2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)cc1
COc1ccc(cc1Cl)C(=O)NC1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(Cc2ccccc2)c1=O
Nc1ccnc(c1)N1CCC(CC1)(NC(=O)c1ccccn1)c1ccccc1
Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(CC2CC2)c1=O
COc1ccc(cc1)-n1c2cccnc2n(C2CCN(CC2)c2cc(N)ccn2)c1=O
Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(-c2ccccc2)c1=O
COc1cccc(c1)C1(C)CN(C1)c1cc(N)ccn1
CN(C)C(=O)[C@H]1CC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
COc1ccc(cc1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1cc(C)ccn1
COc1cccc(c1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1ccccn1
Nc1ccnc(c1)N1CCC(CC1)(NC(=O)[C@@H]1CCCO1)c1ccccc1 |r|
CCN(CC)C(=O)[C@H]1OC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CCCCC1)c1ccccn1
Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CC1)c1ccccn1
Nc1ccnc(c1)N1CCC(CC1)(C(=O)Nc1ccc2ccccc2n1)c1ccccc1
Nc1ccnc(c1)N1CCC2(CC1)OC(c1ccccc21)c1ccccc1
Nc1ccnc(c1)N1CCC(CC1)(C(=O)N1CCc2ccccc2C1)c1ccccc1
COc1ccc(C(=O)NC2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)c(OC)c1
CCOC(=O)N1CCN(CC1)C(=O)C1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Clc1ccc(OC2CN(C2)S(=O)(=O)c2ccc3CCNCCc3c2)cc1
Clc1ccccc1OC1CCN(CC1)S(=O)(=O)c1ccc2CCNCCc2c1
CN(CC1COc2ccccc12)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
Clc1ccccc1O[C@@H]1CCN(C1)S(=O)(=O)c1ccc2CCNCCc2c1 |r|
Clc1cccc(OC2CN(C2)S(=O)(=O)c2ccc3CCNCCc3c2)c1
Clc1ccccc1O[C@H]1CCN(C1)S(=O)(=O)c1ccc2CCNCCc2c1 |r|
O=S(=O)(c1ccccc1)c1ccc2CCNCCc2c1
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccc1C#N |r|
F[C@H]1CN(C[C@H]1F)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
C(O[C@H]1CCNC1)c1ccc2ccccc2c1 |r|
C(O[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1 |r|
Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1 |r|
CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
C(Oc1ccc2ccccc2c1)C1CCNC1
C(Oc1ccc2ccccc2c1)C1CCNCC1
N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
Fc1ccc2cc(CCN3CCNCC3)ccc2c1
Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12
CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
CNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
CCNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
NCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
NC1(CCC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
N[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
OC1(CNC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
OCC1COCCN1Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
FC(F)(F)c1cc(cc(c1)-c1cnc[nH]1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
FC(F)(F)c1cc(cc(c1)-c1cn[nH]c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Cn1cnc(c1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Cn1nccc1-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Cc1ncc(C)c(n1)C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Cc1nccnc1C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cnc2ncccn12 |r|
Cc1cc2ncc(C(=O)N3CCC(CC3)[C@H](N)Cc3cc(F)c(F)cc3F)c(C)n2n1 |r|
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
COc1cc(ccc1OCCN1CCCC1)-n1ccnc(NCCc2ccccc2)c1=O
COc1cc(ccc1OCCN1CCCC1)-n1ccnc(CCCc2ccccc2)c1=O
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
COc1ccc(NC(=O)c2ccc(cc2N2CCCCC2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
COc1ccc(NC(=O)c2ccc(cc2N2CCC(CC2)C(O)=O)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1cn[nH]c1 |r|
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1cc[nH]n1 |r|
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1ncon1 |r|
OC(c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
OCC(F)(F)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F |r|
CC(C)(O)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F |r|
OCCc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F |r|
Cc1[nH]ncc1-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F |r|
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnc[nH]1 |r|
Cc1nnc([nH]1)-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F |r|
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1c[nH]nn1 |r|
Oc1csc(n1)-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F |r|
O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(-5.17,2.38,;-5.16,.84,;-3.83,.08,;-2.49,.85,;-2.5,2.39,;-1.16,3.16,;.18,2.39,;1.51,3.16,;2.84,2.39,;4.18,3.16,;4.17,4.69,;5.51,5.46,;6.84,4.68,;8.18,5.44,;9.51,4.67,;9.5,3.12,;8.16,2.36,;6.83,3.14,;5.51,2.38,;10.85,5.43,;12.18,6.19,;.17,.85,;-1.15,.08,;-6.49,.07,;-7.83,.83,;-9.16,.06,;-9.16,-1.48,;-7.83,-2.25,;-7.83,-3.79,;-6.49,-4.56,;-5.15,-3.79,;-5.16,-2.25,;-6.49,-1.48,)|
Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(F)cc2)n1C
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O
Cc1ncoc1-c1nnc(SCCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O
Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)-c1ncco1
CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
CC(CCNCC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 |TLB:13:8:15:12.14.11,13:12:15:7.8.9,THB:11:10:7:13.12.14,11:12:7:15.9.10|
CC(CCNCC12CC3CC(CC(C3)C1)C2)Nc1c(F)cnc2cc(Cl)ccc12 |TLB:13:8:15:12.14.11,13:12:15:7.8.9,THB:11:10:7:13.12.14,11:12:7:15.9.10|
CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)C#N |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)S(C)(=O)=O |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cncc(c1)C#N |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(n1)C#N |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccnc(c1)C#N |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccc(n1)C#N |r,c:3|
COc1ccnc(c1)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:9|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(Cl)ccn1 |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C(N)=O |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnccn1 |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1 |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnsn1 |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccs1 |r,c:3|
Fc1ccc(cc1)C1(CNC(=N1)c1cc(ccn1)C#N)c1ccc(F)cc1 |c:11|
Fc1ccc(cc1)C1(CNC(=N1)c1cnccn1)c1ccc(F)cc1 |c:11|
C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:3|
CC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
CCC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:5|
OC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cnccn1 |r,c:3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
C[C@@H]1NC(=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
C[C@@H]1NC(=NC1(c1ccc(F)nc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
COc1ccc(cn1)[C@@]1(N=C(N[C@H]1C)c1cc(ccn1)C#N)c1ccc(F)cc1 |r,c:10|
[H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C1CCC1)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r|
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C |r,THB:36:35:29:31.32|
[H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C(C)C)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r|
[H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)CC(C)C)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r|
CO[C@@H]1CN(CCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2ccnc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2ncnn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCC(=O)N2CCCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCC(=O)N2CCOCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CCC(=O)N1CCCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)C1 |r|
CCC(=O)N1CCC(CCN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)OC)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CCCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)CC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CCCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CCC(=S)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=S)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)N(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)NC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1
COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1
COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 |r|
Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r|
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r|
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cccnc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ccccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1cccnc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4cccc(=O)n34)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|
COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
OC(=O)CN(Cc1cccc(c1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc(c1)-c1ccccc1
OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|
NCC1CC1c1cc(F)c(F)cc1OCC=C
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C
Cc1cc(C)n(Cc2ccc(cc2)C(=O)NCC2(CCOCC2)c2nc(cs2)-c2ccccc2)n1
C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O
COc1cccc(n1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@](N1)(c1cnn(C)c1)c1noc(C)n1 |r|
Cc1nc(no1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1)c1cnn(C)c1 |r|
COc1cccc(n1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Clc1ccc(nc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Fc1ccc(nc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cscn1 |r|
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cccnc1 |r|
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccncc1 |r|
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1 |r|
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1csc2ccccc12 |r|
Clc1ccc(s1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccsc1 |r|
Fc1ccc(-c2c[nH]c(n2)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2)C2CCOCC2)c(F)c1 |r|
Fc1ccc(cc1F)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
OC(=O)c1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1 |r|
FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
FC(F)(F)Oc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
COc1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
COc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Oc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
FC(F)(F)c1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Cc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Clc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Fc1ccccc1-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Fc1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
C1CC(CCO1)C1NC(Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)C12CC3CC(CC(C3)C1)C2 |TLB:31:26:33:30.32.29,31:30:33:25.26.27,THB:29:28:25:31.30.32,29:30:25:33.27.28|
CC(C)(C)c1c[nH]c(n1)C1Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1
C1CCC(CC1)c1c[nH]c(n1)C1Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1
CC1(Cc2c([nH]c3ccccc23)C(N1)C1CCOCC1)c1nc(c[nH]1)-c1ccccc1
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cccnc1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cccnc1
Cc1cc(on1)-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
Cn1cc(cn1)-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cccnn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cncnc1
Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2C(F)(F)F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2C(F)(F)F)nnc1-c1cnccn1
COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2F)nnc1-c1cnccn1
CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C#N)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1C1CCOCC1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCC1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1C1CCCCC1
Cc1ncoc1-c1nnc(SCCCN2CC3CN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
Cn1c(SCCCN2CC3CCN(C3C2)c2cccc(c2)C#N)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C#N)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2OC(F)(F)F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2cccc(OC(F)(F)F)c2)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(OC(F)(F)F)cc2)nnc1-c1cnccn1
COc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
COc1cccc(c1)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
COc1ccc(cc1)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Cc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Cc1cccc(c1)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Cc1ccc(cc1)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2cccc(F)c2)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2cccc(c2)C(F)(F)F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2OC(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(Cl)cc2Cl)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cc(Cl)cc(Cl)c2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cccc(c2)C#N)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cccc(F)c2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(OC(F)(F)F)cc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2F)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cc[nH]c(=O)c1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1ccccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1ccncc1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(=O)[nH]c1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(=O)n(C)c1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1-c1cc[nH]c(=O)c1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1-c1ccn(C)c(=O)c1
CNC(=O)c1ccc2[nH]nc(Cc3ccc4n(C)ncc4c3)c2c1
c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F
Fc1ccc2ncc(=O)n3C[C@@H](CN4CCC(CC4)NCc4cc5OCCOc5nn4)c1c23 |r|
COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.49,;-.08,10.33,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.9,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OCC34CCC(CC3)O4)c2)c2c(N)ncnc12 |r,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.49,;-.08,10.33,;1.29,3.91,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Cn1nc(cc1-c1ccccc1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Cc1oc(nc1C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)-c1ccccc1
Fc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Clc1ccccc1-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1cc(on1)-c1ccccc1
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1noc(n1)-c1ccccc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCC(C)(O)C2)cc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1
COC1CN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccc(OC)cc3)cc2)C1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCOCC2)c(OC)c1
OC1CCN(Cc2ccc(OC3CCN(CC3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCC(O)C2)cc1
CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCN(C)CC2)c(F)c1
CN1CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2F)CC1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1
Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nnc(o1)-c1ccccc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
FC(F)Oc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1)c1nnc(o1)-c1ccccc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1
O=C(N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1)c1nnc(o1)-c1ccccc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)CC2(C)COC2)cc1
CN(Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)cc1)CC1(C)COC1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(F)c1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(C)c1
CN(C)Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)c(C)c1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCN(C)CC2)cc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cn1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cn1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)nc1
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nc(no1)-c1ccccc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC22COC2)cc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC2)cc1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1
O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1)c1nnc(o1)-c1ccccc1
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
CCCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12
O=C(NCc1ccncc1)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc12
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc12
CC(N1C(C(=O)NCc2ccccc2)c2ccccc2C1=O)c1ccccc1
CC(N1C(C(=O)NC(C)(C)CO)c2ccccc2C1=O)c1ccccc1
CC(C)(CN1C(C(=O)NCCCF)c2ccccc2C1=O)c1ccc(Cl)cc1
CCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cc(ccc12)C#N
CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12
COc1ccc2C(N(Cc3ccccc3-c3ccccc3)C(=O)c2c1)C(=O)NC(C)(C)C
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2ccc(cc12)C#N
CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccccc2)C(=O)c2ccccc12
CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccc(F)cc2)C(=O)c2ccccc12
CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccc(F)cc2)C(=O)c2ccccc12
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12
Cc1c2C(=O)N(Cc3ccccc3-c3ccc(F)cc3)C(C(=O)NC(C)(C)C)c2ccc1O
Cc1c2C(=O)N(Cc3ccccc3-c3ccc(F)c(F)c3)C(C(=O)NC(C)(C)C)c2ccc1O
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)cc2)C(=O)c2ccccc12
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OC(F)F
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1O
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cc(O)ccc12
COCCOCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccc(F)cc12
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cccc(O)c12
COc1ccc2C(N(Cc3ccccc3-c3ccccc3)C(=O)c2c1C)C(=O)NC(C)(C)C
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1NS(C)(=O)=O
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cc(NS(C)(=O)=O)ccc12
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OCF
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OS(C)(=O)=O
C(C1COc2ccccc2C1)N1CCC2(CCc3ccccc23)CC1
Oc1cccc2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Oc1ccc2CNC(CN3CCC4(CCc5ccccc45)CC3)Cc2c1
Oc1ccc(Cl)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Oc1ccc(Br)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
C(C1Cc2ccccc2CN1)N1CCC2(CCc3ccccc23)CC1
CN1C(CN2CCC3(CCc4ccccc34)CC2)Cc2ccccc2C1=O
Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1
Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1
CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1cnc(cn1)-n1cnnn1
Cc1cc(cnc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Cc1cc(ncc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Cc1nc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1cnc(cc1C)-n1cnnn1
CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1ccc(nc1C)-n1cnnn1
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1cncc(c1)-n1cnnn1
CC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
COC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
COc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC(CC1)\C=C\c1ccc2C(=O)OCc2c1
O=C(Cc1ccc(cc1)-n1cnnn1)N1CC2C(CCc3ccc4C(=O)OCc4c3)C2C1
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
O=C(Cc1ccc(cn1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
FC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
OC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Cc1c2COC(=O)c2ccc1CCC1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
O=C(Cc1ccc(cn1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3n2)CC1
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cn1)-n1cnnn1
Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)s2)cc1=O)C1CC1
Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
CC(=O)Nc1ccc2C(=O)N(CCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)C(=O)c3cccc1c23
[O-][N+](=O)c1ccc(NCCCCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)c2nonc12
CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)c(=O)oc2c1
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27|
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Clc1ccc(cc1)-n1nc(OCCCN2CCCCC2)ccc1=O
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O
Fc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O
Fc1ccc(cc1F)-n1nc(OCCCN2CCCCC2)ccc1=O
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(Cl)c2)CC1
CC1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(F)c2)CC1
Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc3nnc(C4CC4)n3c2C1 |r|
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3cccnc3c2C1 |r|
Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Cc1ccnc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3nccnc3c2C1 |r|
CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4
CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4
FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
Cc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r|
C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2ccn(C(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c2c1 |r|
CC(C)(C)c1cc(NC(=O)n2ccc3ccc(Oc4ncnc5CNCc45)cc23)no1
CC(C)(C)c1cc(NC(=O)n2ccc3ncc(Oc4ncnc5CNCc45)cc23)no1
CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5CNCc45)ccc23)no1
CC1(CC1)c1cc(NC(=O)c2ccn3cc(Oc4ncnc5CNCc45)ccc23)n[nH]1
CC(C)(C)c1cc(NC(=O)c2cnc3cc(Oc4ncnc5CNCc45)ccn23)no1
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)cnc23)no1
CC(C)(C)c1cc(NC(=O)n2ncc3cc(Oc4ncnc5CNCc45)ccc23)no1
CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1 |r|
CN(CC=Cc1ccc(cc1)C(F)(F)F)Cc1cccc2ccoc12
CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
CCc1c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cnn1C1CCN(CC1)C(C)=O
Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(C)n1
Cc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1
CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1
CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
CCN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r|
CN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CCCC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r|
CN1C[C@H]2[C@H](CN(Cc3ccc(F)c(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1ccc(F)c(Cl)c1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:17.18,20.22,(3.36,-16.16,;4.05,-14.78,;3.34,-13.41,;4.42,-12.32,;5.8,-13.01,;5.57,-14.53,;7.16,-12.3,;7.23,-10.76,;8.46,-13.13,;9.83,-12.42,;11.12,-13.25,;11.05,-14.78,;12.34,-15.61,;13.71,-14.9,;13.78,-13.36,;15.14,-12.64,;12.48,-12.54,;8.39,-14.67,;7.02,-15.37,;6.95,-16.9,;8.24,-17.73,;8.16,-19.27,;9.61,-17.03,;9.69,-15.48,)|
OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
CN1C[C@H]2CCN([C@H]2C1)c1ccc(cc1)-c1ccc(cc1)C#N |r|
Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl |r|
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1Cl
CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31 |r|
C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 |r|
Brc1ccc2[nH]c3C(CCCc3c2c1)Nc1ccccc1
Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 |r|
CCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
CCc1oc(CCc2cc(cc(NC)n2)N2CCOCC2)nc1C
CCCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
CCc1oc(CCc2cc(cc(NC(C)C)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCCOC)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCCC#N)n2)N2CCOCC2)nc1C
CCOC(=O)CNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
CCc1oc(CCc2cc(cc(NC(C)=O)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCC(F)(F)F)n2)N2CCOCC2)nc1C
CCc1oc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)n(C)c1C
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)sc1C
CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
Fc1ccc(cc1)C(NC(=O)CN1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1
FC(F)(F)c1ccc(nc1)-n1ccc(CN2CCC(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1
OCCCN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
COCC(O)CN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1
OC(CNC(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1)C(F)(F)F
OCC1CCCN(C1)C(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1
OC1(CNC(=O)C2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)CCCCC1
Oc1ccc(CNC(=O)C2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c(Cl)c1
Oc1cc(Cl)ccc1CNC(=O)C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
Oc1cc(Cl)cc(Cl)c1CNC(=O)C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)C(=O)NCCc2ccccn2)c1
Cn1cccc1CNC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
CN(CCC(=O)N1CCCC1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
CCN(CC)C(=O)C1CCCN(C1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCCC(C3)C(=O)N3CCCC3)CC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCCCC3C(=O)N3CCCC3)CC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCOC(C3)C(=O)N3CCCC3)CC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCN(CC3)C(=O)N3CCCC3)CC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3cnc[nH]3)c3ccccc3)CC2)c1
Cc1nccn1CC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3ccccc3)c3ccccn3)CC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3ccncc3)c3ccc(Cl)cc3)CC2)c1
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1cccnc1
[O-][n+]1cccc(c1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
COc1ccc(cn1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1
CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(OC)nc1
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1c[nH]c(=O)c(Cl)c1
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
CC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(c2ccccc2)c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1
COc1cccc2OC(C(C)S(=O)(=O)c12)c1ccc(OCCCN2CCCC2)cc1
COc1ccc2OC(C(C)S(=O)(=O)c2c1)c1ccc(OCCCN2CCCC2)cc1
COc1ccc2c(OC(C(C)S2(=O)=O)c2ccc(OCCCN3CCCC3)cc2)c1
COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCCCC2)cc1
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1 |r|
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1 |r|
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
COc1cccc2c1O[C@@H]([C@@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1
C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r|
CC[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r|
C(COc1ccc(cc1)[C@H]1Oc2ccccc2S[C@H]1c1ccccc1)CN1CCCC1 |r|
C[C@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r|
CC1=C(Oc2ccccc2S1)c1ccc(OCCCN2CCCC2)cc1 |t:1|
C[C@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
C[C@@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
CC1=C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |t:1|
Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(F)cc21 |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1ncccc21 |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(F)cc21 |r|
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(ccc21)C(F)(F)F |r|
CS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
CS(=O)(=O)Nc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(cc21)C(F)(F)F |r|
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnccc21 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)(F)F |r|
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r|
COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccccc1 |r|
COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(CC3)(C(=O)N3CCCC3)c3ccccc3)C(C)(C)C2)cc1 |r|
COc1ccc(cc1)[C@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(NC(C)=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(c2nnc(C)s2)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(48.69,-28.06,;47.35,-28.83,;46.02,-28.05,;44.68,-28.82,;43.35,-28.04,;43.37,-26.5,;44.69,-25.74,;46.02,-26.51,;42.04,-25.72,;40.71,-26.49,;42.05,-24.18,;40.72,-23.41,;40.73,-21.86,;39.39,-21.08,;38.06,-21.86,;36.73,-21.09,;35.39,-21.85,;36.73,-19.55,;35.4,-18.78,;35.4,-17.23,;36.73,-16.45,;38.07,-17.23,;38.07,-18.78,;38.05,-15.65,;38.18,-14.12,;39.67,-13.77,;40.47,-15.08,;42.01,-15.21,;39.47,-16.25,;35.38,-15.7,;35.36,-14.16,;34.02,-13.42,;32.69,-14.2,;32.71,-15.74,;34.05,-16.5,;38.06,-23.4,;36.72,-22.62,;37.28,-24.72,;39.38,-24.17,)|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnc(C)o2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnco2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
Cc1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Cc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
CC(C)c1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1 |r|
CC(C)n1c(CNC2CCCC2)nc(C)c1-c1ccc(Cl)cc1
COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 |r|
CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:21|
C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:12|
COC[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:14|
CN1[C@@H]2CC[C@H]3[C@@H]4C[C@@H](Cc5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cc(F)cc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:31|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
C\C=C1/C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:13|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccncc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(nc5)C5CC5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:33|
COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18|
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(C)nc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
CNc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18|
COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1-c1ccccc1 |r|
Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
Clc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1C1CCCC1 |r|
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
CCCN([C@H]1CCNC1)C(=O)c1ccccc1SC |r|
CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1 |r|
CSc1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1 |r|
CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1 |r|
CC(C)N([C@H]1CCNC1)C(=O)c1ccccc1C(F)(F)F |r|
FC(F)(F)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1 |r|
FC(F)(F)c1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1 |r|
CCCN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
CC(C)c1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1 |r|
CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1 |r|
CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
CCN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
O=C(N(C1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C(=O)C1CCC1 |r|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|
CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:5|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
C[C@H](c1c(CCN(C)C)oc2ccccc12)c1ccccn1 |r|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
O=C(N1CCCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
O=C(N1CCOCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20|
CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1CC2(CCNCC2)Oc2ccccc12
CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12 |r|
CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
CCN(CC)C(=O)c1ccc(cn1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(nc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ncc(cn1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1C)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11|
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(F)c1 |t:11|
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1 |t:11|
O[C@@H]1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 |r|
O[C@H]1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 |r|
OC1(CNC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)CCCCC1
OC12CC3CC(C1)CC(C3)(C2)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 |TLB:11:8:4:2.1.6,9:8:4.3.2:6,0:1:4:7.9.8,THB:9:3:6:7.8.10,10:8:4:2.1.6,10:1:4:7.9.8|
Cc1nccn1CC(NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2cncn2)c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2ccnc2)c2ccccc2)c1
CC(Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
OC(=O)CC(NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1
COc1ccc(OC2CN(C2)C(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)cc1
CN(CC1(O)CCCCC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CC(C2)N2CCCOCC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC2c2cccnc2)c1
OCCC1CCCCN1C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
OCc1cc(Cl)ccc1NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)C1CCN(CC1)C1CN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
O[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 |r|
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2cccn2)c2ccccc2)c1
Oc1ccccc1C1CCN(CC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
CN1CCN(C(C1)c1ccccc1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
OCC1CCCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cc2cnccn2)c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(CN2CCOCC2)c2ccccc2)c1
O[C@@H]1CCCC[C@H]1CNC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 |r|
OC1(Cc2ccccc2)CCN(CC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC(C2)C(=O)N2CCCC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(c2ncc[nH]2)c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NCc2nc3ccccc3[nH]2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)c2c[nH]c(=O)c(Cl)c2)c1
CC(C)C(Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
OC[C@@H](NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r|
OC[C@H](NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r|
Fc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CC(C2)N2CCS(=O)(=O)CC2)c1
CC(=O)NC1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
Fc1cccc(CNC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCn3cccc3C2c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC2Cc2cccnc2)c1
Fc1ccc(cc1)C1CCCN1C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cc(C)cn2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccn2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2ccnc2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccc2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N2CCCCC2=O)cc1
CN(C)CCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
CN(CCO)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)CC2CCOCC2)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)C)cc1
CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN1CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CCN1C[C@H](CC1=O)N(Cc1cc(F)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CN1C[C@H](CC1=O)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r|
CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1
Cc1ncc(cc1NC(=O)c1cnn2cc(ccc12)-c1cnn(C)c1)C(=O)NCCN1CCCC1(C)C
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3F)C2)nnc1-c1cccnc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CC2CCC(C1)O2 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1csnn1 |r|
Cn1nccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C#N |r|
Cc1cc(on1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(O)=O |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccccc3)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccoc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O |r|
CC(=O)c1ccc(cc1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(CC(N)=O)cc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccccn1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccncc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)nnc1-c1cccnc1 |r|
COc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ccc(-c2nnc(SCCCN3CC[C@]4(C[C@@H]4c4ccc(cc4)C(F)(F)F)C3)n2C)c(C)n1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1 |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3cc(Cl)cc(Cl)c3)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CCC(=O)N=C1 |r,c:36,t:31|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCN(CC1)C(N)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(=O)n(C)c1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCOCC1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)S(N)(=O)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cnccn1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|
Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(N)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1csnn1 |r|
CC(=O)NC1CCC(CC1)c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r,wU:21.36,23.25,(23.01,-43.94,;22.38,-42.53,;23.29,-41.28,;20.85,-42.37,;20.22,-40.96,;18.69,-40.8,;18.07,-39.41,;18.97,-38.16,;20.5,-38.31,;21.12,-39.72,;18.34,-36.76,;19.11,-35.42,;18.07,-34.28,;16.66,-34.91,;15.33,-34.15,;14,-34.92,;12.66,-34.15,;11.33,-34.92,;9.99,-34.16,;9.83,-32.63,;8.32,-32.31,;7.55,-33.64,;6.11,-33.09,;6.35,-34.62,;5.81,-36.05,;4.28,-36.29,;3.73,-37.73,;4.71,-38.93,;6.23,-38.68,;6.78,-37.24,;4.16,-40.37,;2.64,-40.61,;5.13,-41.56,;3.75,-41.85,;8.59,-34.79,;16.83,-36.44,;15.69,-37.48,)|
Cc1ncoc1-c1nnc(SCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccnnc1 |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccccc3C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|
Cc1ncsc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccsc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1C(F)(F)F |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)-c1ncco1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccn(C)c(=O)c1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccs1 |r|
Cn1cc(cn1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C#N |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCNC(=O)C1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3)C2)nnc1-c1cccnc1 |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccccc3)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1nccs1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CC=NC(=O)C1 |r,c:33,t:31|
CN1CCC(CC1=O)c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccncc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccncn1 |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C |r|
Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1ccccc1)c1ccc(Br)cc1 |c:10|
Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 |c:10|
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5|
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5|
C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1ncn2-c1ccc(F)cc1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1ncn2-c1ccccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1ncn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CC(=O)C3)n1
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1 |r|
Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Cn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
COc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
[H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r|
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(CN4CCOCC4)cc3[nH]2)c1N
Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccc(C)cc3[nH]2)c1N
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(cc3[nH]2)-c2ccccc2)c1N
Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)c1N
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(cc3[nH]2)S(C)(=O)=O)c1N
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(Br)cc3[nH]2)c1N
Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(CN4CCC(F)(F)CC4)cc3[nH]2)c1N
COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)O[C@H](C)C(F)(F)F)C2CCCCC2)C(=O)N[C@@]2(C[C@H]2C2CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
[H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CC(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)[C@@H]2C)O4 |r|
N[C@H]1CCCN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1ncccc1F |r|
N[C@H]1CCCN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
C[C@@H]1CC[C@H](N)CN1c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1ncccc1F |r|
N[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1Nc1ncc2ccc(nn12)-c1ncccc1F |r|
N[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2(O)CCOCC2)CC1)C#N
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O
COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1
Cc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r|
OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)c1ccc(Cl)c(F)c1 |r|
OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc(Cl)c(F)c1 |r|
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
OC(=O)CCCOc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1Cl
Cc1cc(cc(C)c1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
[H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Cc1c(ccc2nonc12)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
[H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
[H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
[H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
[H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
[H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
[H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r|
[H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
[H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
[H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r|
[H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
[H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1cnc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1 |r|
[H][C@@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1cccc(C#N)c1C |r|
[H][C@@]12CN[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C |r|
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(C)c(C)c2)cc1
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(C)cc2)cc1
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(cc2)C2CC2)cc1
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(Cl)cc2)cc1
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(cc2)C(F)(F)F)cc1
COc1ccc(CCN2[C@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(OC(C)C)cc2)cc1
COCCOc1ccc(cc1)C1CN(NS(C)(=O)=O)C(=O)N1CCc1ccc(OC)cc1
COc1ccc(CCCN2[C@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(CCCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|
CCOc1ccc(CCN2[C@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(cc1)[C@H]1CN(NS(C)(=O)=O)C(=O)N1CCc1ccc(OC(F)(F)F)cc1 |r|
COc1ccc(CCN2[C@H](CN(NS(=O)(=O)Cc3ccccc3)C2=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(CCN2[C@H](CN(NS(=O)(=O)CC#N)C2=O)c2ccc(OC)cc2)cc1 |r|
COc1ccc(CCN2[C@H](CN(NS(=O)(=O)CF)C2=O)c2ccc(OC)cc2)cc1 |r|
C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
OC(=O)c1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc2c1
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
N#Cc1ccc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc12
OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
OC(=O)CCc1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
OC(=O)c1ccnc2c(cccc12)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
CCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
OC(=O)c1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
O=C1Nc2ncc(cc2Cc2cccc(C#N)c12)-c1ccccc1
Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(40.57,-37.22,;39.04,-37.3,;38.07,-36.1,;36.63,-36.65,;36.71,-38.19,;35.64,-39.28,;34.15,-38.88,;33.06,-39.97,;33.3,-41.49,;31.93,-42.19,;30.84,-41.1,;30.1,-42.37,;28.82,-41.79,;28.82,-39.87,;29.66,-38.79,;29.66,-40.42,;28.1,-41.09,;27.31,-42.28,;31.54,-39.73,;36.03,-40.76,;37.51,-41.16,;38.6,-40.08,;38.2,-38.59,)|
Cc1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1 |(10.08,-37.25,;8.75,-36.48,;7.41,-37.24,;6.08,-36.46,;6.09,-34.92,;4.76,-34.15,;3.42,-34.91,;2.09,-34.13,;.76,-34.9,;-.57,-34.12,;-1.91,-34.88,;-3.23,-34.11,;-3.23,-32.57,;-1.9,-31.8,;-.57,-32.58,;-4.56,-31.8,;-5.9,-31.03,;-4.56,-30.26,;-3.22,-29.5,;-3.21,-27.96,;-4.55,-27.19,;-5.89,-27.96,;-5.88,-29.5,;-5.89,-32.57,;-7.22,-31.79,;-8.55,-32.56,;-8.56,-34.1,;-7.21,-34.87,;-5.88,-34.1,;7.42,-34.16,;8.75,-34.93,)|
OC(C1CCNCC1)(c1ccccc1)c1ccccc1
C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
NC(=N)NN=Cc1ccc(cc1)-c1ccc(C=NNc2ccc(F)cc2F)cc1
CC(=N/NC(N)=N)c1ccc-2c(Cc3cc(ccc-23)C(C)=NNC(N)=N)c1
NC(=N)NN=Cc1ccc(cc1)-c1ccc(C=NNc2ccccc2Cl)cc1
NC(=N)NN=Cc1ccc(cc1)-c1ccc(C=NNc2ccccc2Br)cc1
NC(=N)NN=Cc1ccc(cc1)-c1ccc(C=NNc2ccc(F)cc2)cc1
C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
CCCN(C1CCNCC1)C(=O)c1ccc2ccccc2c1
O=C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
CC(C)CN([C@@H]1CCNC1)C(=O)c1ccc2ccccc2c1 |r|
CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 |r|
CS(=O)(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
CS(=O)(=O)N(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
CC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
CCC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
CC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
CCc1n[nH]c(CC)c1Oc1cc(cc(c1)C#N)C#N
CCc1n[nH]c(CC)c1Oc1cc(Cl)cc(c1)C#N
CCc1n[nH]c(CC)c1Oc1cc(C)cc(c1)C#N
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1
C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4
COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,wD:6.6,(13.36,-22.55,;12.59,-21.22,;13.36,-19.89,;14.89,-19.89,;15.67,-18.56,;17.21,-18.56,;17.97,-19.89,;19.51,-19.89,;20.29,-18.56,;21.83,-18.56,;22.59,-17.22,;24.13,-17.22,;24.9,-18.56,;24.13,-19.89,;22.59,-19.89,;26.44,-18.56,;27.34,-19.8,;28.81,-19.32,;28.81,-17.78,;29.95,-16.75,;29.63,-15.25,;28.16,-14.78,;27.02,-15.81,;27.34,-17.31,;17.21,-21.22,;15.67,-21.22,;11.05,-21.22,;10.15,-19.97,;8.68,-20.45,;8.68,-21.98,;10.15,-22.46,)|
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
CC(C)Cc1cc(CNS(=O)(=O)c2ccc(CCc3ccccc3)cc2)nn1-c1ccccc1
CC(C)Cc1cc(CNS(=O)(=O)c2cccc(F)c2)nn1-c1ccccc1
CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1
CC(C)Cc1cc(CNS(=O)(=O)c2ccccc2)nn1-c1ccccc1
CS(=O)(=O)Nc1ccc(OCCNCCNc2ccc(Cl)c(Cl)c2)cc1
CS(=O)(=O)Nc1ccc(CCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
CS(=O)(=O)Nc1ccc(CCCNCCNc2ccc(Cl)c(Cl)c2)cc1
CS(=O)(=O)Nc1ccc(CCC(=O)NC\C=C\c2ccc(Cl)c(Cl)c2)cc1
C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Cc1cc(Nc2ccccc2)nc(NCc2ccccn2)n1
Cc1cc(Nc2ccccc2)nc(NCc2ccc3OCOc3c2)n1
FC(F)(F)c1cc(Nc2ccccc2)nc(NCc2ccccn2)n1
FC(F)(F)c1cc(Nc2ccncc2)nc(NCc2ccc3OCOc3c2)n1
C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N
Cc1ccccc1CN([C@H]1CCN(C1)S(C)(=O)=O)c1ccc(C#N)c(Cl)c1 |r|
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
COC1(CCOCC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(-c4c(C)nn(C)c4C)c3o2)cn1 |(27.97,-16.65,;26.65,-17.44,;26.66,-18.99,;26.66,-20.53,;27.99,-21.29,;29.33,-20.52,;29.33,-18.98,;27.99,-18.21,;25.33,-18.23,;24,-19,;22.66,-18.23,;22.67,-16.69,;21.33,-15.93,;20,-16.7,;20,-18.24,;18.66,-15.93,;18.66,-14.39,;17.31,-13.61,;17.31,-12.07,;15.98,-14.4,;14.65,-13.63,;13.32,-14.4,;11.99,-13.63,;13.32,-15.95,;14.65,-16.72,;14.65,-18.27,;15.9,-19.17,;17.36,-18.7,;15.42,-20.64,;13.88,-20.64,;12.98,-21.89,;13.41,-19.17,;11.94,-18.7,;15.99,-15.94,;17.33,-16.71,;23.99,-15.92,;25.32,-16.68,)|
COc1cc2CC[C@@H](Oc2c(c1)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 |r|
CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1 |t:6|
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r|
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r|
CCOC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1 |r|
CC(C)c1ccc(C)c(NC(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc23)c1
COc1ccc(OC)c(Cc2nc3ccccc3n2CC(=O)Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)c1
CN(C)CCCNC(=O)c1ccc(Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc23)cc1
CCN1CCCC1CNC(=O)c1ccc(Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc23)cc1
C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|
COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)|
CCCOCCn1c2cc(ncc2nc(N2CCNCC2)c1=O)-c1ccc(OC)nc1
CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1
CCCOCCn1c2cc(ncc2nc(N2CCN(CC2)[C@@H](C)[C@@H](C)O)c1=O)-c1ccc(OC)nc1 |r|
CCCOCCn1c2cc(ncc2nc(N2CCN(C[C@@H](C)O)CC2)c1=O)-c1ccc(OC)nc1 |r|
CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1
CCCOCCn1c2cc(ncc2nc(N2CCN(CC)CC2)c1=O)-c1ccc(OC)nc1
Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC2(CCCN2)CC1
CNC(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F
Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC(CC1)N1CCCC1
Brc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(31.84,-7.59,;31.28,-9.04,;32.26,-10.25,;31.7,-11.69,;30.17,-11.93,;29.32,-13.21,;27.82,-12.8,;27.76,-11.26,;29.2,-10.72,;29.76,-9.28,;26.49,-13.57,;26.86,-15.04,;25.85,-14.32,;24.48,-14.39,;24.4,-12.68,;25.02,-11.54,;25.08,-12.95,;23.79,-13.65,;23.49,-15.09,)|
Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(-1.41,-19.11,;-1.97,-20.56,;-.99,-21.77,;-1.55,-23.21,;-3.08,-23.45,;-3.94,-24.73,;-5.43,-24.32,;-5.49,-22.78,;-4.05,-22.24,;-3.49,-20.8,;-6.76,-25.09,;-6.39,-26.56,;-7.4,-25.84,;-8.78,-25.91,;-8.85,-24.2,;-8.23,-23.06,;-8.17,-24.47,;-9.47,-25.17,;-9.77,-26.61,)|
Fc1cnc2nc(oc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(8.59,-18.46,;8.03,-19.91,;9,-21.12,;8.44,-22.56,;6.91,-22.8,;6.06,-24.08,;4.57,-23.67,;4.5,-22.13,;5.95,-21.59,;6.5,-20.15,;3.23,-24.44,;3.6,-25.91,;2.6,-25.19,;1.22,-25.26,;1.14,-23.55,;1.76,-22.41,;1.82,-23.82,;.53,-24.52,;.23,-25.96,)|
Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(20.91,-29.51,;19.38,-29.74,;18.4,-28.53,;16.88,-28.77,;16.32,-30.21,;14.88,-30.76,;14.94,-32.29,;16.44,-32.7,;17.29,-31.42,;18.82,-31.19,;13.61,-33.07,;13.98,-34.53,;12.97,-33.81,;11.6,-33.88,;11.52,-32.18,;12.14,-31.03,;12.2,-32.44,;10.91,-33.15,;10.61,-34.59,)|
Clc1cnc2oc(nc2c1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(32.86,-26.98,;31.33,-27.22,;30.35,-26.01,;28.83,-26.25,;28.27,-27.69,;26.83,-28.23,;26.89,-29.77,;28.39,-30.18,;29.24,-28.9,;30.77,-28.66,;25.56,-30.54,;25.93,-32.01,;24.92,-31.29,;23.55,-31.36,;23.47,-29.65,;24.09,-28.51,;24.15,-29.92,;22.85,-30.62,;22.55,-32.06,)|
Cc1nc2nc(oc2cc1Cl)N1CCN2CCC1CC2 |TLB:5:11:16.15:18.19,(1.04,-10.22,;-.49,-10.46,;-1.05,-11.9,;-2.58,-12.13,;-3.43,-13.41,;-4.92,-13,;-4.98,-11.47,;-3.54,-10.92,;-2.99,-9.49,;-1.46,-9.25,;-.9,-7.79,;-6.25,-13.78,;-5.89,-15.24,;-6.89,-14.52,;-8.27,-14.59,;-8.34,-12.89,;-7.73,-11.74,;-7.66,-13.15,;-8.96,-13.86,;-9.26,-15.3,)|
CCc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:7:11:16.15:18.19,(12.49,-11.15,;11.52,-9.95,;9.99,-10.18,;9.01,-8.97,;7.49,-9.21,;6.93,-10.65,;5.49,-11.2,;5.55,-12.73,;7.05,-13.14,;7.9,-11.86,;9.43,-11.63,;4.22,-13.5,;4.59,-14.97,;3.58,-14.25,;2.21,-14.32,;2.13,-12.61,;2.75,-11.47,;2.81,-12.88,;1.52,-13.58,;1.22,-15.03,)|
Fc1ccccc1-c1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:12:16:21.20:23.24,(13.59,-22.93,;13.62,-21.39,;14.96,-20.63,;14.98,-19.08,;13.64,-18.29,;12.3,-19.05,;12.29,-20.59,;10.94,-21.35,;9.97,-20.14,;8.45,-20.38,;7.89,-21.81,;6.45,-22.36,;6.51,-23.89,;8,-24.3,;8.86,-23.02,;10.38,-22.79,;5.18,-24.67,;5.55,-26.13,;4.55,-25.41,;3.17,-25.48,;3.1,-23.78,;3.71,-22.63,;3.77,-24.05,;2.48,-24.75,;2.18,-26.19,)|
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@H]1C[C@@H]2CNC[C@@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(O)c3ccccc3)C[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 |r|
CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r|
CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r|
CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(OC2CCCC2)c1)C(=O)c1cn(C)cn1 |r|
CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r|
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15|
Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r|
CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r|
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)CC)ccc1OC
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(N)=O)cc(OCC)c1F
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(O)=O)cc(OCC)c1Cl
CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)ccc1Cl
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1 |r|
Cc1nc(C)c(s1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2F)C(F)(F)F)n1C
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r|
COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1 |r|
C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ncc(F)cn1 |r|
C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCN(C)CC1)c1ccc(F)cn1 |r|
C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ccc(F)cn1 |r|
C[C@H](Nc1nc(Nc2ncc(s2)C#N)cc(n1)N1CCOCC1)c1ccc(F)cn1 |r|
FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N
CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1
Fc1ccc(CNC(=O)N(C2CCN(Cc3ccnnc3)CC2)c2ccc(Cl)cc2)cc1
Brc1ccc(cc1)N(C1CCN(Cc2ccncc2)CC1)C(=O)NCc1ccccc1
Brc1ccc(cc1)N(C1CCN(Cc2ccnnc2)CC1)C(=O)NCc1ccccc1
Brc1ccc(cc1)N(C1CCN(CC1)C1CCCC1)C(=O)NCc1ccccc1
Brc1ccc(cc1)N(C1CCN(CC1)C1CCCC1)C(=O)Nc1ccccc1
Fc1ccc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)cc1
CCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1
CCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cn1
OCCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1
OCCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1
Fc1ccc(CNC(=O)N(C2CCN(Cc3ccncc3)CC2)c2ccc(Cl)cc2)cc1
Clc1cc(Cl)cc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)c1
Clc1cc2[nH]nc(NC(=O)Nc3ccccc3)c2cc1-c1ccccc1
OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Cc1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1
Cc1[nH]c2ccccc2c1C1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1
Cc1[nH]c2ccccc2c1CC1CCCCN1Cc1ccc(\C=C\C(=O)NO)cc1
Cc1[nH]c2ccccc2c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1
Cc1[nH]c2ccccc2c1CCN1Cc2ccc(\C=C\C(=O)NO)cc2C1
Cc1[nH]c2ccccc2c1CCN1CCc2cc(\C=C\C(=O)NO)ccc2C1
Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2C1
Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2CC1
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)cc1
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c([nH]c3ccccc23)-c2ccccc2)cc1
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)c(F)c1
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c([nH]c3ccccc23)-c2ccccc2)c(F)c1
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2F)C1
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2Cl)C1
CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
Cc1sc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccccc1Cl
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(F)cc1
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(C)cc1
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(F)(F)F
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Cc1nc(oc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Cc1nc(sc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|
Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
CN(C)CCC1=C(Cc2cnccn2)c2ccc(C)cc2C1 |c:5|
COc1ccc2C(Cc3cnccn3)=C(CCN(C)C)Cc2c1 |t:14|
CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1 |c:5|
CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1 |c:5|
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc12 |c:10|
CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1 |c:5|
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc12 |c:10|
CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1 |c:5|
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1cnccn1 |r,c:2|
COc1ccc2C([C@@H](C)c3cnccn3)=C(CCN(C)C)Cc2c1 |r,t:15|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11|
COc1ccc2C([C@@H](C)c3nccnc3OC)=C(CCN(C)C)Cc2c1 |r,t:17|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1nccs1 |r,c:2|
COc1ccc2C([C@@H](C)c3nccs3)=C(CCN(C)C)Cc2c1 |r,t:14|
C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc12)c1nccs1 |r,c:2|
COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc12 |c:10|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc12 |r,c:11|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nccs1 |r,c:2|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nc(C)cs1 |r,c:2|
CN(C)CCC1=C(Cc2cncc(C)n2)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2nccnc2C)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2cnc(C)cn2)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1 |c:5|
OC(C(N1CCOCC1)c1ccccc1)(c1ccccc1)c1ccccc1
OCC(N1CCOCC1)c1ccccc1
CC(C)(O)C(N1CCOCC1)c1ccccc1
CC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1
OC(C(N1CCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
CC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
CC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
OC(C(Cc1ccccc1)N1CCOCC1)(c1cccnc1)c1cccnc1
CCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
CCCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
OC(Cc1ccccc1)(c1cccnc1)c1cccnc1
NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
CN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
OC(C(N1CCC1)c1ccccc1)(c1cccnc1)c1cccnc1
CCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
COCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
OC(C(N1CCCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
OC(C(N1CCNCC1)c1ccccc1)(c1cccnc1)c1cccnc1
OC(C(N1CCCCC1)c1ccccc1)(c1cccnc1)c1cccnc1
OC(C(N1CCCC1)c1ccccc1)(c1cccnc1)c1cccnc1
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2ccccc2)C1=O |r|
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccc(C)cc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
CC(C)(O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
CC1(C)CC(NC(=O)C2(O)CC2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Cc1cc(Cl)ccc1-c1nc2OC(C)(C)CC(NC(=O)C(O)C(F)(F)F)c2cc1-c1ccc(Cl)cc1
CC(O)(C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(F)(F)F
CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
CC1(C)C[C@@H](NC(=O)c2ccccc2O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
CC1(C)C[C@@H](NC(=O)c2ccccc2N)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
CCc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Cc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Cc1n[nH]c(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(cc23)-c2ccc(Cl)cc2)c1C |r|
CC1(C)C[C@@H](NC(=O)c2[nH]nc3CCCc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Cc1[nH]ncc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Cc1nnc([nH]1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
CC1(C)C[C@@H](NC(=O)c2ccc3[nH]ncc3c2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
CC(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
CC(=O)N[C@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
CC1(C)C[C@@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)[C@@H]3CCc4cc(ccc4C3)C#N)C[C@@H](O)c2c1 |r|
NC(=O)c1c(F)ccc(OCc2nc3ncc(Cl)cc3s2)c1F
CCOCCn1c(nc2ccccc12)N1CC[C@@H](C1)N(C)C |r|
COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
CCOCCn1c(nc2ccccc12)[C@@H]1CCCN(C1)C1CCOCC1 |r|
CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r|
CN1CCC[C@@H](C1)c1nc2ccccc2n1Cc1ccccn1 |r|
CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccccn1 |r|
CCOCCn1c(nc2ccccc12)[C@H]1CCCN(C)C1 |r|
CCOCCn1c(nc2ccccc12)[C@@H]1CCCN(C)C1 |r|
CN1CCC[C@@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r|
Cc1csc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCOCC2)n1
Cc1csc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)n1
CCOCCn1c(nc2ccccc12)C1CCCN(C1)C1CCOCC1
CCOCCn1c(nc2ccccc12)C1CCCN(C1)C1CCCCC1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCOCC2)cc1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C(C)C)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
CC(C)N1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN1CCCC(C1)c1nc2ccccc2n1CC1CCCO1
CN1CCCC(C1)c1nc2ccccc2n1Cc1nc(C)cs1
CN1CCCC(C1)c1nc2ccccc2n1Cc1ccccn1
CCOCCn1c(nc2ccccc12)C1CCCN(C)C1
CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C)C2)cc1
CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1
Nc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F |(15,-16.28,;13.66,-17.04,;12.34,-16.27,;11.01,-17.03,;9.67,-16.27,;9.67,-14.73,;11.01,-13.96,;12.35,-14.72,;11.01,-12.4,;9.67,-11.64,;8.34,-12.41,;8.34,-13.96,;7,-14.73,;8.34,-17.03,;7.01,-16.26,;8.34,-18.57,;9.67,-19.35,;11,-18.57,;12.32,-19.35,;13.66,-18.59,;12.31,-20.89,;10.97,-21.64,;10.96,-23.18,;12.29,-23.96,;12.28,-25.51,;13.63,-23.19,;13.64,-21.66,;14.97,-20.89,)|
Fc1ccc(c(F)c1)-c1cccc2c(-c3c(F)cccc3F)c(=O)ccn12 |(29.65,-6.7,;29.65,-5.16,;28.31,-4.39,;28.31,-2.85,;29.65,-2.08,;30.98,-2.84,;32.31,-2.07,;30.99,-4.38,;29.65,-.54,;30.98,.23,;30.98,1.77,;29.65,2.53,;28.33,1.77,;27,2.55,;27,4.09,;28.33,4.85,;29.67,4.08,;28.33,6.39,;27,7.17,;25.66,6.39,;25.67,4.85,;24.33,4.08,;25.67,1.77,;24.33,2.53,;25.67,.23,;27,-.54,;28.32,.23,)|
Fc1ccc(c(F)c1)-c1cccc2c(-c3cc(ccc3F)-c3nnco3)c(=O)ccn12 |(12.42,-9.58,;12.42,-8.04,;11.08,-7.27,;11.09,-5.73,;12.43,-4.96,;13.76,-5.73,;15.09,-4.95,;13.76,-7.26,;12.43,-3.42,;13.76,-2.65,;13.75,-1.11,;12.42,-.35,;11.1,-1.11,;9.77,-.33,;9.77,1.21,;11.11,1.97,;11.11,3.51,;9.77,4.29,;8.43,3.51,;8.44,1.97,;7.11,1.2,;12.44,4.28,;13.91,3.83,;14.8,5.09,;13.87,6.32,;12.42,5.83,;8.44,-1.11,;7.1,-.35,;8.44,-2.65,;9.77,-3.42,;11.1,-2.65,)|
Cc1nnc(o1)-c1ccc(F)c(c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(31.09,6.57,;30.64,5.09,;31.57,3.86,;30.68,2.6,;29.21,3.05,;29.18,4.59,;27.88,2.28,;26.54,3.06,;25.2,2.28,;25.21,.74,;23.87,-.03,;26.54,-.02,;27.87,.74,;26.54,-1.56,;27.87,-2.34,;29.19,-1.58,;30.52,-2.34,;30.52,-3.88,;29.19,-4.65,;29.19,-6.19,;27.85,-6.96,;27.85,-8.5,;29.19,-9.27,;29.19,-10.81,;30.53,-8.49,;30.52,-6.95,;31.85,-6.18,;27.86,-3.88,;26.54,-4.65,;25.21,-3.88,;25.21,-2.34,;23.87,-1.58,)|
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(n2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCOc3c2)-c2ccsc2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2cccc(F)c2)-c2ccc3OCOc3c2)c1CCC(O)=O
Fc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r|
Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r|
CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccc(F)c1 |r|
Clc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r|
Clc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r|
O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCC1 |r|
Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCCC2)cc1 |r|
O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r|
CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r|
FC(F)(F)c1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1
FC(F)(F)c1ccccc1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1
Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCOCC1
Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCOCC1
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c(c1)-c1ccnn1C
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2ccnn2C)CC1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N |r|
C[C@@H]1CCCN1CCc1ccc2ncccc2c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(C)ccc2c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)C1CC1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)C(C)(C)C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nccs1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)C1=NCCS1 |r,t:21|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cccnc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccncc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C#N)c(C)nc1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C(N)=O)c(C)nc1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(O)ccnc1C(F)(F)F |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnccn1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1cc(Cl)nc(Cl)c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccc(OCC(F)(F)F)nc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(s1)-c1ccc(C)s1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccc(Cl)c(Cl)c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1cc(cc(C)n1)C(F)(F)F |r|
CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccc(nn1)N(C)C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1oc(C)nc1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(Br)no1 |r|
CCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |r|
CCOC(=O)c1cc(on1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc[nH]n1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(C)c1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn(C)nc1C
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)n[nH]c1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccoc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccsc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cccs1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1 |r|
COc1ncc(cn1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc(nc1C)N1CCCC1
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C)nc(n1)-c1ccccc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)N1CCCCC1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc(s1)-c1ccccc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cccs1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cnccn1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)N1CCOCC1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1ccccn1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cccnc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1onc(c1C)-c1ccc(Cl)cc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccc(Cl)cc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(Cl)n(C)nc1-c1ccccc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccccc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nc2ccccc2s1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2nc3ccccc3n2c1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2ncnn2c1C |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn2CCSc2n1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)nc2ccccn12 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2nccnc2c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc2cccnc2nc1C
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2OCOCc2c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(s1)C#N |r|
CCOC(=N)c1ccc(s1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccccn1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1ccncc1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1csc(C)n1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1cc(C)on1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2OCOc2c1 |r|
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2cc(C)nn2c1C
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccn2ncnc2n1 |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O |r|
CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O |r|
Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2occc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2sccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ncc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1cccc2[nH]ccc12 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2cc[nH]c2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(C)cc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccccc1 |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2sccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]ncc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]ccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1cccc2[nH]ccc12 |r|
CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2cc[nH]c2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccccc1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2occc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2sccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]ncc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]ccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1cccc2[nH]ccc12 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccccc1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2occc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2sccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ncc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ccc2c1 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]c(cc2c1)C(F)(F)F |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1cccc2[nH]ccc12 |r|
CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2cc[nH]c2c1 |r|
CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1
C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
OC(=O)C[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 |r|
COCCC([C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1)C(O)=O |r|
Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(CCc2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
NC(=O)c1cccc(c1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
CC(O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1
C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1 |r|
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)c(F)c1
C(CCCN1CCN(CC1)c1ccccc1)CCN1CCN(CC1)c1ccccc1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(C)c2)CC1
COc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(OC)c2)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(Cl)c2)CC1
C(CCCN1CCN(CC1)c1ccccn1)CCN1CCN(CC1)c1ccccn1
C(CCCN1CCN(CC1)c1ccccn1)CCN1CCN(CC1)c1ccccc1
Cc1cccc(n1)N1CCN(CCCCCCN2CCN(CC2)c2ccccc2)CC1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccc2)CC1
C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(C)n2)CC1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccnc3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(Cl)c2)CC1
COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccc1)C(=O)N(C)CCCN1CCN(CC1)c1cccc(C)c1C
CN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1cc(-c2ccccc2)n(C)c1C
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccn1
Cc1c(cc(-c2ccccn2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccn1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(-c2cccnc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|
Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
CCS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F
CC(C)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F
CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
CCCC1(CCCN1)C(=O)c1ccc2[nH]ccc2c1
CCCC1(CCCN1)C(=O)c1cc(F)c2[nH]ccc2c1
CCCC1(CCCN1)C(=O)c1ccc(Cl)c(Cl)c1
CCCC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1
CC(C)OCC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1
CCCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1
CC(C)CC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1
CC(C)(C)CCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.13.11:8.9|
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.10.15:12.13|
CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|
CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)|
CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,wD:9.9,17.20,6.5,TLB:10:11:17.18.16:13.14,(6.65,-9.2,;5.4,-8.3,;5.56,-6.77,;4,-8.94,;2.75,-8.04,;3.85,-10.47,;5.1,-11.37,;6.5,-10.74,;7.75,-11.63,;7.6,-13.16,;8.85,-14.05,;10.47,-13.12,;11.04,-15.05,;9.53,-14.77,;8.87,-13.28,;9.43,-11.99,;10.92,-11.59,;12.17,-12.51,;12.21,-14.04,;13.53,-11.8,;14.83,-12.62,;14.76,-14.17,;16.07,-14.99,;17.43,-14.27,;17.49,-12.73,;16.19,-11.91,;18.85,-12.01,;20.16,-12.83,;18.91,-10.47,;6.2,-13.8,;4.94,-12.9,)|
CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(c1)S(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:19:18:17.11.12:15.14|
NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1ccnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccn1 |r,TLB:15:14:13.7.8:11.10|
NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(c1)C(N)=O |r,TLB:13:12:11.5.6:9.8|
Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O |r,TLB:12:11:10.4.5:8.7|
NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:18:17:14.13:16.10.11|
NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 |r,TLB:16:15:14.8.9:12.11|
Cc1cc(ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1 |r,TLB:16:15:14.8.9:12.11|
NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1 |r,TLB:16:15:14.8.9:12.11|
Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:15:14:13.7.8:11.10|
CC(C)(Cc1cccc(CC(=O)NCc2cccc(c2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12|
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8|
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1 |r,TLB:5:6:12.11.13:9.8|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8|
Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9|
Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 |r,TLB:17:16:9.15.10:13.12|
CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:0:1:7.6.8:4.3|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12|
CS(=O)(=O)Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:9:10:16.15.17:13.12|
Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cn1 |r,TLB:4:5:11.10.12:8.7|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1C |r,TLB:1:2:8.7.9:5.4|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1 |r,TLB:17:16:9.15.10:13.12|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12|
CC(C)(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:3:9.8.10:6.5|
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2(CC2)c2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12|
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccncc1 |r,TLB:1:2:8.7.9:5.4|
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
C[C@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4|
COc1cccc(c1)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:8:10:16.15.17:13.12|
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)nc1 |r,TLB:1:2:8.7.9:5.4|
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccnc(Cl)c1 |r,TLB:1:2:8.7.9:5.4|
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(Cl)nc1 |r,TLB:1:2:8.7.9:5.4|
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4|
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2)CC1
C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
Fc1cc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNCc5c4)CC3)c2c1
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2)CC1
Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12
C(CCN1CCN(CC1)c1cccc2ccccc12)COc1ccc2CNCc2c1
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNCc5c4)CC3)c2c1
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3
CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(=O)N(C)C
CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(=O)N(C)CCN(C)C
CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3
CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(=O)N(C)Cc1ccccc1
OCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
OC(=O)CCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
CCC(CC)NC(=O)CCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
FC(F)(F)CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
CN1CCN(CCCc2cc(nc(n2)C#N)-c2cccc(c2)C(F)(F)F)CC1
FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCOCC2)nc(n1)C#N
COCCNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
OC1CCN(CCCc2cc(nc(n2)C#N)-c2cccc(c2)C(F)(F)F)CC1
FC(F)(F)c1cccc(c1)-c1cc(CCCNc2ccccn2)nc(n1)C#N
OC(=O)CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
FC(F)(F)c1cccc(c1)-c1cc(CCCNCc2nnn[nH]2)nc(n1)C#N
NC(=O)CNCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
NC(=O)C1(CC1)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
NC(=O)C1(CCC1)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
NC(=O)C1(CCOCC1)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
NC(=O)[C@@H]1COCCN1CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F |r|
Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
FC(F)(F)COc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1 |r|
ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1 |r|
CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOCC1 |r,TLB:0:1:3.4.5:7.8.9|
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)N1CCOCC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(2.46,-6.94,;3.79,-7.71,;5.13,-6.93,;5.12,-5.39,;4.93,-4.01,;6.4,-3.37,;7.75,-3.97,;8.02,-5.37,;6.66,-4.73,;6.91,-2.84,;6.47,-1.73,;3.8,-9.25,;2.47,-10.02,;2.47,-11.56,;3.8,-12.33,;5.14,-11.56,;6.61,-12.04,;7.52,-10.78,;6.61,-9.53,;5.13,-10.01,;9.06,-10.78,;9.83,-12.12,;11.36,-12.12,;12.14,-10.78,;11.36,-9.44,;9.82,-9.45,)|
C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|
COc1ccccc1-c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:20.22,TLB:19:20:24.23:26.27,(3.15,-.28,;2.38,-1.62,;3.16,-2.95,;4.69,-2.94,;5.47,-4.28,;4.7,-5.62,;3.16,-5.62,;2.39,-4.28,;.85,-4.28,;-.06,-3.03,;-1.53,-3.51,;-2.87,-2.74,;-4.19,-3.52,;-4.2,-5.06,;-2.86,-5.83,;-1.53,-5.06,;-.06,-5.54,;-2.87,-1.2,;-4.21,-.44,;-1.54,-.43,;-1.54,1.11,;-1.74,2.49,;-.27,3.14,;1.08,2.53,;1.36,1.13,;-.01,1.77,;.25,3.66,;-.2,4.77,)|
COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)C1CC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(3.1,1.5,;4.44,.73,;5.77,1.51,;5.77,3.05,;5.57,4.43,;7.04,5.08,;8.39,4.47,;8.67,3.07,;7.3,3.71,;7.56,5.61,;7.11,6.71,;4.44,-.81,;3.11,-1.58,;3.11,-3.13,;4.45,-3.9,;5.78,-3.12,;7.25,-3.6,;8.17,-2.35,;7.25,-1.09,;5.78,-1.57,;9.7,-2.34,;11.04,-3.11,;11.03,-1.57,)|
CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)C1CC1 |r,TLB:0:1:3.4.5:7.8.9|
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O
Nc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:13.14,TLB:12:13:17.16:19.20,(3.57,-5.44,;2.04,-5.44,;1.13,-4.19,;-.35,-4.67,;-1.68,-3.9,;-3.01,-4.67,;-3.01,-6.22,;-1.68,-6.99,;-.35,-6.22,;1.13,-6.7,;-1.69,-2.36,;-3.02,-1.6,;-.36,-1.59,;-.36,-.05,;-.56,1.33,;.91,1.98,;2.26,1.37,;2.54,-.03,;1.17,.61,;1.43,2.51,;.98,3.61,)|
Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,TLB:13:14:18.17:20.21,(4.69,-4.73,;3.15,-4.73,;2.24,-3.48,;.76,-3.96,;-.57,-3.2,;-1.9,-3.97,;-1.9,-5.51,;-3.24,-6.28,;-.57,-6.28,;.76,-5.51,;2.24,-5.99,;-.58,-1.66,;-1.91,-.89,;.76,-.88,;.75,.66,;.56,2.04,;2.02,2.68,;3.38,2.08,;3.65,.68,;2.28,1.32,;2.54,3.21,;2.09,4.32,)|
CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Cc1nc(cc(n1)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Cc1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CC(C)c1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCS(=O)CC1)c1cccc(F)c1 |r,THB:18:17:10.11.16:13.14|
Cc1nc2ccc(F)cc2n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1cccc(F)c1 |r,THB:19:18:11.12.17:14.15|
Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCSCC1)c1cccc(F)c1 |r,THB:18:17:10.11.16:13.14|
CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1cccc(Cl)c1
CN(C)CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1
CN(C)CCCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
CN(C)CC(O)Cn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r|
CO[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r|
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(C[C@@H]3CCCN3)ncc2c1 |r|
O[C@H]1CNC(Cn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r|
OC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O |r|
COC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O |r|
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
CN1CCN=C1Cn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O |c:4|
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCOCC3)ncc2c1
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CC4CC3CO4)ncc2c1 |TLB:21:22:25:27.28|
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCNCC3)ncc2c1
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1 |r|
CCN1C[C@H](NS(=O)(=O)C(C)C)[C@H](C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1 |r|
CC(C)N1C[C@H](NS(=O)(=O)C(C)C)[C@H](C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1)c1ccccc1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
CCN1C[C@H](NS(=O)(=O)C(C)C)[C@H](C1)c1ccc(cc1)-c1ccc(cc1)C#N |r|
CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N)c1ccccc1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(C)=O |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccnc1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccnc1F |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1ccc(F)nc1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1c1ccc(cc1)-c1ccc(F)nc1)c1ccccc1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccs1 |r|
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1ccsc1 |r|
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1cccc(c1)C(C)=O |r|
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccc(F)nc1 |r|
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1cncc(F)c1 |r|
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccc(F)cn1 |r|
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1cccs1 |r|
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccsc1 |r|
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r|
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccccc1 |r,wU:3.2,25.26,wD:7.8,28.30,(29.02,-41.06,;27.77,-40.16,;27.93,-38.63,;26.68,-37.73,;25.22,-38.21,;24.31,-36.96,;25.21,-35.71,;26.67,-36.19,;28,-35.42,;29.34,-36.19,;29.34,-37.73,;30.67,-35.42,;32,-36.19,;33.34,-35.42,;33.34,-33.88,;34.67,-36.19,;36,-35.42,;37.33,-36.18,;37.34,-37.73,;36,-38.51,;34.67,-37.73,;36,-40.05,;34.67,-40.81,;37.34,-40.82,;35.99,-41.58,;22.77,-36.96,;22,-38.3,;20.46,-38.3,;19.69,-36.96,;19.28,-35.47,;20.46,-35.63,;22,-35.63,;18.15,-36.96,;17.39,-35.62,;15.85,-35.61,;15.07,-36.95,;15.85,-38.29,;17.39,-38.29,)|
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc(C)cc1 |r,wU:3.2,25.26,wD:7.8,28.30,(4.62,-48.68,;3.37,-47.78,;3.52,-46.25,;2.27,-45.35,;.81,-45.83,;-.1,-44.58,;.81,-43.34,;2.26,-43.81,;3.6,-43.04,;4.93,-43.81,;4.93,-45.35,;6.26,-43.04,;7.6,-43.81,;8.93,-43.04,;8.93,-41.5,;10.26,-43.81,;11.59,-43.04,;12.93,-43.81,;12.93,-45.36,;11.6,-46.13,;10.26,-45.36,;11.6,-47.67,;10.26,-48.44,;12.93,-48.44,;11.58,-49.2,;-1.64,-44.58,;-2.41,-45.92,;-3.95,-45.92,;-4.72,-44.58,;-5.13,-43.09,;-3.94,-43.25,;-2.41,-43.25,;-6.25,-44.58,;-7.02,-43.24,;-8.56,-43.24,;-9.33,-44.57,;-10.87,-44.57,;-8.56,-45.91,;-7.02,-45.91,)|
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1 |r,wU:25.26,3.2,wD:7.8,28.30,(30.12,-51.02,;28.87,-50.12,;29.03,-48.59,;27.78,-47.69,;26.31,-48.17,;25.41,-46.92,;26.31,-45.68,;27.77,-46.15,;29.1,-45.38,;30.43,-46.15,;30.43,-47.69,;31.77,-45.38,;33.1,-46.15,;34.43,-45.38,;34.43,-43.84,;35.77,-46.15,;37.1,-45.38,;38.43,-46.15,;38.44,-47.7,;37.1,-48.47,;35.77,-47.7,;37.1,-50.01,;35.77,-50.78,;38.43,-50.78,;37.08,-51.54,;23.87,-46.93,;23.1,-48.26,;21.55,-48.26,;20.78,-46.92,;20.38,-45.43,;21.56,-45.59,;23.09,-45.59,;19.25,-46.92,;18.48,-48.25,;16.95,-48.25,;16.17,-46.91,;14.67,-46.59,;14.51,-45.06,;15.92,-44.44,;16.94,-45.58,;18.48,-45.58,)|
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(CO)sc3c2)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)(C)O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)=O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)N(C)C)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)NC)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2cccc(F)c2)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F
CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r|
CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
CC(C)(O)C(=O)N1CCC(CCN2CCC(CC2)N(C(=O)NCc2ccc(cc2)C#N)c2cccc(F)c2)(CC1)c1cccc(F)c1
Fc1cccc(c1)N(C1CCN(CCC2(CCN(CC2)C(=O)c2c(F)cccc2F)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N
Fc1cccc(c1)N(C1CCN(CCC2(CCN(CC2)C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N
Oc1cc(F)ccc1C(=O)N1CCC(CCN2CCC(CC2)N(C(=O)NCc2ccc(cc2)C#N)c2cccc(F)c2)(CC1)c1cccc(F)c1
Fc1cccc(c1)N(C1CCN(CCC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N
NC(=O)c1cccc(c1)C(=O)N1CCC(CCN2CCC(CC2)N(C(=O)NCc2ccc(cc2)C#N)c2cccc(F)c2)(CC1)c1cccc(F)c1
COc1cc(C=Cc2nc3scc(C)c3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(C=Cc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(C=Cc2nc3sc4CCCc4c3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(\C=C\c2nc(N)c3ccccc3n2)ccc1-n1cnc(C)c1
COc1cc(\C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)ccc1-n1cnc(C)c1
COc1cc(\C=C\c2nc3ccccc3c(=O)n2C)ccc1-n1cnc(C)c1
COc1cc(\C=C\c2nc(N)nc(Nc3ccccc3)n2)ccc1-n1cnc(C)c1
CCOC(=O)c1sc2nc(\C=C\c3ccc(c(OC)c3)-n3cnc(C)c3)nc(N)c2c1C
COc1cc(\C=C\c2nc(N)c3c(n2)oc2ccccc32)ccc1-n1cnc(C)c1
COc1cc(\C=C\c2nc(NCc3ccccc3)c3c4CCCc4sc3n2)ccc1-n1cnc(C)c1
COc1cc(\C=C\c2nc(N)c3c4CCCCCc4sc3n2)ccc1-n1cnc(C)c1
COc1cc(\C=C\c2nc3ccccc3[nH]2)ccc1-n1cnc(C)c1
COc1cc(C=Cc2nc3ccccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(C=Cc2nc3ccc(F)cc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(C=Cc2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(C=Cc2nc3cc(Br)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(C=Cc2nc3cc(ccc3c(=O)[nH]2)S(C)(=O)=O)ccc1-n1cnc(C)c1 |w:5.4|
COc1cc(C=Cc2nc3cc(ccc3c(=O)[nH]2)C(F)(F)F)ccc1-n1cnc(C)c1 |w:5.4|
Fc1ccccc1COc1ccn(-c2ccc(OCCN3CCCC3)cc2)c(=O)c1
Fc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Clc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
FC(F)(F)c1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1
O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCOCC2)cc1
CN(C)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
CCN(CC)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
CC(C)N(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)C(C)C
CN(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)Cc1ccccc1
CN1CCCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
CN1CCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
CN1CCC(C1)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
CCN(CC)CCNc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
CCN(CC)CCN(C)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ncccc1C#N |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccn1 |r|
C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1 |r|
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1 |r|
N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1 |r|
COC(=O)c1coc(CN2CCN(CC2)C(=O)CC(c2ccc(F)cc2)c2ccc(Br)cc2)n1
COC(=O)c1coc(CN2CCN(CC2)C(=O)CC(c2ccc(F)cc2)c2ccc(cc2)C(F)(F)F)n1
Cc1ccc2nc(CN3CCN(CC3)C(=O)CC(c3ccccc3)c3ccc(F)cc3)oc2c1
COc1ccc(cc1)C(CC(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1)c1ccccc1
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2cc(Cl)cc(Cl)c2)cc1
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN(C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
OC(=O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1Cl |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F |r|
O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:10.18,4.7,wD:1.0,(28.92,-17.2,;30.26,-16.44,;31.59,-17.22,;32.93,-16.47,;32.94,-14.93,;31.61,-14.15,;30.28,-14.9,;34.28,-14.17,;35.61,-14.95,;35.59,-16.49,;36.94,-14.19,;38.27,-14.97,;38.25,-16.51,;39.57,-17.29,;40.92,-16.53,;40.93,-14.99,;39.6,-14.2,;36.96,-12.65,;37.86,-11.39,;36.94,-10.14,;35.47,-10.63,;34.13,-9.86,;32.8,-10.63,;31.47,-9.86,;32.8,-12.18,;31.47,-12.95,;34.14,-12.95,;35.48,-12.18,;39.4,-11.37,;40.17,-12.7,;41.71,-12.7,;42.48,-11.36,;44.02,-11.35,;41.69,-10.02,;40.15,-10.04,)|
OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:12.20,6.9,wD:3.2,(-9.7,-28.54,;-8.37,-29.32,;-8.39,-30.86,;-7.03,-28.57,;-5.7,-29.35,;-4.35,-28.59,;-4.35,-27.05,;-5.67,-26.27,;-7.01,-27.03,;-3.01,-26.29,;-1.68,-27.07,;-1.69,-28.61,;-.34,-26.31,;.99,-27.09,;.96,-28.63,;2.29,-29.41,;3.63,-28.66,;3.64,-27.12,;2.31,-26.33,;-.33,-24.77,;.57,-23.51,;-.35,-22.26,;-1.82,-22.75,;-3.15,-21.99,;-4.48,-22.76,;-5.82,-21.99,;-4.48,-24.3,;-5.82,-25.07,;-3.15,-25.07,;-1.81,-24.3,;2.11,-23.5,;2.89,-24.83,;4.42,-24.82,;5.19,-23.48,;6.73,-23.47,;4.4,-22.15,;2.87,-22.16,)|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1 |r|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(Cl)c1 |r|
Cc1cc(ccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O |r|
OC(=O)C1(CC1)Oc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3F)-c3nnn[nH]3)c2cc1F |r|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3ccccc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r|
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1 |r,wU:17.18,27.29,wD:30.36,(11.8,-19.09,;11.04,-17.76,;9.49,-17.74,;8.72,-19.08,;7.17,-19.07,;6.42,-17.75,;4.41,-17.75,;3.93,-16.28,;2.39,-16.28,;1.33,-15.13,;-.15,-15.46,;-1.19,-14.32,;-.62,-16.92,;-2.12,-17.24,;.41,-18.07,;1.92,-17.75,;3.17,-18.65,;3.17,-20.21,;4.5,-20.98,;4.5,-22.52,;5.84,-23.29,;7.17,-22.52,;7.17,-20.98,;5.84,-20.21,;1.83,-20.98,;1.83,-22.52,;.5,-20.21,;-.84,-20.98,;-.84,-22.53,;-2.16,-23.29,;-3.47,-22.54,;-3.47,-21,;-2.17,-20.21,;-4.83,-23.32,;-6.17,-22.55,;-4.83,-24.88,;7.19,-16.41,;6.42,-15.07,;7.12,-13.7,;8.73,-16.41,)|
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1
CC(C)(C)Cc1cnc([nH]1)C(C)(O)Cc1ccc(cc1)-c1ccc(F)cn1
CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1
O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r|
OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r|
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r|
C[C@@H](C[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r|
C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r|
CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1
COc1ccc(nc1)[C@@H](C)NC(=O)Cc1ccc(cc1)C(C)(C)C |r|
C[C@H](c1ccc(cn1)OCC(F)(F)F)NC(=O)Cc2ccc(cc2)C3CC3
Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1
CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r|
c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N
CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r|
NCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1 |r|
NCC[C@@H](Oc1nc(ccc1C#N)C(F)(F)F)c1ccno1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(Cc2ccc(OC)c(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCCc2ccc(OC)c(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2cccc(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@H](C2)c2ccc(OC)cc2)cc1 |r|
COc1ccc(cc1)[C@H]1CN(CCC2CCOCC2)C[C@@H]1CNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCCC2CCOCC2)C[C@@H]1CNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCCC2CCNCC2)C[C@@H]1CNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CC(=O)N(C)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CC(=O)NCc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CCNC(=O)c1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1Cc1nc2ccc(Cl)cc2[nH]1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CCc1nc2ccc(Cl)cc2[nH]1 |r|
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CCc1cc2ccc(Cl)cc2[nH]1 |r|
COc1ccc(cc1)[C@H]1CN(CCCC2CCOCC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCC2CCOCC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCC2CCS(=O)(=O)CC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCC2(O)CCOCC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCCN(C)S(C)(=O)=O)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCCN(C)S(=O)(=O)c2ccccc2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
COc1ccc(cc1)[C@H]1CN(CCCN2CCCC2=O)C[C@@H]1CC(=O)Nc1cccc(Cl)c1 |r|
CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Cl)cc2)CC1
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(CC#N)CC2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCN(C)C)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCCNS(C)(=O)=O)c1 |r|
CCNC(=O)NCCCOc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC(C)(C)O)c1 |r|
CCOC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(=O)OCC(=O)N(C)C)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(=O)OCOC(=O)C(C)(C)C)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CN(CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C(=O)OCc2oc(=O)oc2C)cc(OC[C@H]2C[C@@H]2C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(CC(O)=O)CC2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC(C)(C)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCC(C)(C)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCCC(C)(C)C(O)=O)c1 |r|
CCC(CC)(CCOc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1)C(O)=O |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCC2(CCCC2)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC[C@](C)(OC)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(=O)NS(C)(=O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(Cc3nnn[nH]3)CC2)c1 |r|
CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
C(c1ccccc1)c1ncc2CCNCCc2n1
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)c3ncc(CC(F)(F)F)n3C2)c1F |r|
Cc1cccc(Nc2ccc(cc2)-c2ccc(nc2)N2CCNCC2)n1
Fc1cc(OCCCC2CC2CCCC2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
Cc1cc(nc(n1)C#N)N1CCC(CC1)C1CCN(CC1)c1ncc(Cl)cn1
Cc1cnc(nc1)N1CCC(CC1)C1CCN(CC1)c1cc(nc(C)n1)C#N
Cc1cnc(cn1)N1CCC(CC1)C1CCN(CC1)c1cc(nc(C)n1)C#N
Cc1cnc(cn1)N1CCC(CC1)C1CCN(CC1)c1cc(C)nc(n1)C#N
Fc1cc(OCC2CC2C2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
Fc1cc(OCCC2CC2C2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
Fc1cc(OCC2CC2CC2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cc1)-n1ccnn1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cn1)-n1ccnn1 |r|
Cc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1nc(C)cc(n1)C#N |r|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,25.31,(-7.37,5.12,;-8.14,3.79,;-9.68,3.79,;-7.37,2.45,;-8.14,1.12,;-7.37,-.22,;-5.83,-.21,;-5.07,1.12,;-3.56,1.44,;-3.41,2.97,;-4.81,3.6,;-5.84,2.45,;-2.07,3.74,;-.74,2.97,;.6,3.74,;.59,5.29,;-.74,6.05,;-2.07,5.28,;1.92,6.06,;1.92,7.61,;3.26,5.3,;3.27,3.76,;4.6,2.99,;5.92,3.77,;7.26,3,;7.26,1.46,;5.93,.69,;4.6,1.45,;8.6,.69,;8.59,-.85,;9.92,-1.62,;11.26,-.85,;11.25,.7,;9.92,1.46,;12.59,-1.62,;12.59,-3.16,;13.92,-.85,;13.91,-2.39,;-8.13,-1.56,;-8.89,-2.89,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,wD:25.31,(19.49,4.45,;18.72,3.12,;17.18,3.12,;19.49,1.79,;18.72,.45,;19.5,-.88,;21.03,-.88,;21.8,.45,;23.3,.77,;23.46,2.3,;22.06,2.93,;21.03,1.78,;24.79,3.07,;26.13,2.3,;27.46,3.07,;27.46,4.62,;26.12,5.38,;24.79,4.61,;28.79,5.39,;28.78,6.93,;30.12,4.63,;30.13,3.09,;31.47,2.32,;32.79,3.1,;34.12,2.33,;34.13,.79,;32.79,.02,;31.46,.78,;35.46,.02,;35.45,-1.52,;36.79,-2.29,;38.12,-1.52,;38.12,.03,;36.78,.79,;39.46,-2.29,;39.46,-3.83,;40.79,-1.51,;40.78,-3.06,;18.74,-2.23,;17.97,-3.56,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(F)(F)F)C#N |r,wU:22.24,25.31,(-7.64,-4.05,;-8.41,-5.38,;-9.95,-5.38,;-7.64,-6.72,;-8.41,-8.05,;-7.63,-9.39,;-6.1,-9.38,;-5.33,-8.05,;-3.83,-7.73,;-3.67,-6.2,;-5.07,-5.57,;-6.1,-6.72,;-2.34,-5.43,;-1,-6.2,;.33,-5.43,;.33,-3.88,;-1.01,-3.12,;-2.34,-3.89,;1.66,-3.11,;1.65,-1.57,;3,-3.87,;3,-5.41,;4.34,-6.18,;5.66,-5.4,;7,-6.17,;7,-7.71,;5.66,-8.48,;4.33,-7.72,;8.33,-8.48,;8.32,-10.02,;9.66,-10.79,;10.99,-10.02,;10.99,-8.47,;9.65,-7.71,;12.33,-10.79,;12.33,-12.33,;13.66,-10.02,;13.65,-11.56,;-8.39,-10.73,;-9.16,-12.06,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(20.13,-4.03,;19.36,-5.36,;17.82,-5.36,;20.13,-6.69,;19.36,-8.03,;20.14,-9.36,;21.67,-9.36,;22.43,-8.03,;23.94,-7.71,;24.09,-6.18,;22.7,-5.55,;21.67,-6.69,;25.43,-5.41,;26.76,-6.18,;28.1,-5.41,;28.09,-3.86,;26.76,-3.09,;25.43,-3.87,;29.43,-3.08,;29.42,-1.54,;30.76,-3.85,;30.77,-5.39,;32.1,-6.15,;33.43,-5.38,;34.76,-6.15,;34.76,-7.69,;33.43,-8.46,;32.1,-7.69,;36.1,-8.46,;36.09,-10,;37.42,-10.77,;38.76,-10,;38.75,-8.45,;37.42,-7.69,;40.09,-10.76,;40.1,-12.3,;41.43,-9.99,;41.42,-11.53,;19.37,-10.7,;18.61,-12.04,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(c1)C(F)(F)F)C#N |r,wU:22.24,25.31,(-8.51,-12.13,;-9.28,-13.46,;-10.82,-13.46,;-8.51,-14.8,;-9.28,-16.13,;-8.5,-17.47,;-6.97,-17.46,;-6.2,-16.13,;-4.7,-15.81,;-4.54,-14.28,;-5.94,-13.65,;-6.97,-14.8,;-3.21,-13.51,;-1.87,-14.29,;-.54,-13.51,;-.54,-11.96,;-1.88,-11.2,;-3.21,-11.97,;.79,-11.19,;.78,-9.65,;2.12,-11.95,;2.13,-13.49,;3.47,-14.26,;4.79,-13.48,;6.12,-14.25,;6.13,-15.79,;4.79,-16.56,;3.46,-15.8,;7.46,-16.56,;7.45,-18.1,;8.79,-18.87,;10.12,-18.1,;10.12,-16.55,;8.78,-15.79,;11.45,-15.78,;12.78,-16.54,;11.44,-14.24,;12.53,-14.68,;-9.26,-18.81,;-10.03,-20.14,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(c1)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(20.88,-12.64,;20.11,-13.97,;18.57,-13.97,;20.88,-15.3,;20.11,-16.64,;20.88,-17.97,;22.42,-17.97,;23.18,-16.64,;24.69,-16.32,;24.84,-14.79,;23.44,-14.16,;22.41,-15.3,;26.18,-14.02,;27.51,-14.79,;28.85,-14.02,;28.84,-12.47,;27.51,-11.7,;26.18,-12.48,;30.17,-11.69,;30.17,-10.15,;31.51,-12.46,;31.51,-14,;32.85,-14.76,;34.17,-13.99,;35.51,-14.76,;35.51,-16.3,;34.18,-17.07,;32.85,-16.3,;36.85,-17.07,;36.84,-18.61,;38.17,-19.38,;39.51,-18.61,;39.5,-17.06,;38.17,-16.3,;40.83,-16.28,;42.17,-17.05,;40.83,-14.74,;41.91,-15.18,;20.12,-19.31,;19.36,-20.65,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(C)c1)C#N |r,wU:22.24,25.31,(-7.19,-20.68,;-7.96,-22.01,;-9.5,-22.01,;-7.19,-23.34,;-7.96,-24.68,;-7.18,-26.01,;-5.64,-26.01,;-4.88,-24.68,;-3.37,-24.36,;-3.22,-22.83,;-4.62,-22.2,;-5.65,-23.35,;-1.89,-22.06,;-.55,-22.83,;.78,-22.06,;.78,-20.51,;-.56,-19.75,;-1.88,-20.52,;2.11,-19.74,;2.1,-18.2,;3.45,-20.5,;3.45,-22.04,;4.79,-22.81,;6.11,-22.03,;7.45,-22.8,;7.45,-24.34,;6.11,-25.11,;4.78,-24.35,;8.78,-25.11,;8.78,-26.65,;10.11,-27.42,;11.44,-26.65,;11.44,-25.1,;12.77,-24.33,;10.11,-24.34,;-7.94,-27.36,;-8.71,-28.69,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(C)c1)C#N |r,wU:22.24,wD:25.31,(21.89,-21.76,;21.12,-23.09,;19.58,-23.09,;21.89,-24.43,;21.12,-25.76,;21.89,-27.1,;23.43,-27.09,;24.19,-25.76,;25.7,-25.44,;25.85,-23.91,;24.45,-23.28,;23.42,-24.43,;27.19,-23.14,;28.52,-23.91,;29.86,-23.14,;29.85,-21.59,;28.52,-20.83,;27.19,-21.6,;31.18,-20.82,;31.18,-19.28,;32.52,-21.58,;32.53,-23.12,;33.86,-23.89,;35.18,-23.11,;36.52,-23.88,;36.52,-25.42,;35.19,-26.19,;33.86,-25.43,;37.86,-26.19,;37.85,-27.73,;39.18,-28.5,;40.52,-27.73,;40.51,-26.18,;41.84,-25.41,;39.18,-25.42,;21.13,-28.44,;20.37,-29.77,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N |r,wU:22.24,25.31,(-6.91,-30.32,;-7.68,-31.66,;-9.22,-31.66,;-6.91,-32.99,;-7.68,-34.32,;-6.9,-35.66,;-5.36,-35.65,;-4.6,-34.32,;-3.09,-34.01,;-2.94,-32.48,;-4.34,-31.85,;-5.37,-32.99,;-1.61,-31.71,;-.27,-32.48,;1.06,-31.71,;1.06,-30.16,;-.28,-29.39,;-1.6,-30.16,;2.39,-29.38,;2.38,-27.84,;3.73,-30.15,;3.73,-31.69,;5.07,-32.45,;6.39,-31.67,;7.73,-32.45,;7.73,-33.99,;6.39,-34.76,;5.06,-33.99,;9.06,-34.76,;10.39,-33.98,;11.72,-34.75,;11.72,-36.29,;10.39,-37.06,;9.06,-36.29,;10.39,-38.6,;9.05,-39.37,;11.72,-39.37,;10.38,-40.14,;13.05,-33.97,;14.39,-34.74,;13.04,-32.43,;14.13,-32.87,;-7.66,-37,;-8.43,-38.34,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(22.07,-31.51,;21.3,-32.85,;19.76,-32.85,;22.07,-34.18,;21.3,-35.51,;22.08,-36.85,;23.62,-36.84,;24.38,-35.51,;25.89,-35.2,;26.04,-33.67,;24.64,-33.04,;23.61,-34.18,;27.37,-32.9,;28.71,-33.67,;30.04,-32.9,;30.04,-31.35,;28.7,-30.58,;27.38,-31.35,;31.37,-30.57,;31.36,-29.03,;32.71,-31.34,;32.71,-32.88,;34.05,-33.64,;35.37,-32.86,;36.71,-33.64,;36.71,-35.18,;35.37,-35.95,;34.04,-35.18,;38.04,-35.95,;39.37,-35.17,;40.7,-35.94,;40.7,-37.48,;39.37,-38.25,;38.04,-37.48,;39.37,-39.79,;38.03,-40.56,;40.7,-40.56,;39.36,-41.33,;42.03,-35.16,;43.37,-35.93,;42.02,-33.62,;43.11,-34.06,;21.32,-38.19,;20.55,-39.53,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(Cl)cc1)C#N |r,wU:22.24,wD:25.31,(9.15,-44.24,;8.38,-45.58,;6.84,-45.58,;9.15,-46.91,;8.38,-48.24,;9.15,-49.58,;10.69,-49.57,;11.45,-48.25,;12.96,-47.93,;13.11,-46.4,;11.71,-45.77,;10.68,-46.91,;14.45,-45.63,;15.78,-46.4,;17.12,-45.63,;17.11,-44.08,;15.78,-43.31,;14.45,-44.08,;18.44,-43.3,;18.44,-41.76,;19.78,-44.07,;19.79,-45.61,;21.12,-46.37,;22.44,-45.59,;23.78,-46.37,;23.78,-47.91,;22.45,-48.68,;21.12,-47.91,;25.12,-48.68,;25.11,-50.22,;26.44,-50.99,;27.78,-50.22,;29.11,-50.98,;27.77,-48.67,;26.44,-47.9,;8.39,-50.92,;7.63,-52.26,)|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(Cl)cn1)C#N
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)C(C)=C)C#N
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1C#N)C#N
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1C(N)=O)C#N
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccc(C)s1)C#N
CC(C)Oc1ccc(C)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O |r|
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O |r|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r|
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r|
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc3OCOc3c2)c1
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2c(C)noc2C)c1
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cncnc2)c1
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1 |r|
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
C[C@@H]1CNc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN1 |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCNC1=O |r|
COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1
COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1
COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1
COc1cc(F)ccc1-c1cncc(CNC(C)C)c1
COc1cc(F)ccc1-c1cncc(c1)C1CCCN1
COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1
COc1cc(F)ccc1-c1cncc(NC2CCCOC2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1
CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N
CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Cc1c2CCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CCCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3CCOC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
CC(=O)N1CCN2CCCc3c(C)c4c(CC(C)(C)CC4=O)n3-c3ccc(C(N)=O)c(NC[C@H]2C1)c3 |r|
Cc1c2CCCN3CC[C@@H](C3)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1c2CCCN3C[C@@H](F)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN2CCCC[C@H]12 |r|
Cc1c2CCCN3CCC[C@@H](C3)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2c(C)noc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r|
CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(c1)C(F)F |r,c:3|
COn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cncc(c1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1ccnc(c1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cncc(n1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1ccnc(n1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ncn1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nncc(n1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nc(cs1)C(F)(F)F |r|
CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
CCC1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1O)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
CC(C)[C@@]1(CC[C@H](C1)NC1C2CCCC1COC2)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
CC(C)[C@@]1(CC[C@H](C1)N1CCC2COCCC12)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1c[nH]c2cccc(F)c12)C1CC1 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccccc2)c2cccc(F)c12)C1CC1 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccc(F)cc2)c2cccc(F)c12)C1CC1 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccncc2)c2cccc(F)c12)C1CC1 |r|
COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COCCCc1cc(Cl)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCC#N)cc(Cl)c1Cl)C1CC1 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCC#N)cc(Cl)c1Cl)C1CC1 |r|
CC(=O)NCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COC(=O)NCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccccc2)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cccnc2)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(OCCOC)c1 |r|
CCn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCOC)cc(OCCOC)c1)C1CC1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c(C)c2C)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3cc(Cl)ccc23)cc(OCCOC)c1 |r|
COCCNc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COCCCc1cc(Br)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(Br)c1C |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(c1)-c1ccccc1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc2c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc2n1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ncccc2c1 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2c(F)cccc12 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2c(Cl)cccc12 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r|
COCCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2c(Br)cccc12 |r|
Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccnc2)c2cccc(F)c12)C1CC1 |r|
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1
Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)CN)-c2ccc(F)cc2)cc1
Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)C(C)(C)N)-c2ccc(F)cc2)cc1
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)cc1)-c1ccc(F)cc1
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
OC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C#N)c2ccccn2c1=O
OC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O
Cc1n(nc2c(nnc(C)c12)N1CC[C@@H](F)C1)-c1ccc(OCC(F)(F)F)cc1 |r|
COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(Cl)cc1OC(F)(F)F
CCOc1ccc(c(F)c1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC
CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12
Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F
C[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Cc1[nH]c2ccccc2c1CC(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
CC(C)(C)OC(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
CC(C)(C)C(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)C1CC1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)C1CCCC1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)C1CCCCC1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)c1cccc(c1)C(F)(F)F
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)c1cccnc1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)Cc1ccccc1
CS(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
CCCCS(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)C1CC1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)Cc1ccccc1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1ccccc1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1cccs1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1ccncc1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1cccnc1
Cn1cnc(c1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
Cc1ccc(cc1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
Cc1cccc(c1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
Cc1ccccc1S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
COc1cccc(c1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)Cc2c1
ONC(=O)\C=C\c1ccc2CN(CCC3CCCCC3)Cc2c1
ONC(=O)\C=C\c1ccc2CN(CCc3c[nH]c4ccccc34)Cc2c1
ONC(=O)\C=C\c1ccc2CN(CCc3cnn4ccccc34)Cc2c1
Cc1noc(c1CCN1Cc2ccc(\C=C\C(=O)NO)cc2C1)-c1ccccc1
CN(C)CCn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1 |r,c:13|
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNC(=O)C1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCCN(CC1)C(C)=O
COc1cc(OC2CCN(CC2)C(C)=O)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
COc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
COc1cc(OC2CNC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
COC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(OC)c1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(N)=O
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)N(C)C
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)CO
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@H](C)O |r|
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@@H](C)O |r|
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)CN
CNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(OC)c1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@H](C)N |r|
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@@H](C)N |r|
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNCC1
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCOCC1
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(=O)N1CCOCC1
COc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(=O)N1CCOCC1
COc1cc(CC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(CO)CO
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2CNCC(C1)O2
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2CN(CCO)CC(C1)O2
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2COCC(C1)N2
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNCC1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CCO)CC1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC(=O)N(C)C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CCS(C)(=O)=O)CC1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)S(C)(=O)=O
COc1cc(OC2CN(C2)C(C)=O)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCOCC1
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(C)cc2)c1C
CC(C)c1ccc(COC2CCN(CC2)c2ncnc(Nc3cccc(NC(C)=O)c3C)n2)cc1
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(cc2)C(F)(F)F)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c1C
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCc3ccccc3C2)c1
CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@]12CNC[C@H]1CCCC2 |r|
CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@H]2CCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@]12CCC[C@H]1CNC2 |r|
Clc1ccc(cc1Cl)[C@@]12CCC[C@@H]1CNC2 |r|
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1CCCC2 |r|
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
CC(C)(NC(=O)c1nn(c(c1CO)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F
CNS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:12|
CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(43.4,-32.84,;43.39,-31.3,;44.72,-30.52,;42.06,-30.53,;42.05,-28.99,;40.71,-28.23,;39.38,-29,;38.05,-28.23,;38.04,-26.69,;39.37,-25.92,;40.71,-26.68,;36.72,-25.92,;36.71,-24.39,;35.38,-23.63,;35.38,-22.09,;36.72,-21.32,;34.05,-21.31,;34.05,-19.77,;32.72,-19,;32.72,-17.46,;31.39,-16.68,;30.06,-17.46,;28.73,-16.7,;28.72,-15.15,;27.38,-14.39,;27.38,-12.85,;26.05,-15.16,;24.72,-14.4,;23.38,-15.17,;24.71,-12.86,;23.38,-13.62,;30.06,-19,;31.39,-19.77,;34.05,-24.39,;32.73,-23.62,;31.4,-24.38,;31.4,-25.92,;32.72,-26.69,;34.04,-25.93,;35.38,-26.7,)|
CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OCC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(58.23,-15.48,;58.23,-13.94,;59.57,-13.17,;56.9,-13.17,;56.9,-11.63,;55.57,-10.86,;54.23,-11.62,;52.9,-10.86,;52.91,-9.33,;54.23,-8.54,;55.57,-9.31,;51.57,-8.56,;51.56,-7.01,;50.23,-6.25,;50.22,-4.71,;51.55,-3.94,;48.88,-3.95,;48.87,-2.41,;47.54,-1.65,;47.53,-.1,;46.2,.66,;44.86,-.11,;43.53,.66,;43.53,2.2,;42.19,2.97,;42.19,4.51,;40.86,2.2,;39.52,2.96,;38.19,2.19,;36.86,2.96,;38.19,.65,;36.85,1.43,;44.87,-1.65,;46.2,-2.42,;48.9,-7.03,;47.57,-6.26,;46.24,-7.03,;46.24,-8.58,;47.57,-9.35,;48.9,-8.57,;50.24,-9.33,)|
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccccc2F)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(F)c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(F)cc2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)C(F)(F)F)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(OC(F)(F)F)c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(Br)cc(Br)c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)-n2cccn2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)-c2noc(C)n2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2noc(C)n2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccncc2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2csc3ccccc23)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc3ccsc3c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2nc3ccccc3o2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)C(C)(C)C)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc3cccnc23)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nn1
CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C
CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C
CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-c4ccco4)CC3)nc2N1
FC(F)(F)Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Brc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Clc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
COC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
[O-][N+](=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
CC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
CS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-n4cnnn4)CC3)nc2N1
CC(O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
FC(F)(F)C(=O)Nc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
OC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1
CCS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
O=C(NCC1(CCCCC1)N1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)N1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CCN(CC)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
O=C(NCC1(CCCC1)N1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CC(C)N1CCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
CCNC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
CC(C)(CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)N1CCOCC1
CN(C)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
COC(=O)c1cc(on1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |r|
COC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |r|
CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)|
CCOC(=O)c1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1
O=C(N1CCCCC1)c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1
COc1ccccc1-c1ccc(OCCCN2CCCCC2)cc1
C(COc1ccc(cc1)-c1ccc2OCOc2c1)CN1CCCCC1
C(COc1ccc(cc1)C1CCOCC1)CN1CCCCC1
C(COc1ccc(cc1)C1CCCCO1)CN1CCCCC1
C(COc1ccc(cc1)N1CCCCC1)CN1CCCCC1
C(COc1ccc(cc1)C1CCCCC1)CN1CCCCC1
C(COc1ccc(cc1)C1=CCCC1)CN1CCCCC1 |t:10|
C(COc1ccc(cc1)C1=NCCO1)CN1CCCCC1 |t:10|
C(COc1ccc(cc1)-c1cnco1)CN1CCCCC1
Cn1nccc1-c1ccc(OCCCN2CCCCC2)cc1
C(COc1ccc(cc1)-c1ncc[nH]1)CN1CCCCC1
C(COc1ccc(cc1)C1CCCO1)CN1CCCCC1
C(COc1ccc(cc1)-c1ccco1)CN1CCCCC1
C(COc1ccc(cc1)-c1cccs1)CN1CCCCC1
C[C@H]1[C@@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Nc1cnc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
C1CCN(CC1)C1CCN(CC1)c1nc2cnc(cc2s1)-c1cncnc1
CC(=O)Nc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
Nc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
O=c1ccc(c[nH]1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
Cc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
COc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
N#Cc1cncc(c1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
Fc1ncccc1-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
Fc1cc(ccn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
COc1cc(ccn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
COc1cc(ccn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Fc1cc(ccn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Fc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
Nc1cnc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
C1CCN(CC1)C1CCN(CC1)c1nc2ncc(cc2s1)-c1cncnc1
CC(=O)Nc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Nc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
O=c1ccc(c[nH]1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Cc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
COc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
N#Cc1cncc(c1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Fc1ncccc1-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Fc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Fc1ccc(cc1C#N)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
N#Cc1ccc(cc1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Clc1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
COCC1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1 |r|
COC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCCC2C)cc1
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CC1
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1C(C)COCC1C
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r|
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCOCC1 |r|
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCC1
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CC1
COCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
CCC(CO)NS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
CCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
COC(=O)N1CC(CC1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1
COC(=O)N1CC(CC1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccc(F)c1
O=C([C@@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCC1 |r|
Fc1cccc(O[C@H]2CN[C@@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r|
C(COc1ccc(cc1)-c1ccccc1)CN1CCCCC1
CC(C)N1CCN(CC1)C(=O)N1CCC(=CC1)c1ccccc1 |c:15|
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)c1ccccc1
COc1cc2CCN(Cc2cc1OC)C(=O)N1CCN(CC1)C(C)C
CC(C)N1CCN(CC1)C(=O)N1CCc2ccccc2C1
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(C)(C)C
CC(C)N1CCN(CC1)C(=O)N1CCC(Cc2ccccc2)CC1
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)OC(C)(C)C
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)N1CC2CCC(CC2)C1 |(-10.27,-12.49,;-8.93,-13.25,;-8.92,-14.79,;-7.6,-12.47,;-7.61,-10.93,;-6.29,-10.15,;-4.94,-10.9,;-4.93,-12.44,;-6.26,-13.23,;-3.62,-10.12,;-3.64,-8.58,;-2.28,-10.87,;-2.27,-12.41,;-.93,-13.16,;.4,-12.38,;.38,-10.84,;-.96,-10.08,;1.74,-13.14,;1.75,-14.68,;3.07,-12.37,;4.64,-12.83,;5.99,-11.86,;7.33,-12.56,;6.6,-11.37,;4.98,-10.51,;5.01,-9.04,;6.04,-10.28,;4.29,-11.83,)|
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)C1CCCC1
O=C(N1Cc2ccccc2C1)N1CCN(CC1)C1CCCC1
O=C(N1Cc2ccccc2C1)N1CCN(CC1)C1CC1
CC(C)N1CCN(CC1)C(=O)N1Cc2ccccc2C1
O=C(N1Cc2ccccc2C1)N1CCC[C@H]1CN1CCCC1
CC(C)N1CCN(CC1)C(=C)N(C)Cc1ccc(cc1)-c1ccccc1
CN(Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1CN1CCCC1
FC(F)(F)c1ccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)cc1
FC(F)(F)c1ccc(\C=C\C(=O)N2CCC[C@H]2CN2CCCC2)cc1 |r|
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(c2Cn2cncn2)-c2ccccc2)CC1
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
N[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1 |r,wD:4.7,1.0,(13.25,1.68,;14.34,.58,;14.34,2.12,;15.67,2.9,;17,2.12,;17,.58,;15.67,-.18,;18.34,2.88,;19.83,2.48,;20.23,3.97,;18.74,4.37,;21.56,4.73,;22.9,3.96,;22.89,2.42,;24.23,4.73,;25.56,3.95,;26.9,4.72,;26.9,6.26,;28.23,3.94,;28.22,2.41,;29.55,1.64,;30.88,2.4,;30.88,3.95,;29.55,4.72,;32.22,4.72,;33.55,3.95,;32.22,6.26,;33.55,5.5,;13.01,-.19,;13.01,-1.72,;11.69,-2.49,;10.35,-1.73,;10.34,-.18,;11.68,.58,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@](F)(CC1)c1ccccc1 |r,wD:21.22,24.26,(13.62,4.95,;12.29,5.72,;12.29,7.26,;13.62,6.49,;10.96,4.95,;10.96,3.4,;9.62,2.63,;8.29,3.4,;8.3,4.94,;9.63,5.71,;6.97,5.71,;6.98,7.25,;5.64,4.95,;4.31,5.72,;2.97,4.96,;2.96,3.42,;1.64,5.73,;.3,4.96,;-.1,3.48,;-1.59,3.88,;-1.18,5.37,;-2.93,3.12,;-4.26,3.9,;-5.58,3.12,;-5.58,1.58,;-6.68,2.68,;-4.26,.82,;-2.93,1.58,;-6.92,.81,;-6.91,-.72,;-8.24,-1.5,;-9.58,-.73,;-9.59,.82,;-8.25,1.58,)|
Cc1cccc(C)c1[C@@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wD:12.16,8.9,(45.46,-49.44,;44.13,-48.67,;42.8,-49.45,;41.46,-48.68,;41.45,-47.13,;42.79,-46.37,;42.79,-44.83,;44.12,-47.14,;45.45,-46.37,;45.45,-47.91,;45.45,-44.83,;46.78,-44.05,;48.11,-44.83,;48.11,-46.37,;46.78,-47.13,;49.45,-44.07,;50.94,-44.47,;51.34,-42.99,;49.85,-42.58,;52.68,-42.22,;54.01,-42.99,;54,-44.53,;55.34,-42.23,;56.67,-43,;58.01,-42.24,;58.01,-40.7,;59.34,-43.01,;59.33,-44.55,;60.66,-45.32,;61.99,-44.55,;61.99,-43,;60.66,-42.24,;63.33,-42.23,;64.66,-43,;63.33,-40.69,;64.66,-41.46,)|
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc2OCOc2c1 |r,wD:4.7,1.0,(20.7,-42.67,;21.79,-43.77,;21.79,-42.23,;23.12,-41.45,;24.45,-42.23,;24.45,-43.77,;23.12,-44.53,;25.79,-41.47,;27.28,-41.87,;27.68,-40.38,;26.19,-39.98,;29.02,-39.62,;30.35,-40.39,;30.34,-41.93,;31.68,-39.62,;33.01,-40.4,;34.35,-39.63,;34.35,-38.09,;35.68,-40.41,;35.67,-41.94,;37,-42.71,;38.33,-41.95,;38.33,-40.4,;37,-39.63,;39.67,-39.63,;41,-40.4,;39.67,-38.09,;41,-38.85,;20.46,-44.54,;19.13,-43.76,;17.79,-44.53,;17.8,-46.08,;16.66,-47.12,;17.29,-48.52,;18.83,-48.35,;19.14,-46.84,;20.47,-46.07,)|
COc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wD:12.16,8.9,(-11.77,-46.08,;-10.44,-46.85,;-9.11,-46.07,;-7.76,-46.84,;-6.44,-46.06,;-6.44,-44.53,;-7.78,-43.76,;-9.11,-44.52,;-5.11,-43.76,;-6.21,-42.66,;-5.11,-42.22,;-3.78,-41.44,;-2.45,-42.22,;-2.45,-43.76,;-3.78,-44.52,;-1.11,-41.46,;.37,-41.86,;.78,-40.37,;-.71,-39.97,;2.11,-39.61,;3.44,-40.38,;3.44,-41.92,;4.78,-39.62,;6.11,-40.39,;7.45,-39.62,;7.45,-38.08,;8.78,-40.4,;8.76,-41.93,;10.09,-42.71,;11.43,-41.94,;11.43,-40.39,;10.1,-39.62,;12.76,-39.62,;14.1,-40.39,;12.76,-38.08,;14.09,-38.84,)|
CN(C)c1cccc(c1)[C@@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wD:13.17,9.10,(15.2,-40.76,;16.53,-39.98,;17.86,-40.75,;16.52,-38.44,;15.18,-37.68,;15.17,-36.13,;16.51,-35.36,;17.84,-36.14,;17.84,-37.67,;19.17,-35.37,;18.08,-34.27,;19.17,-33.83,;20.5,-33.05,;21.83,-33.83,;21.83,-35.37,;20.5,-36.13,;23.17,-33.07,;24.66,-33.47,;25.06,-31.98,;23.57,-31.58,;26.39,-31.22,;27.73,-31.99,;27.72,-33.53,;29.06,-31.22,;30.39,-32,;31.73,-31.23,;31.73,-29.69,;33.06,-32.01,;33.05,-33.54,;34.38,-34.31,;35.71,-33.55,;35.71,-32,;34.38,-31.23,;37.05,-31.23,;38.38,-32,;37.05,-29.69,;38.38,-30.45,)|
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C#N |r,wD:4.7,1.0,(-7.84,-34.16,;-6.74,-35.26,;-6.74,-33.72,;-5.41,-32.94,;-4.09,-33.72,;-4.09,-35.26,;-5.41,-36.02,;-2.75,-32.96,;-1.26,-33.36,;-.86,-31.87,;-2.34,-31.47,;.48,-31.11,;1.81,-31.88,;1.81,-33.42,;3.15,-31.11,;4.48,-31.89,;5.81,-31.12,;5.82,-29.58,;7.15,-31.9,;7.13,-33.43,;8.46,-34.2,;9.8,-33.44,;9.8,-31.89,;8.47,-31.12,;11.13,-31.12,;12.46,-31.89,;11.13,-29.58,;12.46,-30.34,;-8.08,-36.03,;-9.41,-35.26,;-10.75,-36.02,;-10.74,-37.57,;-9.4,-38.33,;-8.07,-37.56,;-9.38,-39.88,;-9.38,-41.42,)|
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r,wD:4.7,1.0,(18.18,-24.52,;19.27,-25.62,;19.27,-24.08,;20.6,-23.3,;21.93,-24.08,;21.93,-25.62,;20.6,-26.38,;23.27,-23.32,;24.76,-23.72,;25.16,-22.24,;23.67,-21.83,;26.5,-21.47,;27.83,-22.24,;27.82,-23.78,;29.16,-21.48,;30.49,-22.25,;31.83,-21.49,;31.83,-19.95,;33.16,-22.26,;33.15,-23.79,;34.48,-24.57,;35.81,-23.8,;35.81,-22.25,;34.48,-21.49,;37.15,-21.48,;38.48,-22.25,;37.15,-19.94,;38.48,-20.7,;17.94,-26.39,;17.95,-27.92,;16.62,-28.7,;15.28,-27.93,;13.95,-28.71,;15.27,-26.38,;16.61,-25.62,)|
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1 |r,wD:4.7,1.0,(-9.36,-27.63,;-8.26,-28.72,;-8.26,-27.18,;-6.93,-26.41,;-5.6,-27.18,;-5.6,-28.72,;-6.93,-29.49,;-4.26,-26.42,;-2.78,-26.83,;-2.37,-25.34,;-3.86,-24.94,;-1.04,-24.57,;.29,-25.35,;.29,-26.89,;1.63,-24.58,;2.96,-25.35,;4.3,-24.59,;4.3,-23.05,;5.63,-25.36,;5.61,-26.9,;6.94,-27.67,;8.28,-26.91,;8.28,-25.36,;6.95,-24.59,;9.61,-24.59,;10.95,-25.36,;9.61,-23.05,;10.94,-23.81,;-9.59,-29.49,;-9.59,-31.03,;-10.91,-31.8,;-12.26,-31.03,;-12.27,-29.48,;-10.93,-28.72,)|
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnc1 |r,wD:4.7,1.0,(18.02,-17.13,;19.12,-18.23,;19.12,-16.69,;20.45,-15.91,;21.78,-16.69,;21.78,-18.23,;20.45,-18.99,;23.11,-15.93,;24.6,-16.33,;25,-14.85,;23.52,-14.44,;26.34,-14.08,;27.67,-14.85,;27.67,-16.39,;29.01,-14.09,;30.34,-14.86,;31.67,-14.1,;31.68,-12.56,;33.01,-14.87,;32.99,-16.41,;34.32,-17.18,;35.66,-16.41,;35.66,-14.86,;34.33,-14.1,;36.99,-14.09,;38.33,-14.86,;36.99,-12.55,;38.32,-13.32,;17.79,-19,;16.45,-18.23,;15.11,-18.99,;15.12,-20.54,;16.46,-21.31,;17.79,-20.53,)|
Nc1ccc(nc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:7.7,wD:10.14,(10.98,-48.4,;12.31,-47.62,;13.65,-48.39,;14.97,-47.62,;14.97,-46.08,;13.64,-45.31,;12.3,-46.07,;16.3,-45.31,;16.3,-43.77,;17.63,-43,;18.96,-43.77,;18.96,-45.31,;17.63,-46.08,;20.3,-43.01,;21.79,-43.42,;22.19,-41.93,;20.7,-41.53,;23.52,-41.16,;24.86,-41.94,;24.85,-43.48,;26.19,-41.17,;27.52,-41.94,;28.86,-41.18,;28.86,-39.64,;30.19,-41.95,;30.18,-43.49,;31.51,-44.26,;32.84,-43.5,;32.84,-41.95,;31.51,-41.18,;34.18,-41.18,;35.51,-41.95,;34.18,-39.64,;35.51,-40.4,)|
Nc1cccnc1[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:7.7,wD:10.14,(-5.78,-48.09,;-7.11,-47.33,;-8.44,-48.1,;-9.78,-47.34,;-9.79,-45.79,;-8.45,-45.02,;-7.12,-45.8,;-5.79,-45.03,;-5.79,-43.49,;-4.46,-42.71,;-3.13,-43.49,;-3.13,-45.03,;-4.46,-45.79,;-1.79,-42.73,;-.3,-43.13,;.1,-41.64,;-1.39,-41.24,;1.44,-40.88,;2.77,-41.65,;2.76,-43.19,;4.1,-40.88,;5.43,-41.66,;6.77,-40.89,;6.77,-39.35,;8.1,-41.67,;8.09,-43.2,;9.42,-43.97,;10.75,-43.21,;10.75,-41.66,;9.42,-40.89,;12.09,-40.89,;13.42,-41.66,;12.09,-39.35,;13.42,-40.11,)|
Oc1cnccc1[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:7.7,wD:10.14,(16.43,-33.33,;16.42,-34.87,;15.08,-35.63,;15.09,-37.18,;16.43,-37.95,;17.76,-37.17,;17.75,-35.64,;19.09,-34.87,;19.09,-33.33,;20.42,-32.55,;21.74,-33.33,;21.74,-34.87,;20.42,-35.63,;23.08,-32.57,;24.57,-32.97,;24.97,-31.48,;23.49,-31.08,;26.31,-30.72,;27.64,-31.49,;27.64,-33.03,;28.98,-30.73,;30.31,-31.5,;31.64,-30.73,;31.65,-29.19,;32.98,-31.51,;32.96,-33.04,;34.29,-33.82,;35.63,-33.05,;35.63,-31.5,;34.3,-30.73,;36.96,-30.73,;38.29,-31.5,;36.96,-29.19,;38.29,-29.95,)|
Oc1ccc(nc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:7.7,wD:10.14,(-11.29,-40.7,;-9.96,-39.92,;-8.62,-40.69,;-7.29,-39.92,;-7.3,-38.38,;-8.63,-37.61,;-9.97,-38.37,;-5.97,-37.61,;-5.97,-36.07,;-4.64,-35.3,;-3.31,-36.07,;-3.31,-37.61,;-4.64,-38.38,;-1.97,-35.31,;-.48,-35.72,;-.08,-34.23,;-1.57,-33.83,;1.26,-33.46,;2.59,-34.24,;2.58,-35.78,;3.92,-33.47,;5.26,-34.24,;6.59,-33.48,;6.6,-31.94,;7.92,-34.25,;7.91,-35.79,;9.24,-36.56,;10.58,-35.8,;10.58,-34.25,;9.24,-33.48,;11.91,-33.48,;13.24,-34.25,;11.91,-31.94,;13.24,-32.7,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1cnccn1 |r,wU:24.29,wD:21.22,(12.97,-24.1,;11.64,-23.33,;11.64,-21.79,;12.97,-22.56,;10.3,-24.1,;10.3,-25.65,;8.97,-26.42,;7.64,-25.65,;7.65,-24.11,;8.97,-23.34,;6.32,-23.34,;6.32,-21.8,;4.98,-24.1,;3.65,-23.33,;2.32,-24.09,;2.31,-25.63,;.98,-23.32,;-.35,-24.09,;-.75,-25.57,;-2.24,-25.17,;-1.84,-23.68,;-3.58,-25.93,;-4.91,-25.15,;-6.24,-25.93,;-6.24,-27.47,;-4.91,-28.23,;-3.58,-27.47,;-7.57,-28.24,;-7.57,-29.77,;-8.89,-30.55,;-10.23,-29.78,;-10.24,-28.23,;-8.9,-27.47,)|
COc1cnccc1[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:8.8,wD:11.15,(-6.76,-16.65,;-8.1,-17.41,;-8.1,-18.95,;-9.44,-19.72,;-9.43,-21.27,;-8.09,-22.03,;-6.76,-21.26,;-6.77,-19.73,;-5.44,-18.95,;-5.44,-17.41,;-4.11,-16.64,;-2.78,-17.41,;-2.78,-18.95,;-4.11,-19.72,;-1.44,-16.65,;.05,-17.06,;.45,-15.57,;-1.04,-15.17,;1.79,-14.8,;3.12,-15.58,;3.11,-17.12,;4.45,-14.81,;5.78,-15.59,;7.12,-14.82,;7.12,-13.28,;8.45,-15.59,;8.44,-17.13,;9.77,-17.9,;11.1,-17.14,;11.1,-15.59,;9.77,-14.82,;12.44,-14.82,;13.77,-15.59,;12.44,-13.28,;13.77,-14.04,)|
COc1ccc(cn1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:8.8,wD:11.15,(10.22,-11.72,;11.56,-12.48,;12.89,-11.71,;12.88,-10.16,;14.22,-9.39,;15.55,-10.17,;15.56,-11.7,;14.23,-12.47,;16.89,-9.4,;16.89,-7.86,;18.21,-7.08,;19.54,-7.86,;19.54,-9.4,;18.21,-10.16,;20.88,-7.1,;22.37,-7.5,;22.77,-6.01,;21.29,-5.61,;24.11,-5.25,;25.44,-6.02,;25.43,-7.56,;26.78,-5.25,;28.11,-6.03,;29.44,-5.26,;29.45,-3.72,;30.77,-6.04,;30.76,-7.57,;32.09,-8.34,;33.43,-7.58,;33.43,-6.03,;32.1,-5.26,;34.76,-5.26,;36.09,-6.03,;34.76,-3.72,;36.09,-4.48,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1cccnc1 |r,wU:24.29,wD:21.22,(14.18,-6.67,;12.85,-5.9,;12.85,-4.36,;14.18,-5.13,;11.52,-6.67,;11.52,-8.22,;10.18,-8.99,;8.85,-8.22,;8.86,-6.68,;10.19,-5.91,;7.53,-5.91,;7.54,-4.37,;6.2,-6.67,;4.87,-5.9,;3.53,-6.66,;3.52,-8.2,;2.2,-5.89,;.86,-6.66,;.46,-8.14,;-1.03,-7.74,;-.62,-6.25,;-2.37,-8.5,;-3.7,-7.72,;-5.02,-8.5,;-5.02,-10.04,;-3.7,-10.8,;-2.37,-10.04,;-6.36,-10.81,;-7.69,-10.04,;-9.03,-10.8,;-9.02,-12.35,;-7.68,-13.12,;-6.35,-12.34,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2nc[nH]c2c1 |r,wU:24.29,wD:21.22,(37.55,4.46,;36.21,5.23,;36.21,6.77,;37.54,6,;34.88,4.46,;34.88,2.91,;33.54,2.14,;32.21,2.91,;32.23,4.45,;33.55,5.22,;30.9,5.22,;30.9,6.76,;29.56,4.46,;28.23,5.23,;26.89,4.47,;26.89,2.93,;25.56,5.24,;24.23,4.47,;23.82,2.99,;22.34,3.39,;22.74,4.88,;21,2.63,;19.67,3.41,;18.34,2.63,;18.34,1.09,;19.67,.33,;21,1.09,;17.01,.32,;17.01,-1.21,;15.69,-1.99,;14.34,-1.22,;12.87,-1.71,;11.95,-.46,;12.86,.8,;14.34,.33,;15.67,1.09,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCCC1 |r,wU:24.29,wD:21.22,(17.01,5.96,;15.68,6.73,;15.68,8.27,;17.01,7.51,;14.35,5.96,;14.35,4.41,;13.01,3.64,;11.68,4.42,;11.7,5.95,;13.02,6.72,;10.36,6.72,;10.37,8.27,;9.03,5.96,;7.7,6.73,;6.36,5.97,;6.36,4.43,;5.03,6.74,;3.69,5.97,;3.29,4.49,;1.8,4.89,;2.21,6.38,;.46,4.13,;-.86,4.91,;-2.19,4.13,;-2.19,2.59,;-.86,1.83,;.46,2.59,;-3.53,1.82,;-4.86,2.59,;-6.2,1.83,;-6.19,.28,;-4.85,-.49,;-3.52,.29,;-7.53,-.49,;-8.93,.13,;-9.96,-1.02,;-9.18,-2.35,;-7.68,-2.02,)|
OC(=O)c1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:9.9,wD:12.16,(14.46,-48.36,;15.8,-49.12,;15.8,-50.66,;17.13,-48.35,;17.12,-46.8,;18.46,-46.04,;19.79,-46.81,;19.8,-48.34,;18.47,-49.11,;21.12,-46.04,;21.12,-44.5,;22.45,-43.72,;23.78,-44.5,;23.78,-46.04,;22.45,-46.8,;25.12,-43.74,;26.61,-44.14,;27.01,-42.65,;25.52,-42.25,;28.35,-41.89,;29.68,-42.66,;29.67,-44.2,;31.01,-41.89,;32.35,-42.67,;33.68,-41.9,;33.69,-40.36,;35.01,-42.68,;35,-44.21,;36.33,-44.98,;37.67,-44.22,;37.67,-42.67,;36.33,-41.9,;39,-41.9,;40.33,-42.67,;39,-40.36,;40.33,-41.12,)|
COC(=O)c1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:10.10,wD:13.17,(-13.75,-48.63,;-13.75,-50.17,;-12.41,-50.93,;-12.4,-52.47,;-11.07,-50.16,;-11.08,-48.61,;-9.74,-47.85,;-8.41,-48.62,;-8.41,-50.15,;-9.73,-50.93,;-7.08,-47.85,;-7.08,-46.31,;-5.75,-45.53,;-4.42,-46.31,;-4.42,-47.85,;-5.75,-48.61,;-3.08,-45.55,;-1.59,-45.95,;-1.19,-44.46,;-2.68,-44.06,;.14,-43.7,;1.48,-44.47,;1.47,-46.01,;2.81,-43.71,;4.14,-44.48,;5.48,-43.71,;5.48,-42.17,;6.81,-44.49,;6.8,-46.02,;8.13,-46.8,;9.46,-46.03,;9.46,-44.48,;8.13,-43.72,;10.8,-43.71,;12.13,-44.48,;10.8,-42.17,;12.13,-42.93,)|
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:7.7,wD:10.14,(12.86,-42.14,;14.19,-41.36,;15.53,-42.13,;16.86,-41.36,;16.85,-39.82,;15.52,-39.05,;14.18,-39.81,;18.18,-39.05,;18.18,-37.51,;19.51,-36.73,;20.84,-37.51,;20.84,-39.05,;19.51,-39.81,;22.18,-36.75,;23.67,-37.15,;24.07,-35.67,;22.58,-35.27,;25.41,-34.9,;26.74,-35.68,;26.73,-37.22,;28.07,-34.91,;29.41,-35.68,;30.74,-34.92,;30.75,-33.38,;32.07,-35.69,;32.06,-37.23,;33.39,-38,;34.73,-37.23,;34.73,-35.69,;33.39,-34.92,;36.06,-34.92,;37.39,-35.68,;36.06,-33.38,;37.39,-34.14,)|
COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:8.8,wD:11.15,(-11.84,-42.24,;-10.51,-43.01,;-9.18,-42.23,;-7.83,-43,;-6.51,-42.23,;-6.51,-40.69,;-7.85,-39.92,;-9.18,-40.68,;-5.18,-39.92,;-5.18,-38.38,;-3.85,-37.61,;-2.52,-38.38,;-2.52,-39.92,;-3.85,-40.69,;-1.18,-37.62,;.3,-38.03,;.71,-36.54,;-.78,-36.14,;2.04,-35.77,;3.37,-36.55,;3.37,-38.09,;4.71,-35.78,;6.04,-36.55,;7.38,-35.79,;7.38,-34.25,;8.71,-36.56,;8.69,-38.1,;10.02,-38.87,;11.36,-38.11,;11.36,-36.56,;10.03,-35.79,;12.69,-35.79,;14.03,-36.56,;12.69,-34.25,;14.02,-35.01,)|
FC(F)(F)c1ccc(cc1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2OCOc2c1 |r,wU:24.29,wD:21.22,(33.58,-29.8,;33.58,-28.26,;34.92,-27.49,;34.91,-29.03,;32.25,-27.49,;30.91,-28.25,;29.58,-27.48,;29.6,-25.95,;30.92,-25.17,;32.25,-25.94,;28.27,-25.17,;28.27,-23.63,;26.93,-25.94,;25.6,-25.16,;24.26,-25.93,;24.26,-27.47,;22.93,-25.16,;21.6,-25.92,;21.19,-27.41,;19.71,-27.01,;20.11,-25.52,;18.37,-27.77,;17.04,-26.99,;15.71,-27.77,;15.71,-29.31,;17.04,-30.07,;18.37,-29.31,;14.38,-30.08,;14.38,-31.61,;13.06,-32.38,;11.71,-31.62,;10.24,-32.1,;9.33,-30.85,;10.23,-29.6,;11.71,-30.07,;13.05,-29.31,)|
O=C(CNC(=O)c1ccccc1)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2OCOc2c1 |r,wU:20.25,wD:17.18,(3.49,-27.07,;3.5,-25.53,;4.83,-24.77,;6.17,-25.54,;7.5,-24.78,;7.51,-23.24,;8.83,-25.55,;8.82,-27.08,;10.15,-27.86,;11.49,-27.09,;11.49,-25.54,;10.15,-24.78,;2.17,-24.76,;.83,-25.53,;.43,-27.01,;-1.06,-26.61,;-.66,-25.12,;-2.4,-27.37,;-3.73,-26.59,;-5.06,-27.37,;-5.06,-28.91,;-3.73,-29.67,;-2.4,-28.91,;-6.39,-29.68,;-6.38,-31.21,;-7.71,-31.99,;-9.05,-31.22,;-10.52,-31.71,;-11.44,-30.46,;-10.53,-29.2,;-9.06,-29.67,;-7.72,-28.91,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:24.29,wD:21.22,(36.3,-16.68,;34.96,-15.91,;34.96,-14.37,;36.29,-15.14,;33.63,-16.68,;33.63,-18.23,;32.29,-19,;30.96,-18.23,;30.98,-16.69,;32.3,-15.92,;29.64,-15.92,;29.65,-14.38,;28.31,-16.68,;26.98,-15.91,;25.64,-16.67,;25.64,-18.21,;24.31,-15.9,;22.97,-16.67,;22.57,-18.15,;21.08,-17.75,;21.49,-16.26,;19.75,-18.51,;18.42,-17.73,;17.09,-18.51,;17.09,-20.05,;18.42,-20.81,;19.75,-20.05,;15.76,-20.82,;15.76,-22.35,;14.43,-23.13,;13.09,-22.36,;13.08,-20.81,;14.42,-20.05,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@H](CC1)c1ccc2OCOc2c1 |r,wU:21.22,24.29,(36.71,2.26,;35.37,3.03,;35.37,4.57,;36.7,3.81,;34.04,2.26,;34.04,.71,;32.7,-.05,;31.37,.72,;31.39,2.26,;32.71,3.03,;30.06,3.03,;30.06,4.57,;28.72,2.26,;27.39,3.04,;26.05,2.27,;26.05,.73,;24.72,3.05,;23.39,2.28,;22.98,.79,;21.5,1.2,;21.9,2.68,;20.16,.44,;20.16,-1.1,;18.83,-1.87,;17.5,-1.1,;17.5,.44,;18.83,1.21,;16.17,-1.88,;16.17,-3.41,;14.85,-4.18,;13.5,-3.41,;12.03,-3.9,;11.12,-2.65,;12.02,-1.39,;13.5,-1.87,;14.83,-1.1,)|
CN(C)c1ncc(cn1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:9.9,wD:12.16,(8.7,-29.27,;10.04,-30.03,;10.04,-31.57,;11.37,-29.25,;11.36,-27.7,;12.7,-26.94,;14.03,-27.71,;14.03,-29.25,;12.71,-30.02,;15.36,-26.94,;15.36,-25.4,;16.69,-24.62,;18.02,-25.4,;18.02,-26.94,;16.69,-27.7,;19.36,-24.64,;20.84,-25.04,;21.25,-23.56,;19.76,-23.16,;22.58,-22.79,;23.91,-23.57,;23.91,-25.11,;25.25,-22.8,;26.58,-23.57,;27.92,-22.81,;27.92,-21.27,;29.25,-23.58,;29.23,-25.12,;30.56,-25.89,;31.9,-25.12,;31.9,-23.58,;30.57,-22.81,;33.24,-22.81,;34.57,-23.57,;33.23,-21.27,;34.56,-22.03,)|
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc2CCOc2c1 |r,wD:4.7,1.0,(45,-44.46,;46.1,-45.55,;46.1,-44.01,;47.43,-43.24,;48.76,-44.01,;48.76,-45.55,;47.43,-46.32,;50.1,-43.25,;51.58,-43.66,;51.99,-42.17,;50.5,-41.77,;53.32,-41.4,;54.65,-42.18,;54.65,-43.72,;55.99,-41.41,;57.32,-42.19,;58.66,-41.42,;58.66,-39.88,;59.99,-42.19,;59.97,-43.73,;61.3,-44.5,;62.64,-43.74,;62.64,-42.19,;61.31,-41.42,;63.97,-41.42,;65.31,-42.19,;63.97,-39.88,;65.3,-40.64,;44.77,-46.33,;43.43,-45.55,;42.09,-46.32,;42.1,-47.87,;40.96,-48.91,;41.6,-50.31,;43.13,-50.14,;43.45,-48.63,;44.77,-47.86,)|
COc1cc(ccn1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:8.8,wD:11.15,(15.97,-23.81,;14.64,-23.05,;14.63,-21.51,;15.95,-20.74,;15.95,-19.2,;14.62,-18.43,;13.28,-19.19,;13.29,-20.74,;17.28,-18.43,;17.28,-16.89,;18.61,-16.12,;19.94,-16.89,;19.94,-18.43,;18.61,-19.2,;21.28,-16.13,;22.77,-16.54,;23.17,-15.05,;21.68,-14.65,;24.5,-14.28,;25.84,-15.06,;25.83,-16.6,;27.17,-14.29,;28.5,-15.06,;29.84,-14.3,;29.84,-12.76,;31.17,-15.07,;31.16,-16.61,;32.49,-17.38,;33.82,-16.62,;33.82,-15.07,;32.49,-14.3,;35.16,-14.3,;36.49,-15.07,;35.16,-12.76,;36.49,-13.52,)|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)C1CCC(CC1)c1c[nH]c2ccccc12 |(15.4,2.88,;14.07,3.65,;14.07,5.19,;15.4,4.43,;12.74,2.88,;12.74,1.33,;11.4,.56,;10.07,1.34,;10.09,2.87,;11.41,3.64,;8.75,3.64,;8.76,5.18,;7.42,2.88,;6.09,3.65,;4.75,2.89,;4.75,1.35,;3.42,3.66,;2.08,2.89,;1.68,1.41,;.19,1.81,;.6,3.3,;-1.15,1.05,;-1.15,-.49,;-2.47,-1.25,;-3.8,-.49,;-3.8,1.05,;-2.47,1.83,;-5.14,-1.26,;-4.97,-2.79,;-6.37,-3.43,;-7.41,-2.29,;-8.94,-2.3,;-9.71,-.98,;-8.95,.36,;-7.42,.36,;-6.64,-.96,)|
N(c1nc(cs1)-c1cn[nH]c1)c1ccccn1
C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
CN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
COc1ccc(CN2CCC(CNC(=O)c3cc(CC(C)C)n(n3)-c3ccccc3)(CC2)C#N)cc1
CC(C)Cc1cc(nn1-c1ccccc1)C(=O)NCC1(CCN(CC2=Cc3ccccc3OC2(C)C)CC1)C#N |t:26|
CC(C)Cc1cc(nn1-c1ccccc1)C(=O)NCC1(CCN(CCc2ccccc2)CC1)C#N
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(O)=O
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2cccc(OC)c2)CC1
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccc(OC)cc2)CC1
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccccc2C(F)(F)F)CC1
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2cccc(c2)C(F)(F)F)CC1
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccc(cc2)C(F)(F)F)CC1
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(CC2=Cc3ccccc3OC2(C)C)CC1 |t:24|
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccccc2OC)CC1
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2cccc(OC)c2)CC1
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccc(OC)cc2)CC1
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccccc2C(F)(F)F)CC1
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(CC2=Cc3ccccc3OC2(C)C)CC1 |t:22|
COc1ccccc1CN1CCC(CNC(=O)c2cc(CC(C)C)n(n2)-c2ccccc2)(CC1)C#N
COc1cccc(CN2CCC(CNC(=O)c3cc(CC(C)C)n(n3)-c3ccccc3)(CC2)C#N)c1
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(Cc2ccccc2OC)CC1)C#N
COc1cccc(CN2CCC(CNC(=O)c3cc(OC)cc(OC)c3)(CC2)C#N)c1
COc1ccc(CN2CCC(CNC(=O)c3cc(OC)cc(OC)c3)(CC2)C#N)cc1
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(Cc2ccccc2C(F)(F)F)CC1)C#N
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(CC2=Cc3ccccc3OC2(C)C)CC1)C#N |t:20|
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(CCc2ccccc2)CC1)C#N
Clc1cc(Cl)cc(c1)C(=O)NCC1(CCN(CCc2ccccc2)CC1)C#N
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2cccc(c2)C(F)(F)F)CC1
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccccc2OC)CC1
CC(C)Cc1cc(nn1-c1ccccc1)C(=O)NCC1(CCN(Cc2ccccc2C(F)(F)F)CC1)C#N
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccc(cc2)C(F)(F)F)CC1
CC(C)N1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12 |r|
CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12 |r|
CN([C@@H]1CCN(C1)C1CCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12 |r|
CN([C@@H]1CCN(C1)C1CCCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12 |r|
CC(C)N1CC[C@H](C1)N(C)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1 |r|
CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1 |r|
CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(cc1)-n1cccn1 |r|
CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
COC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
CS(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3nccs3)c2c1 |r,wU:20.20,23.27,(9.33,-4.79,;8.19,-5.82,;6.72,-5.35,;7.78,-4.32,;8.51,-7.33,;9.98,-7.8,;10.29,-9.3,;9.15,-10.32,;9.15,-11.86,;7.69,-12.34,;6.79,-11.09,;5.25,-11.09,;4.48,-9.75,;2.94,-9.75,;2.17,-11.08,;2.18,-8.41,;.64,-8.41,;-.46,-9.49,;-1.55,-8.39,;-.45,-7.31,;-3.09,-8.39,;-3.86,-9.72,;-5.4,-9.72,;-6.16,-8.37,;-5.4,-7.04,;-3.85,-7.05,;-7.7,-8.37,;-8.61,-7.12,;-10.07,-7.6,;-10.07,-9.14,;-8.61,-9.61,;7.7,-9.84,;7.38,-8.35,)|
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cncs3)c2c1 |r,wU:20.20,23.27,(33.91,5.25,;32.77,4.22,;31.3,4.69,;32.36,5.72,;33.09,2.71,;34.55,2.24,;34.87,.74,;33.73,-.28,;33.73,-1.82,;32.27,-2.29,;31.37,-1.05,;29.83,-1.05,;29.06,.29,;27.52,.29,;26.75,-1.04,;26.75,1.63,;25.21,1.63,;24.12,.55,;23.03,1.65,;24.13,2.73,;21.49,1.65,;20.72,.32,;19.18,.33,;18.41,1.67,;19.18,3,;20.72,2.99,;16.87,1.67,;15.97,2.92,;14.51,2.44,;14.51,.9,;15.97,.43,;32.27,.2,;31.96,1.69,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@@H](CC2)C#C)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(32.38,-50.73,;31.13,-49.82,;29.67,-50.29,;28.77,-49.05,;27.23,-49.04,;26.46,-47.71,;24.92,-47.7,;24.15,-49.03,;24.16,-46.37,;22.62,-46.36,;21.52,-47.45,;20.43,-46.35,;21.53,-45.27,;18.89,-46.34,;18.13,-45.01,;16.58,-45,;15.82,-46.33,;16.58,-47.67,;18.12,-47.67,;14.28,-46.33,;12.74,-46.33,;29.68,-47.8,;29.36,-46.31,;30.49,-45.28,;31.96,-45.76,;32.27,-47.26,;31.13,-48.28,;30.17,-43.78,;31.31,-42.75,;28.7,-43.3,;29.76,-42.28,)|
Cn1ccc(n1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:6.6,9.13,(-11,-46.89,;-9.75,-45.98,;-9.75,-44.44,;-8.29,-43.96,;-7.38,-45.22,;-8.29,-46.46,;-5.84,-45.21,;-5.08,-46.56,;-3.54,-46.56,;-2.77,-45.23,;-3.54,-43.89,;-5.08,-43.89,;-1.23,-45.24,;-.14,-46.34,;.96,-45.25,;-.13,-44.16,;2.5,-45.25,;3.26,-46.59,;2.49,-47.92,;4.8,-46.6,;5.57,-47.93,;7.11,-47.94,;8.01,-49.18,;9.47,-48.71,;10.72,-49.61,;9.47,-47.17,;10.61,-46.15,;10.3,-44.65,;8.83,-44.17,;7.7,-45.2,;8.01,-46.69,;8.51,-42.67,;9.65,-41.63,;7.04,-42.19,;8.1,-41.17,)|
CC(C)c1ncc(s1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:8.8,11.15,(13.82,-28.32,;15.23,-28.94,;15.39,-30.47,;16.48,-28.04,;16.47,-26.5,;17.94,-26.02,;18.84,-27.27,;17.94,-28.51,;20.38,-27.27,;21.15,-28.62,;22.68,-28.62,;23.46,-27.29,;22.69,-25.95,;21.15,-25.94,;25,-27.29,;26.09,-28.39,;27.18,-27.31,;26.1,-26.21,;28.72,-27.31,;29.49,-28.65,;28.71,-29.98,;31.03,-28.65,;31.79,-29.99,;33.33,-29.99,;34.23,-31.24,;35.7,-30.76,;36.94,-31.67,;35.7,-29.22,;36.84,-28.2,;36.52,-26.7,;35.06,-26.23,;33.92,-27.25,;34.24,-28.74,;34.73,-24.72,;35.88,-23.69,;33.27,-24.25,;34.32,-23.22,)|
CCc1ncc(s1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:7.7,10.14,(-11.12,-28.31,;-9.71,-28.94,;-8.47,-28.03,;-8.47,-26.49,;-7,-26.01,;-6.1,-27.26,;-7,-28.5,;-4.56,-27.26,;-3.79,-28.61,;-2.26,-28.61,;-1.48,-27.28,;-2.25,-25.94,;-3.8,-25.94,;.06,-27.28,;1.15,-28.38,;2.24,-27.3,;1.15,-26.21,;3.78,-27.3,;4.54,-28.64,;3.77,-29.97,;6.08,-28.64,;6.85,-29.98,;8.39,-29.99,;9.29,-31.23,;10.76,-30.76,;12,-31.66,;10.75,-29.22,;11.89,-28.19,;11.58,-26.69,;10.11,-26.22,;8.98,-27.24,;9.3,-28.74,;9.79,-24.71,;10.93,-23.68,;8.33,-24.24,;9.38,-23.22,)|
Cc1ncc(s1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:6.6,9.13,(12.2,-18.67,;13.44,-17.76,;13.44,-16.22,;14.91,-15.75,;15.81,-17,;14.91,-18.24,;17.35,-17,;18.12,-18.34,;19.65,-18.34,;20.43,-17.01,;19.66,-15.68,;18.11,-15.67,;21.97,-17.02,;23.06,-18.12,;24.15,-17.03,;23.06,-15.94,;25.69,-17.04,;26.45,-18.37,;25.68,-19.7,;27.99,-18.38,;28.76,-19.71,;30.3,-19.72,;31.2,-20.96,;32.67,-20.49,;33.91,-21.4,;32.66,-18.95,;33.8,-17.93,;33.49,-16.43,;32.02,-15.95,;30.89,-16.98,;31.21,-18.47,;31.7,-14.45,;32.84,-13.42,;30.24,-13.97,;31.29,-12.95,)|
OCCn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F |r,wU:18.22,15.15,(12.47,-23.07,;11.22,-22.17,;11.39,-20.63,;10.14,-19.73,;8.68,-20.2,;7.78,-18.96,;6.24,-18.95,;5.47,-17.62,;3.93,-17.61,;3.16,-18.94,;3.16,-16.27,;1.62,-16.27,;.53,-17.36,;-.56,-16.26,;.54,-15.18,;-2.1,-16.25,;-2.87,-17.58,;-4.41,-17.58,;-5.18,-16.23,;-4.41,-14.91,;-2.87,-14.91,;-6.72,-16.24,;-7.62,-14.98,;-9.08,-15.46,;-9.08,-17,;-7.62,-17.48,;8.68,-17.71,;8.37,-16.22,;9.5,-15.19,;10.96,-15.67,;11.28,-17.17,;10.14,-18.19,;9.18,-13.69,;10.32,-12.65,;7.71,-13.21,;8.77,-12.19,)|
NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F |r,wU:18.22,15.15,(35.73,-11.8,;34.32,-12.42,;34.16,-13.95,;33.08,-11.51,;31.61,-11.99,;30.71,-10.74,;29.17,-10.74,;28.41,-9.4,;26.87,-9.4,;26.09,-10.73,;26.1,-8.06,;24.56,-8.06,;23.47,-9.14,;22.38,-8.04,;23.48,-6.96,;20.84,-8.04,;20.06,-9.37,;18.53,-9.37,;17.76,-8.02,;18.52,-6.69,;20.07,-6.7,;16.22,-8.02,;15.32,-6.77,;13.85,-7.25,;13.85,-8.79,;15.32,-9.26,;31.62,-9.49,;31.3,-8,;32.44,-6.98,;33.9,-7.45,;34.22,-8.95,;33.08,-9.97,;32.11,-5.47,;33.26,-4.44,;30.65,-5,;31.7,-3.97,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(11.37,-11.31,;10.13,-10.4,;8.66,-10.87,;7.76,-9.63,;6.22,-9.63,;5.45,-8.29,;3.91,-8.29,;3.14,-9.62,;3.15,-6.95,;1.61,-6.94,;.52,-8.03,;-.57,-6.93,;.52,-5.85,;-2.11,-6.93,;-2.89,-8.26,;-4.42,-8.25,;-5.19,-6.91,;-4.43,-5.58,;-2.88,-5.59,;-6.73,-6.91,;-7.63,-5.66,;-9.1,-6.13,;-9.1,-7.67,;-7.63,-8.15,;8.67,-8.38,;8.35,-6.89,;9.48,-5.87,;10.95,-6.34,;11.26,-7.84,;10.12,-8.86,;9.16,-4.36,;10.3,-3.33,;7.7,-3.89,;8.75,-2.86,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2cncs2)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(32.69,-2.28,;31.44,-1.37,;29.98,-1.84,;29.08,-.6,;27.54,-.6,;26.77,.74,;25.23,.74,;24.46,-.59,;24.47,2.08,;22.93,2.09,;21.83,1,;20.74,2.1,;21.84,3.18,;19.21,2.1,;18.43,.77,;16.9,.78,;16.13,2.12,;16.89,3.45,;18.44,3.44,;14.59,2.12,;13.68,3.37,;12.22,2.9,;12.22,1.36,;13.69,.88,;29.99,.65,;29.67,2.14,;30.8,3.16,;32.27,2.69,;32.58,1.19,;31.44,.17,;30.48,4.67,;31.62,5.7,;29.02,5.14,;30.07,6.17,)|
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cncs3)c2c1 |r,wU:20.20,23.27,(9.53,6.18,;8.39,5.15,;6.93,5.63,;7.98,6.65,;8.71,3.65,;10.18,3.17,;10.49,1.67,;9.35,.65,;9.36,-.89,;7.89,-1.36,;6.99,-.12,;5.45,-.11,;4.68,1.22,;3.14,1.23,;2.37,-.1,;2.38,2.56,;.84,2.57,;-.25,1.48,;-1.34,2.58,;-.25,3.66,;-2.88,2.59,;-3.66,1.26,;-5.19,1.26,;-5.96,2.6,;-5.2,3.93,;-3.65,3.92,;-7.5,2.6,;-8.4,3.85,;-9.87,3.38,;-9.87,1.84,;-8.4,1.36,;7.9,1.13,;7.58,2.62,)|
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COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:8.8,11.15,(-11.74,1.5,;-10.97,.17,;-9.43,.17,;-8.66,1.51,;-7.13,1.51,;-6.36,.18,;-7.12,-1.16,;-8.66,-1.16,;-4.82,.18,;-4.05,-1.17,;-2.52,-1.17,;-1.74,.16,;-2.51,1.5,;-4.05,1.5,;-.2,.16,;.89,-.94,;1.98,.14,;.9,1.23,;3.52,.14,;4.29,-1.2,;3.51,-2.53,;5.83,-1.2,;6.59,-2.54,;8.13,-2.55,;9.03,-3.79,;10.5,-3.32,;11.74,-4.22,;10.5,-1.78,;11.64,-.75,;11.32,.75,;9.86,1.22,;8.73,.2,;9.04,-1.3,;9.54,2.73,;10.68,3.76,;8.07,3.2,;9.12,4.22,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2cccnc2)c2cc(ccc12)C(F)(F)F |r,wU:16.20,13.13,(10.59,-4.22,;9.34,-3.32,;7.88,-3.79,;6.98,-2.55,;5.44,-2.54,;4.67,-1.2,;3.13,-1.2,;2.36,-2.53,;2.37,.14,;.83,.14,;-.27,-.94,;-1.36,.16,;-.26,1.23,;-2.9,.16,;-3.67,-1.17,;-5.21,-1.17,;-5.97,.18,;-5.21,1.5,;-3.66,1.5,;-7.51,.18,;-8.28,1.51,;-9.82,1.51,;-10.59,.17,;-9.81,-1.16,;-8.28,-1.16,;7.89,-1.3,;7.57,.2,;8.7,1.22,;10.17,.75,;10.48,-.75,;9.34,-1.78,;8.38,2.73,;9.52,3.76,;6.91,3.2,;7.97,4.22,)|
Cc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:7.7,10.14,(-11.31,-.05,;-9.77,-.04,;-9,1.29,;-7.46,1.29,;-6.69,-.04,;-7.45,-1.37,;-8.99,-1.38,;-5.15,-.04,;-4.38,-1.39,;-2.85,-1.39,;-2.07,-.06,;-2.84,1.28,;-4.39,1.29,;-.53,-.06,;.56,-1.16,;1.65,-.08,;.56,1.02,;3.19,-.08,;3.96,-1.42,;3.18,-2.75,;5.5,-1.42,;6.26,-2.76,;7.8,-2.76,;8.7,-4.01,;10.17,-3.53,;10.17,-1.99,;11.31,-.97,;10.99,.53,;9.53,1,;8.39,-.02,;8.71,-1.51,;9.2,2.51,;10.35,3.54,;7.74,2.98,;8.79,4.01,)|
CN(C)c1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:9.9,12.16,(-11.35,-2.51,;-9.81,-2.5,;-9.04,-3.83,;-9.05,-1.16,;-9.82,.17,;-9.06,1.51,;-7.52,1.51,;-6.75,.18,;-7.51,-1.16,;-5.21,.18,;-4.44,-1.17,;-2.91,-1.17,;-2.13,.16,;-2.9,1.5,;-4.44,1.5,;-.59,.16,;.5,-.94,;1.59,.14,;.51,1.23,;3.13,.14,;3.9,-1.2,;3.12,-2.53,;5.44,-1.2,;6.2,-2.54,;7.74,-2.55,;8.64,-3.79,;10.11,-3.32,;11.35,-4.22,;10.11,-1.78,;11.25,-.75,;10.93,.75,;9.47,1.22,;8.33,.2,;8.65,-1.3,;9.14,2.73,;10.29,3.76,;7.68,3.2,;8.73,4.22,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccccc2)c2cc(ccc12)C(F)(F)F |r,wU:16.20,13.13,(10.59,-4.22,;9.34,-3.32,;7.88,-3.79,;6.98,-2.55,;5.44,-2.54,;4.67,-1.2,;3.13,-1.2,;2.36,-2.53,;2.37,.14,;.83,.14,;-.27,-.94,;-1.36,.16,;-.26,1.23,;-2.9,.16,;-3.67,-1.17,;-5.21,-1.17,;-5.97,.18,;-5.21,1.5,;-3.66,1.5,;-7.51,.18,;-8.28,1.51,;-9.82,1.51,;-10.59,.17,;-9.81,-1.16,;-8.28,-1.16,;7.89,-1.3,;7.57,.2,;8.7,1.22,;10.17,.75,;10.48,-.75,;9.34,-1.78,;8.38,2.73,;9.52,3.76,;6.91,3.2,;7.97,4.22,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C2CCCC2)c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-10.63,5.18,;-9.85,3.85,;-10.62,2.51,;-9.85,1.18,;-10.62,-.15,;-8.31,1.18,;-7.55,-.16,;-6.01,-.17,;-5.24,1.16,;-6,2.5,;-7.55,2.51,;-3.7,1.16,;-2.61,.06,;-1.51,1.15,;-2.6,2.24,;.03,1.14,;.79,-.2,;.02,-1.53,;2.33,-.2,;3.1,-1.54,;4.64,-1.54,;5.54,-2.78,;7,-2.31,;8.25,-3.22,;8.25,-4.75,;9.72,-5.23,;10.63,-3.98,;9.72,-2.74,;7,-.77,;8.14,.25,;7.83,1.75,;6.36,2.22,;5.23,1.2,;5.55,-.29,;6.04,3.73,;7.18,4.76,;4.57,4.2,;5.63,5.23,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CN=C1NC(Cc2ccccc2)c2ccc(cc12)C(F)(F)F |r,w:19.20,wU:5.4,8.11,(-11.55,4.32,;-10.78,2.98,;-11.54,1.65,;-10.77,.32,;-11.54,-1.02,;-9.23,.32,;-8.47,-1.03,;-6.93,-1.03,;-6.16,.3,;-6.92,1.64,;-8.47,1.64,;-4.62,.3,;-3.53,-.8,;-2.43,.28,;-3.52,1.38,;-.89,.28,;-.13,-1.06,;-.9,-2.39,;1.41,-1.06,;2.18,-2.4,;3.72,-2.4,;4.62,-3.65,;6.08,-3.17,;7.33,-4.08,;8.74,-3.46,;9.98,-4.37,;11.38,-3.74,;11.55,-2.21,;10.29,-1.3,;8.89,-1.93,;6.08,-1.63,;7.22,-.61,;6.91,.89,;5.44,1.36,;4.31,.34,;4.63,-1.15,;5.12,2.87,;6.26,3.9,;3.65,3.34,;4.71,4.37,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(c2ccc(cc12)C(F)(F)F)S(C)(=O)=O |r,wU:5.4,8.11,(-10.14,4.84,;-9.37,3.5,;-10.14,2.17,;-9.37,.84,;-10.14,-.5,;-7.83,.84,;-7.06,-.51,;-5.53,-.51,;-4.75,.82,;-5.52,2.16,;-7.06,2.16,;-3.21,.82,;-2.12,-.28,;-1.03,.8,;-2.11,1.89,;.51,.8,;1.28,-.54,;.5,-1.87,;2.82,-.54,;3.58,-1.88,;5.12,-1.88,;6.02,-3.13,;7.49,-2.66,;7.49,-1.11,;8.63,-.09,;8.31,1.41,;6.85,1.88,;5.71,.86,;6.03,-.64,;6.52,3.39,;7.67,4.42,;5.06,3.86,;6.11,4.88,;8.73,-3.56,;10.14,-2.94,;7.95,-4.88,;9.49,-4.88,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C(N)=O)c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-10.14,4.94,;-9.37,3.61,;-10.14,2.27,;-9.37,.94,;-10.14,-.39,;-7.83,.94,;-7.06,-.4,;-5.53,-.4,;-4.75,.93,;-5.52,2.26,;-7.06,2.27,;-3.21,.92,;-2.12,-.18,;-1.03,.91,;-2.11,2,;.51,.9,;1.28,-.43,;.5,-1.77,;2.82,-.44,;3.58,-1.78,;5.12,-1.78,;6.02,-3.02,;7.49,-2.55,;8.73,-3.46,;10.14,-2.83,;8.57,-4.99,;7.49,-1.01,;8.63,.01,;8.31,1.51,;6.85,1.99,;5.71,.96,;6.03,-.53,;6.52,3.49,;7.67,4.52,;5.06,3.96,;6.11,4.99,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC(F)(F)F)c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-10.8,4.32,;-10.03,2.98,;-10.8,1.65,;-10.03,.32,;-10.8,-1.02,;-8.49,.32,;-7.72,-1.03,;-6.19,-1.03,;-5.41,.3,;-6.18,1.64,;-7.73,1.64,;-3.87,.3,;-2.78,-.8,;-1.69,.28,;-2.78,1.37,;-.15,.28,;.62,-1.06,;-.16,-2.39,;2.16,-1.06,;2.92,-2.4,;4.46,-2.4,;5.36,-3.65,;6.83,-3.18,;8.07,-4.08,;9.48,-3.46,;9.64,-1.93,;10.72,-4.36,;10.8,-2.67,;6.83,-1.63,;7.96,-.61,;7.65,.89,;6.19,1.36,;5.05,.34,;5.37,-1.16,;5.86,2.87,;7.01,3.9,;4.4,3.34,;5.45,4.36,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC=C)c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-10.76,4.32,;-9.99,2.98,;-10.76,1.65,;-9.99,.32,;-10.76,-1.02,;-8.45,.32,;-7.68,-1.03,;-6.15,-1.03,;-5.37,.3,;-6.14,1.64,;-7.69,1.64,;-3.83,.3,;-2.74,-.8,;-1.65,.28,;-2.74,1.37,;-.11,.28,;.65,-1.06,;-.12,-2.39,;2.19,-1.06,;2.96,-2.4,;4.5,-2.4,;5.4,-3.65,;6.87,-3.18,;8.11,-4.08,;9.52,-3.46,;10.76,-4.36,;6.86,-1.63,;8,-.61,;7.69,.89,;6.22,1.36,;5.09,.34,;5.41,-1.16,;5.9,2.87,;7.04,3.9,;4.44,3.34,;5.49,4.36,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC)c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-10.14,4.18,;-9.37,2.84,;-10.14,1.51,;-9.37,.18,;-10.14,-1.16,;-7.83,.18,;-7.06,-1.17,;-5.53,-1.17,;-4.75,.16,;-5.52,1.5,;-7.06,1.5,;-3.21,.16,;-2.12,-.94,;-1.03,.14,;-2.11,1.23,;.51,.14,;1.28,-1.2,;.5,-2.53,;2.82,-1.2,;3.58,-2.54,;5.12,-2.55,;6.02,-3.79,;7.49,-3.32,;8.73,-4.22,;10.14,-3.6,;7.49,-1.78,;8.63,-.75,;8.31,.75,;6.85,1.22,;5.71,.2,;6.03,-1.3,;6.52,2.73,;7.67,3.76,;5.06,3.2,;6.11,4.22,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1noc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-9.38,3.96,;-8.61,2.63,;-9.38,1.29,;-8.61,-.04,;-9.38,-1.38,;-7.07,-.04,;-6.3,-1.39,;-4.77,-1.39,;-3.99,-.06,;-4.76,1.28,;-6.31,1.29,;-2.45,-.06,;-1.36,-1.16,;-.27,-.08,;-1.36,1.02,;1.27,-.08,;2.03,-1.42,;1.26,-2.75,;3.57,-1.42,;4.34,-2.76,;5.88,-2.76,;6.78,-4.01,;8.25,-3.53,;8.24,-1.99,;9.38,-.97,;9.07,.53,;7.6,1,;6.47,-.02,;6.79,-1.51,;7.28,2.51,;8.42,3.54,;5.82,2.98,;6.87,4.01,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-9.38,3.96,;-8.61,2.63,;-9.38,1.29,;-8.61,-.04,;-9.38,-1.38,;-7.07,-.04,;-6.3,-1.39,;-4.77,-1.39,;-3.99,-.06,;-4.76,1.28,;-6.31,1.29,;-2.45,-.06,;-1.36,-1.16,;-.27,-.08,;-1.36,1.02,;1.27,-.08,;2.03,-1.42,;1.26,-2.75,;3.57,-1.42,;4.34,-2.76,;5.88,-2.76,;6.78,-4.01,;8.25,-3.53,;8.24,-1.99,;9.38,-.97,;9.07,.53,;7.6,1,;6.47,-.02,;6.79,-1.51,;7.28,2.51,;8.42,3.54,;5.82,2.98,;6.87,4.01,)|
NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F |r,wU:18.22,15.15,(10.56,-4.99,;10.72,-3.46,;12.13,-2.83,;9.48,-2.55,;8.01,-3.02,;7.11,-1.78,;5.57,-1.78,;4.8,-.44,;3.26,-.43,;2.49,-1.77,;2.5,.9,;.96,.91,;-.13,-.18,;-1.22,.92,;-.13,2,;-2.76,.93,;-3.54,-.4,;-5.07,-.4,;-5.84,.94,;-5.08,2.27,;-3.53,2.26,;-7.38,.94,;-8.14,-.39,;-9.67,-.39,;-10.45,.94,;-11.96,1.26,;-12.13,2.79,;-10.72,3.43,;-9.68,2.28,;-8.14,2.28,;8.02,-.53,;7.7,.96,;8.83,1.99,;10.3,1.51,;10.61,.01,;9.47,-1.01,;8.51,3.49,;9.65,4.52,;7.05,3.96,;8.1,4.99,)|
CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F |r,wU:22.26,19.19,(11.1,-6.21,;11.26,-4.68,;12.67,-4.05,;12.35,-5.76,;10.02,-3.77,;10.18,-2.24,;11.59,-1.61,;8.93,-1.33,;7.47,-1.8,;6.57,-.56,;5.03,-.56,;4.26,.78,;2.72,.78,;1.95,-.55,;1.96,2.12,;.42,2.13,;-.67,1.04,;-1.76,2.14,;-.67,3.22,;-3.3,2.14,;-4.08,.81,;-5.61,.82,;-6.38,2.16,;-5.62,3.49,;-4.07,3.48,;-7.92,2.16,;-8.68,.83,;-10.21,.82,;-10.99,2.16,;-12.5,2.48,;-12.67,4.01,;-11.26,4.65,;-10.23,3.5,;-8.68,3.5,;7.48,.69,;7.16,2.18,;8.29,3.2,;9.76,2.73,;10.07,1.23,;8.93,.21,;7.97,4.71,;9.11,5.74,;6.51,5.18,;7.56,6.21,)|
OCCn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F |r,wU:18.22,15.15,(11.97,-5.44,;10.72,-4.54,;10.88,-3,;9.64,-2.1,;8.17,-2.57,;7.27,-1.33,;5.73,-1.32,;4.97,.01,;3.43,.02,;2.65,-1.31,;2.66,1.36,;1.12,1.36,;.03,.27,;-1.06,1.37,;.04,2.45,;-2.6,1.38,;-3.38,.05,;-4.91,.05,;-5.68,1.4,;-4.91,2.72,;-3.37,2.72,;-7.22,1.39,;-7.97,.07,;-9.51,.06,;-10.29,1.4,;-11.8,1.71,;-11.97,3.25,;-10.56,3.88,;-9.52,2.74,;-7.98,2.73,;8.18,-.08,;7.86,1.41,;9,2.44,;10.46,1.96,;10.78,.46,;9.64,-.56,;8.67,3.94,;9.82,4.98,;7.21,4.42,;8.26,5.44,)|
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccc4OCOc4c3)c2c1 |r,wU:23.27,20.20,(10.41,3.54,;9.27,2.51,;7.8,2.98,;8.86,4.01,;9.59,1,;11.06,.53,;11.37,-.97,;10.23,-1.99,;10.23,-3.53,;8.77,-4.01,;7.87,-2.76,;6.33,-2.76,;5.56,-1.42,;4.02,-1.42,;3.25,-2.75,;3.26,-.08,;1.72,-.08,;.62,-1.16,;-.47,-.06,;.63,1.02,;-2.01,-.06,;-2.78,-1.39,;-4.32,-1.39,;-5.08,-.04,;-4.32,1.29,;-2.77,1.28,;-6.62,-.04,;-7.38,-1.37,;-8.92,-1.38,;-9.69,-.04,;-11.21,.28,;-11.37,1.81,;-9.96,2.44,;-8.93,1.3,;-7.39,1.3,;8.77,-1.51,;8.46,-.02,)|
CS(=O)(=O)N[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-7.87,2.63,;-8.63,1.29,;-10.13,1.7,;-9.73,.21,;-7.86,-.04,;-6.32,-.04,;-5.56,1.29,;-4.01,1.28,;-3.25,-.06,;-4.02,-1.39,;-5.56,-1.39,;-1.71,-.06,;-.62,-1.16,;.48,-.08,;-.61,1.02,;2.02,-.08,;2.78,-1.42,;2.01,-2.75,;4.32,-1.42,;5.09,-2.76,;6.63,-2.76,;7.53,-4.01,;8.99,-3.53,;8.99,-1.99,;10.13,-.97,;9.82,.53,;8.35,1,;7.22,-.02,;7.54,-1.51,;8.03,2.51,;9.17,3.54,;6.56,2.98,;7.62,4.01,)|
N[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:1.0,4.7,(-9,-.04,;-7.46,-.04,;-6.69,1.29,;-5.15,1.28,;-4.38,-.06,;-5.16,-1.39,;-6.69,-1.39,;-2.84,-.06,;-1.75,-1.16,;-.66,-.08,;-1.74,1.02,;.88,-.08,;1.65,-1.42,;.87,-2.75,;3.19,-1.42,;3.95,-2.76,;5.49,-2.76,;6.39,-4.01,;7.86,-3.53,;7.86,-1.99,;9,-.97,;8.68,.53,;7.22,1,;6.08,-.02,;6.4,-1.51,;6.9,2.51,;8.04,3.54,;5.43,2.98,;6.48,4.01,)|
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)OCC=C)c2c1 |r,wU:23.27,20.20,(8.42,3.54,;7.28,2.51,;5.82,2.98,;6.87,4.01,;7.6,1,;9.07,.53,;9.38,-.97,;8.24,-1.99,;8.25,-3.53,;6.78,-4.01,;5.88,-2.76,;4.34,-2.76,;3.57,-1.42,;2.03,-1.42,;1.26,-2.75,;1.27,-.08,;-.27,-.08,;-1.36,-1.16,;-2.45,-.06,;-1.36,1.02,;-3.99,-.06,;-4.76,1.28,;-6.31,1.29,;-7.07,-.04,;-6.3,-1.39,;-4.77,-1.39,;-8.61,-.04,;-9.38,1.29,;-8.61,2.63,;-9.38,3.96,;6.79,-1.51,;6.47,-.02,)|
O[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:1.0,4.7,(-9,-.04,;-7.46,-.04,;-6.69,1.29,;-5.15,1.28,;-4.38,-.06,;-5.16,-1.39,;-6.69,-1.39,;-2.84,-.06,;-1.75,-1.16,;-.66,-.08,;-1.74,1.02,;.88,-.08,;1.65,-1.42,;.87,-2.75,;3.19,-1.42,;3.95,-2.76,;5.49,-2.76,;6.39,-4.01,;7.86,-3.53,;7.86,-1.99,;9,-.97,;8.68,.53,;7.22,1,;6.08,-.02,;6.4,-1.51,;6.9,2.51,;8.04,3.54,;5.43,2.98,;6.48,4.01,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@H](COCC=C)CC2)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.17,(10.23,-42.67,;8.98,-41.76,;7.52,-42.23,;6.62,-40.99,;5.08,-40.99,;4.31,-39.65,;2.77,-39.65,;2,-40.98,;2.01,-38.31,;.47,-38.3,;-.63,-39.39,;-1.72,-38.29,;-.62,-37.21,;-3.26,-38.29,;-4.03,-36.95,;-5.57,-36.94,;-6.33,-38.27,;-7.87,-38.27,;-8.65,-36.94,;-7.88,-35.6,;-8.65,-34.27,;-7.88,-32.93,;-5.57,-39.61,;-4.03,-39.62,;7.52,-39.74,;7.21,-38.25,;8.34,-37.23,;9.81,-37.7,;10.12,-39.2,;8.98,-40.22,;8.02,-35.72,;9.16,-34.69,;6.55,-35.25,;7.61,-34.22,)|
CCOC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:7.10,4.3,(12.26,-25.29,;13.03,-26.62,;12.26,-27.95,;13.03,-29.29,;14.57,-29.29,;15.34,-27.96,;16.88,-27.97,;17.65,-29.3,;16.87,-30.63,;15.34,-30.63,;19.19,-29.31,;20.28,-30.41,;21.37,-29.32,;20.29,-28.23,;22.91,-29.33,;23.68,-30.66,;22.9,-31.99,;25.22,-30.67,;25.98,-32,;27.52,-32.01,;28.42,-33.25,;29.89,-32.78,;31.13,-33.69,;29.89,-31.24,;31.03,-30.22,;30.71,-28.72,;29.25,-28.24,;28.11,-29.27,;28.43,-30.76,;28.92,-26.74,;30.07,-25.7,;27.46,-26.26,;28.51,-25.24,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@H](CO)CC2)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.17,(8.93,-30.5,;7.68,-29.59,;6.22,-30.06,;5.32,-28.82,;3.78,-28.81,;3.01,-27.48,;1.47,-27.47,;.7,-28.8,;.71,-26.14,;-.83,-26.13,;-1.93,-27.22,;-3.02,-26.12,;-1.92,-25.04,;-4.56,-26.11,;-5.32,-24.78,;-6.87,-24.77,;-7.63,-26.1,;-9.17,-26.1,;-9.94,-24.76,;-6.87,-27.44,;-5.33,-27.44,;6.23,-27.57,;5.91,-26.08,;7.04,-25.05,;8.51,-25.53,;8.82,-27.03,;7.68,-28.05,;6.72,-23.55,;7.86,-22.52,;5.25,-23.07,;6.31,-22.05,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)C(N)=O)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(31.19,-22.92,;29.94,-22.01,;28.48,-22.49,;27.58,-21.24,;26.04,-21.24,;25.27,-19.9,;23.73,-19.9,;22.96,-21.23,;22.97,-18.56,;21.43,-18.56,;20.33,-19.64,;19.24,-18.54,;20.34,-17.46,;17.7,-18.54,;16.93,-19.87,;15.39,-19.87,;14.63,-18.52,;15.39,-17.19,;16.94,-17.2,;13.09,-18.52,;12.32,-17.19,;12.32,-19.86,;28.49,-19.99,;28.17,-18.5,;29.3,-17.48,;30.77,-17.95,;31.08,-19.45,;29.94,-20.47,;28.98,-15.97,;30.12,-14.94,;27.51,-15.5,;28.57,-14.47,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)C(O)=O)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(9.81,-20.88,;8.56,-19.98,;7.1,-20.45,;6.2,-19.21,;4.66,-19.2,;3.89,-17.86,;2.35,-17.86,;1.58,-19.19,;1.59,-16.52,;.05,-16.52,;-1.05,-17.6,;-2.14,-16.5,;-1.04,-15.43,;-3.68,-16.5,;-4.45,-17.83,;-5.99,-17.83,;-6.75,-16.48,;-5.99,-15.16,;-4.45,-15.16,;-8.29,-16.48,;-9.07,-15.15,;-9.06,-17.82,;7.1,-17.96,;6.79,-16.46,;7.92,-15.44,;9.39,-15.91,;9.7,-17.41,;8.56,-18.44,;7.6,-13.93,;8.74,-12.9,;6.13,-13.46,;7.19,-12.44,)|
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(13.3,-4.72,;14.07,-6.05,;13.3,-7.39,;14.07,-8.72,;13.31,-10.06,;15.61,-8.72,;16.38,-10.07,;17.92,-10.07,;18.69,-8.74,;17.92,-7.4,;16.38,-7.39,;20.23,-8.74,;21.32,-9.84,;22.41,-8.76,;21.33,-7.66,;23.95,-8.76,;24.72,-10.1,;23.95,-11.43,;26.26,-10.1,;27.03,-11.44,;28.57,-11.44,;29.47,-12.69,;30.93,-12.21,;32.18,-13.12,;30.93,-10.67,;32.07,-9.65,;31.75,-8.15,;30.29,-7.68,;29.16,-8.7,;29.47,-10.19,;29.97,-6.17,;31.11,-5.14,;28.5,-5.7,;29.56,-4.67,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@@H](CC2)C2CCCCC2)c2cc(ccc12)C(F)(F)F |r,wU:16.20,13.13,(10.9,-11.84,;9.66,-10.93,;8.19,-11.4,;7.29,-10.16,;5.75,-10.16,;4.99,-8.82,;3.45,-8.81,;2.67,-10.15,;2.68,-7.48,;1.14,-7.47,;.05,-8.56,;-1.04,-7.46,;.06,-6.38,;-2.58,-7.45,;-3.35,-6.12,;-4.89,-6.11,;-5.66,-7.44,;-4.89,-8.78,;-3.36,-8.78,;-7.2,-7.44,;-7.97,-6.11,;-9.5,-6.1,;-10.28,-7.43,;-9.51,-8.77,;-7.96,-8.78,;8.2,-8.91,;7.88,-7.42,;9.02,-6.39,;10.48,-6.87,;10.8,-8.37,;9.66,-9.39,;8.69,-4.89,;9.84,-3.86,;7.23,-4.42,;8.28,-3.39,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@@H](CC2)C#N)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(30.89,-2.35,;29.64,-1.44,;28.17,-1.91,;27.27,-.67,;25.73,-.67,;24.97,.67,;23.43,.67,;22.65,-.66,;22.66,2.01,;21.12,2.02,;20.03,.93,;18.94,2.03,;20.04,3.11,;17.4,2.03,;16.63,3.37,;15.09,3.38,;14.32,2.05,;15.09,.71,;16.62,.7,;12.78,2.05,;11.25,2.05,;28.18,.58,;27.87,2.07,;29,3.09,;30.46,2.62,;30.78,1.12,;29.64,.1,;28.68,4.6,;29.82,5.63,;27.21,5.07,;28.26,6.1,)|
CC(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:6.9,3.2,(-9.77,4.13,;-9,2.8,;-9.77,1.46,;-7.46,2.8,;-6.7,4.12,;-5.15,4.12,;-4.38,2.78,;-5.16,1.45,;-6.69,1.45,;-2.85,2.78,;-1.76,1.68,;-.66,2.76,;-1.75,3.85,;.88,2.76,;1.64,1.42,;.87,.09,;3.18,1.42,;3.95,.08,;5.49,.08,;6.39,-1.17,;7.85,-.7,;7.85,.85,;8.99,1.87,;8.68,3.37,;7.21,3.84,;6.08,2.82,;6.4,1.32,;6.89,5.35,;8.03,6.38,;5.43,5.82,;6.48,6.84,)|
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1 |r,wU:23.27,20.20,(9.58,3.54,;8.44,2.51,;6.97,2.98,;8.03,4.01,;8.76,1,;10.22,.53,;10.54,-.97,;9.4,-1.99,;9.4,-3.53,;7.94,-4.01,;7.04,-2.76,;5.5,-2.76,;4.73,-1.42,;3.19,-1.42,;2.42,-2.75,;2.42,-.08,;.88,-.08,;-.21,-1.16,;-1.3,-.06,;-.2,1.02,;-2.84,-.06,;-3.61,-1.39,;-5.15,-1.39,;-5.92,-.04,;-5.15,1.29,;-3.61,1.28,;-7.46,-.04,;-8.23,1.3,;-9.77,1.29,;-10.54,-.04,;-9.77,-1.38,;-8.23,-1.38,;-7.46,-2.71,;7.94,-1.51,;7.63,-.02,)|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(12.85,-40.75,;11.6,-39.84,;10.14,-40.31,;9.24,-39.07,;7.7,-39.07,;6.93,-37.73,;5.39,-37.72,;4.62,-39.06,;4.63,-36.39,;3.09,-36.38,;1.99,-37.47,;.9,-36.37,;2,-35.29,;-.64,-36.36,;-1.41,-37.69,;-2.95,-37.69,;-3.71,-36.35,;-2.95,-35.02,;-1.4,-35.03,;-5.25,-36.35,;-6.03,-37.68,;-7.57,-37.68,;-8.34,-36.34,;-9.83,-36.03,;-10,-34.51,;-8.61,-33.88,;-7.58,-35.02,;-6.03,-35.01,;10.15,-37.82,;9.83,-36.33,;10.96,-35.3,;12.43,-35.78,;12.74,-37.28,;11.6,-38.3,;10.64,-33.8,;11.78,-32.77,;9.17,-33.33,;10.23,-32.3,)|
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:8.8,11.15,(-11.69,1.29,;-10.92,-.05,;-9.38,-.04,;-8.61,1.29,;-7.07,1.29,;-6.3,-.04,;-7.07,-1.37,;-8.6,-1.38,;-4.76,-.04,;-4,-1.39,;-2.46,-1.39,;-1.69,-.06,;-2.45,1.28,;-4,1.29,;-.15,-.06,;.94,-1.16,;2.04,-.08,;.95,1.02,;3.58,-.08,;4.34,-1.42,;3.57,-2.75,;5.88,-1.42,;6.65,-2.76,;8.19,-2.76,;9.09,-4.01,;10.55,-3.53,;10.55,-1.99,;11.69,-.97,;11.38,.53,;9.91,1,;8.78,-.02,;9.1,-1.51,;9.59,2.51,;10.73,3.54,;8.12,2.98,;9.18,4.01,)|
NC(=O)Cc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:13.17,10.10,(-8.25,-29.41,;-9.01,-28.08,;-10.55,-28.08,;-8.24,-26.74,;-6.7,-26.75,;-5.93,-28.09,;-4.39,-28.09,;-3.62,-26.75,;-4.4,-25.41,;-5.94,-25.41,;-2.08,-26.75,;-1.31,-28.09,;.22,-28.1,;1,-26.77,;.23,-25.43,;-1.32,-25.42,;2.54,-26.77,;3.63,-27.87,;4.72,-26.79,;3.63,-25.69,;6.26,-26.79,;7.03,-28.13,;6.25,-29.46,;8.57,-28.13,;9.33,-29.47,;10.87,-29.47,;11.77,-30.71,;13.24,-30.24,;13.24,-28.7,;14.37,-27.68,;14.06,-26.18,;12.6,-25.71,;11.46,-26.73,;11.78,-28.22,;12.27,-24.2,;13.42,-23.17,;10.81,-23.73,;11.86,-22.7,)|
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccc4OCOc4c3)c2c1 |r,wU:20.20,23.27,(33.39,-15.27,;32.25,-16.3,;30.78,-15.83,;31.83,-14.8,;32.57,-17.8,;34.03,-18.28,;34.35,-19.78,;33.21,-20.8,;33.21,-22.34,;31.74,-22.81,;30.84,-21.57,;29.3,-21.57,;28.54,-20.23,;27,-20.22,;26.22,-21.56,;26.23,-18.89,;24.69,-18.88,;23.6,-19.97,;22.51,-18.87,;23.61,-17.79,;20.97,-18.86,;20.19,-20.19,;18.66,-20.19,;17.89,-18.85,;18.66,-17.52,;20.2,-17.53,;16.35,-18.85,;15.58,-20.18,;14.04,-20.18,;13.27,-18.84,;11.77,-18.53,;11.61,-17.01,;13,-16.38,;14.03,-17.52,;15.57,-17.51,;31.75,-20.32,;31.44,-18.83,)|
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3)c2c1 |r,wU:23.27,20.20,(9.58,3.54,;8.44,2.51,;6.97,2.98,;8.03,4.01,;8.76,1,;10.22,.53,;10.54,-.97,;9.4,-1.99,;9.4,-3.53,;7.94,-4.01,;7.04,-2.76,;5.5,-2.76,;4.73,-1.42,;3.19,-1.42,;2.42,-2.75,;2.42,-.08,;.88,-.08,;-.21,-1.16,;-1.3,-.06,;-.2,1.02,;-2.84,-.06,;-3.61,-1.39,;-5.15,-1.39,;-5.92,-.04,;-5.15,1.29,;-3.61,1.28,;-7.46,-.04,;-8.23,-1.38,;-9.77,-1.38,;-10.54,-.04,;-9.77,1.29,;-8.23,1.3,;7.94,-1.51,;7.63,-.02,)|
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1noc2ccc(cc12)C(F)(F)F |r,wU:8.8,11.15,(-10.72,2.46,;-9.95,1.13,;-8.41,1.13,;-7.64,2.47,;-6.1,2.47,;-5.34,1.13,;-6.1,-.2,;-7.63,-.2,;-3.8,1.13,;-3.03,-.21,;-1.5,-.21,;-.72,1.12,;-1.49,2.45,;-3.04,2.46,;.82,1.11,;1.91,.01,;3,1.1,;1.92,2.19,;4.54,1.09,;5.31,-.24,;4.53,-1.57,;6.85,-.25,;7.61,-1.58,;9.15,-1.59,;10.05,-2.83,;11.52,-2.36,;11.52,-.82,;12.66,.2,;12.34,1.7,;10.88,2.18,;9.74,1.15,;10.06,-.34,;10.55,3.68,;11.7,4.71,;9.09,4.16,;10.14,5.18,)|
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cccnc3)c2c1 |r,wU:23.27,20.20,(9.58,3.54,;8.43,2.51,;6.97,2.98,;8.02,4.01,;8.76,1,;10.22,.53,;10.54,-.97,;9.4,-1.99,;9.4,-3.53,;7.93,-4.01,;7.03,-2.76,;5.49,-2.76,;4.73,-1.42,;3.19,-1.42,;2.41,-2.75,;2.42,-.08,;.88,-.08,;-.21,-1.16,;-1.3,-.06,;-.21,1.02,;-2.84,-.06,;-3.62,-1.39,;-5.15,-1.39,;-5.92,-.04,;-5.16,1.29,;-3.61,1.28,;-7.46,-.04,;-8.23,1.29,;-9.77,1.29,;-10.54,-.04,;-9.76,-1.38,;-8.22,-1.37,;7.94,-1.51,;7.62,-.02,)|
CCO[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:3.2,6.9,(-8.61,2.63,;-9.38,1.29,;-8.61,-.04,;-7.07,-.04,;-6.31,1.29,;-4.76,1.28,;-3.99,-.06,;-4.77,-1.39,;-6.3,-1.39,;-2.45,-.06,;-1.36,-1.16,;-.27,-.08,;-1.36,1.02,;1.27,-.08,;2.03,-1.42,;1.26,-2.75,;3.57,-1.42,;4.34,-2.76,;5.88,-2.76,;6.78,-4.01,;8.24,-3.53,;8.24,-1.99,;9.38,-.97,;9.07,.53,;7.6,1,;6.47,-.02,;6.79,-1.51,;7.28,2.51,;8.42,3.54,;5.82,2.98,;6.87,4.01,)|
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r|
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1ccc(N)nc1 |r|
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cn[nH]c1 |r|
NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1
NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cnc(N)cn1
NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cn[nH]c1
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(N[C@H](C3CC3)C(F)(F)F)c21)C(N)=O |r|
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(NC(C3CC3)C3CC3)c21)C(N)=O
C[C@H](Nc1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)-c1cnn(C)c1)C(C)(C)C |r|
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(ccc(NC3CCCCC3)c21)C(N)=O
Cc1nc2nc(C)c(C[C@@H]3CCN(C3)c3cnc(cn3)-c3ccc(CN4CCOCC4)cc3)c(C)n2n1 |r|
Cc1nc2nc(C)c(C[C@@H]3CCN(C3)c3ccc(cc3)-c3cnc(CN4CCOCC4)cn3)c(C)n2n1 |r|
Cc1nc2nc(C)c(C[C@@H]3CCN(C3)c3ccc(cc3)-c3ccc(CN4CCOCC4)nn3)c(C)n2n1 |r|
CN1CCN(Cc2ccc(nn2)-c2ccc(cc2)N2CC[C@@H](Cc3c(C)nc4nc(C)nn4c3C)C2)CC1 |r|
Cc1nc2nc(C)c(O[C@@H]3CCN(C3)c3ccc(cc3)-c3ccc(CN4CCOCC4)nn3)c(C)n2n1 |r|
CN1CCN(Cc2ccc(nn2)-c2ccc(cc2)N2CC[C@H](C2)Oc2c(C)nc3nc(C)nn3c2C)CC1 |r|
CC(=O)N1CCN(Cc2ccc(nn2)-c2ccc(cc2)N2CC[C@H](C2)Oc2c(C)nc3nc(C)nn3c2C)CC1 |r|
Cc1nc2nc(C)c(CCNC(=O)c3cnc(cn3)-c3ccc(CN4CCOCC4)cc3)c(C)n2n1
CN1CCN(Cc2ccc(cc2)-c2cnc(cn2)N2CC[C@@H](Cc3c(C)nc4nc(C)nn4c3C)C2)CC1 |r|
C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wD:17.19,t:1,TLB:0:17:20.21:24.23,THB:16:17:20.21:24.23,(15.47,-25.27,;15.91,-23.79,;14.64,-22.92,;14.61,-21.38,;15.93,-20.58,;15.89,-19.04,;17.21,-18.24,;18.57,-18.98,;18.6,-20.53,;17.28,-21.33,;17.16,-16.7,;18.48,-15.9,;18.45,-14.36,;17.09,-13.62,;15.77,-14.43,;15.82,-15.97,;13.42,-23.85,;13.93,-25.31,;14.79,-26.41,;13.02,-27.37,;12.76,-28.49,;11.95,-27.32,;12.44,-25.93,;11.22,-24.85,;11.51,-26.06,)|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)cc1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)cn1 |r|
Fc1cc(CC(=O)N2CCC2)ccc1OCC[C@@H]1C[C@@H]1C1CCN(CC1)c1ncc(Cl)cn1 |r|
OC1CN(C1)C(=O)Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)cc1F |r|
Fc1cc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)ccc1CC(=O)N1CCCCC1 |r|
CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
CC1(CC1)OC(=O)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1cc(F)c(CC(=O)N2CCC2)c(F)c1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)NC2CC2)cc1 |r|
Fc1cc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)ccc1CC(=O)N1CCC1 |r|
C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N
CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 |r|
Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2ccccc2o1)-n1nccn1 |r|
CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F
C[C@@]1(CCC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
CC(C)[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
C[C@]1(CC[C@@](C)(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r,wU:4.8,1.41,(41.47,-42.39,;39.94,-42.39,;40.76,-41.1,;40.05,-39.72,;38.52,-39.67,;39.27,-38.33,;37.69,-40.97,;38.4,-42.32,;37.78,-38.31,;38.7,-37.05,;37.78,-35.8,;38.26,-34.34,;39.78,-34.03,;40.25,-32.56,;39.21,-31.41,;37.7,-31.74,;37.23,-33.2,;39.69,-29.95,;38.66,-28.81,;41.2,-29.62,;41.68,-28.16,;40.64,-27.02,;41.11,-25.56,;42.62,-25.23,;43.65,-26.38,;43.18,-27.85,;40.08,-24.42,;39.13,-23.38,;40.31,-22.83,;38.47,-24.51,;36.32,-36.28,;34.99,-35.5,;34.99,-33.96,;33.66,-36.28,;33.66,-37.82,;34.99,-38.59,;36.32,-37.82,;40.65,-43.76,;39.83,-45.05,;42.19,-43.82,)|
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r|
C[C@@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
[H][C@@]12COc3cc(C4=CCN(CC4)C(=O)CO)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r,t:7|
CON(C)C(=O)Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ncco2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
Cc1cc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)no1 |r|
Cc1noc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)n1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cnoc2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
Cc1noc(C)c1Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
Cn1ncnc1Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccccc2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccccc2OC(F)F)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccc(OC(F)F)c2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccc(OC(F)F)cc2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccc(F)c(F)c2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccnc2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccncc2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
Cc1ccc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)cn1 |r|
Cc1cc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)ccn1 |r|
OCC(O)CO[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(F)c(F)c1 |r|
COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1 |r|
COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1c[nH]c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1c[nH]c2cccc(Cl)c12)C1CC1)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1c[nH]c2cccc(Br)c12)C1CC1)c1ccc(F)c(F)c1 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
COCCCc1ccc(F)c2c(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c[nH]c12 |r|
COCCCc1ccc(F)c2c(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)cn(CCCOC)c12 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CCC#N)c12 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CS(C)(=O)=O)c12 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CN3CCOCC3)c12 |r|
COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(Cn3ccnc3)c12 |r|
CONC(=O)Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
COCCCc1cc(CN(C2CC2)C(=O)C2CNCCC2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1
Cc1nc2cn(Cc3ccccc3)cc2c(c1CN)-c1ccc(Cl)cc1Cl |(20.7,-21.4,;19.37,-22.18,;18.03,-21.41,;16.7,-22.18,;15.23,-21.7,;14.32,-22.95,;12.78,-22.95,;12.01,-21.61,;12.79,-20.29,;12.03,-18.95,;10.48,-18.95,;9.71,-20.29,;10.48,-21.62,;15.23,-24.2,;16.7,-23.73,;18.04,-24.5,;19.37,-23.73,;20.71,-24.49,;22.04,-23.72,;18.04,-26.03,;16.7,-26.8,;16.7,-28.34,;18.04,-29.11,;18.04,-30.65,;19.37,-28.33,;19.37,-26.8,;20.7,-26.02,)|
Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN
Cc1nc2C(=O)N(CCO)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(33.04,-6.63,;31.71,-7.41,;30.38,-6.64,;29.05,-7.42,;27.58,-6.94,;27.11,-5.47,;26.68,-8.18,;25.14,-8.19,;24.38,-9.52,;25.15,-10.85,;27.58,-9.43,;29.05,-8.96,;30.38,-9.73,;31.72,-8.96,;33.05,-9.72,;34.38,-8.95,;30.38,-11.26,;29.05,-12.03,;29.04,-13.57,;30.38,-14.34,;30.38,-15.88,;31.72,-13.56,;31.71,-12.03,;33.04,-11.25,)|
Cc1nc2C(=O)N(CC(O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(17.03,-6.22,;15.7,-6.99,;14.36,-6.23,;13.03,-7.01,;11.57,-6.53,;11.1,-5.06,;10.66,-7.77,;9.13,-7.77,;8.36,-9.11,;9.13,-10.44,;6.82,-9.11,;11.57,-9.02,;13.03,-8.54,;14.37,-9.32,;15.7,-8.54,;17.04,-9.31,;18.37,-8.54,;14.37,-10.85,;13.03,-11.62,;13.03,-13.16,;14.36,-13.93,;14.37,-15.47,;15.7,-13.15,;15.7,-11.62,;17.03,-10.84,)|
Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN
Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(14.01,-46.7,;12.68,-47.48,;11.34,-46.71,;10.02,-47.49,;8.55,-47.01,;8.08,-45.55,;7.65,-48.25,;6.11,-48.26,;5.34,-49.59,;6.12,-50.92,;3.8,-49.59,;3.04,-50.93,;1.5,-50.93,;.74,-52.26,;-.8,-52.27,;-1.58,-50.93,;-.81,-49.6,;.73,-49.59,;8.55,-49.5,;10.01,-49.03,;11.35,-49.8,;12.68,-49.03,;14.02,-49.79,;15.35,-49.02,;11.35,-51.33,;10.01,-52.1,;10.01,-53.64,;11.35,-54.41,;11.35,-55.95,;12.69,-53.64,;12.68,-52.1,;14.01,-51.33,)|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)cnc3oc12 |r|
OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
OC(COc1ccc(F)cc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1
CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc2nnc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
COc1cc2n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c(=O)ccc2cn1
COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
COc1ncc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
COc1ncc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
COc1ccc2c(C)nc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
COc1ccc2c(C)cc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
COc1ccc2COC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
COc1ccc2CCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
COc1ccc2SCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
O=C1COc2ccccc2N1CCN1CCC(CC1)NCc1cc2OCCOc2cn1
COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1
COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(c1)C(F)(F)F |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccccc2)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)c3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCCc3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC=Cc3ccccc23)cc(OCCOC)c1 |r,c:24|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)Cc3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)cc(OCCOC)c1 |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccccc3Cl)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccc(Cl)cc3Cl)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F |r|
Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r|
Cc1c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)cccc1C(F)(F)F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r|
COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4ccccc34)C3CC3)c2cc1F |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r|
COCCCc1cccc2cccc(CN(C3CC3)C(=O)[C@H]3CNCC[C@@]33OCc4cc(F)c(F)cc34)c12 |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3nccc4ccccc34)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccnc4ccccc34)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4cccnc34)C3CC3)c2cc1F |r|
Fc1cc2C(=O)O[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r|
COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r|
COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N
COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:16.19,wD:13.12,(-8.82,3.54,;-8.82,2,;-7.48,1.23,;-7.49,-.32,;-6.15,-1.09,;-4.82,-.31,;-3.48,-1.07,;-2.15,-.3,;-2.16,1.25,;-3.49,2.01,;-3.5,3.55,;-2.17,4.33,;-2.18,5.87,;-.84,3.56,;-.84,2.02,;.49,1.26,;1.83,2.03,;1.82,3.57,;.49,4.34,;3.16,1.26,;4.5,2.03,;5.83,1.26,;5.82,-.27,;7.16,-1.04,;8.49,-.27,;9.82,-1.04,;11.16,-.27,;11.16,1.28,;9.82,2.06,;8.48,1.28,;7.15,2.04,;-4.82,1.24,;-6.16,2,)|
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:17.20,13.13,wD:13.12,(12.67,4.24,;12.67,2.7,;14.01,1.93,;14,.38,;15.34,-.39,;16.67,.39,;18.01,-.37,;19.34,.4,;19.33,1.95,;18,2.71,;17.99,4.25,;19.32,5.02,;19.31,6.56,;20.65,4.26,;20.64,5.81,;20.65,2.72,;21.98,1.96,;23.32,2.73,;23.31,4.27,;21.97,5.04,;24.65,1.96,;25.98,2.73,;27.32,1.96,;28.63,2.74,;29.97,1.98,;31.3,2.76,;32.65,1.98,;32.65,.43,;31.31,-.34,;29.97,.43,;28.64,-.34,;27.31,.43,;16.67,1.93,;15.34,2.7,)|
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2n1 |r,wU:17.20,13.13,wD:13.12,(12.52,-6.31,;12.52,-7.85,;13.85,-8.62,;13.85,-10.16,;15.18,-10.93,;16.52,-10.15,;17.85,-10.92,;19.19,-10.15,;19.18,-8.6,;17.84,-7.84,;17.83,-6.3,;19.16,-5.52,;19.15,-3.98,;20.5,-6.28,;20.49,-4.74,;20.5,-7.83,;21.83,-8.59,;23.16,-7.82,;23.16,-6.28,;21.82,-5.51,;24.5,-8.59,;25.83,-7.81,;27.16,-8.58,;27.16,-10.12,;28.49,-10.89,;29.82,-10.12,;31.16,-10.89,;32.5,-10.12,;32.5,-8.57,;31.15,-7.79,;29.82,-8.57,;28.48,-7.81,;16.51,-8.61,;15.18,-7.85,)|
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cnc4OCCOc4c3)c2n1 |r,wU:17.20,13.13,wD:13.12,(-9.68,-15.63,;-9.68,-17.17,;-8.34,-17.94,;-8.35,-19.49,;-7.01,-20.26,;-5.68,-19.48,;-4.35,-20.25,;-3.01,-19.47,;-3.02,-17.92,;-4.36,-17.16,;-4.36,-15.62,;-3.04,-14.85,;-3.04,-13.31,;-1.7,-15.61,;-1.71,-14.06,;-1.7,-17.15,;-.37,-17.91,;.96,-17.14,;.96,-15.6,;-.38,-14.83,;2.3,-17.91,;3.63,-17.14,;4.97,-17.91,;4.96,-19.45,;6.29,-20.21,;7.62,-19.44,;8.95,-20.21,;10.3,-19.44,;10.29,-17.89,;8.95,-17.11,;7.62,-17.89,;6.28,-17.13,;-5.68,-17.94,;-7.02,-17.17,)|
COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:16.19,wD:13.12,(12.98,-16.21,;12.98,-17.75,;14.31,-18.52,;14.31,-20.07,;15.65,-20.84,;16.98,-20.06,;18.31,-20.83,;19.65,-20.05,;19.64,-18.5,;18.3,-17.74,;18.3,-16.2,;19.63,-15.43,;19.62,-13.89,;20.96,-16.19,;20.96,-17.73,;22.29,-18.5,;23.63,-17.73,;23.62,-16.18,;22.28,-15.41,;24.96,-18.49,;26.29,-17.72,;27.63,-18.49,;28.95,-17.71,;30.28,-18.47,;31.61,-17.69,;32.96,-18.47,;32.96,-20.02,;31.62,-20.79,;30.28,-20.03,;28.95,-20.79,;27.62,-20.03,;16.98,-18.52,;15.64,-17.75,)|
COc1cc(F)c2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2c1 |r,wU:18.21,14.14,wD:14.13,(-8.8,-25.18,;-8.8,-26.72,;-7.47,-27.49,;-7.47,-29.03,;-6.14,-29.8,;-6.13,-31.34,;-4.8,-29.02,;-3.47,-29.79,;-2.13,-29.02,;-2.14,-27.47,;-3.48,-26.71,;-3.49,-25.17,;-2.16,-24.39,;-2.17,-22.85,;-.82,-25.15,;-.83,-23.61,;-.82,-26.7,;.51,-27.46,;1.84,-26.69,;1.84,-25.15,;.5,-24.37,;3.18,-27.46,;4.51,-26.68,;5.85,-27.45,;7.16,-26.68,;8.5,-27.44,;9.83,-26.66,;11.18,-27.43,;11.18,-28.98,;9.84,-29.76,;8.5,-28.99,;7.17,-29.76,;5.84,-28.99,;-4.81,-27.48,;-6.14,-26.72,)|
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2c1 |r,wU:17.20,13.13,wD:13.12,(13.81,-25.76,;13.81,-27.3,;15.14,-28.07,;15.14,-29.61,;16.47,-30.39,;17.81,-29.61,;19.14,-30.37,;20.48,-29.6,;20.47,-28.05,;19.13,-27.29,;19.12,-25.75,;20.45,-24.97,;20.44,-23.43,;21.79,-25.74,;21.78,-24.19,;21.79,-27.28,;23.12,-28.04,;24.45,-27.27,;24.45,-25.73,;23.11,-24.96,;25.79,-28.04,;27.12,-27.27,;28.46,-28.03,;29.77,-27.26,;31.11,-28.02,;32.44,-27.24,;33.79,-28.02,;33.79,-29.57,;32.45,-30.34,;31.11,-29.57,;29.78,-30.34,;28.45,-29.57,;17.8,-28.06,;16.47,-27.3,)|
Cc1ccc2cccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:16.19,12.12,wD:12.11,(-9.49,-37.1,;-8.16,-37.87,;-8.16,-39.41,;-6.83,-40.18,;-5.49,-39.4,;-4.16,-40.17,;-2.83,-39.4,;-2.83,-37.85,;-4.17,-37.09,;-4.18,-35.55,;-2.85,-34.77,;-2.86,-33.23,;-1.51,-35.53,;-1.52,-33.99,;-1.51,-37.08,;-.18,-37.84,;1.15,-37.07,;1.15,-35.53,;-.19,-34.76,;2.49,-37.84,;3.82,-37.07,;5.15,-37.83,;6.47,-37.06,;7.8,-37.82,;9.14,-37.04,;10.48,-37.82,;10.49,-39.37,;9.14,-40.14,;7.81,-39.37,;6.48,-40.14,;5.14,-39.37,;-5.5,-37.86,;-6.83,-37.1,)|
COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
COc1ccc2ncc(Cl)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
COc1ccc2ncc(F)c([C@@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1 |r|
COc1ccc2ncc(F)c(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2n1 |r|
COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5
COc1ccc2nccc([C@@H](O)CN3CCC(CC3)NCc3ccc4OCCOc4c3)c2c1 |r|
COc1ccc2nccc([C@@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1 |r|
COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
COc1ccc2ncc(C#N)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
COc1ccc2ncc(F)c([C@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1 |r|
COc1ccc2ncc(F)c(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@@H](O)C3)c2n1 |r|
COc1ccc2ncc(F)c(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2n1 |r|
OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|
CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC1
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1 |r,t:18|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C(C)(C)C1 |r,t:18|
O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
CCN(CC)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCCCC3)C2)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCOCC3)C2)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1
OCCN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r|
C(Cn1c(nc2ccccc12)C1CCCNC1)Oc1ccccc1
C(Cn1c(nc2ccccc12)C1CCCN(Cc2ncco2)C1)Oc1ccccc1
CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCO2)cc1C
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1
CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F
CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)(F)F
CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1
COCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CCO |r|
COCCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CCCO |r|
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCOCC1 |r|
COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC
O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NC2CCCS(=O)(=O)C2)cc1 |r,wU:1.0,wD:1.10,(7.27,-37.19,;7.29,-35.67,;7.26,-34.14,;8.58,-33.36,;10.7,-33.79,;10.73,-35.96,;8.61,-36.41,;9.9,-35.63,;9.88,-34.12,;5.98,-36.45,;4.64,-37.21,;3.3,-37.97,;1.97,-37.19,;.63,-37.95,;.62,-39.49,;-.72,-40.25,;-2.05,-39.48,;-2.04,-37.94,;-3.36,-37.16,;-4.71,-37.93,;-4.71,-39.48,;-3.38,-40.25,;-6.04,-37.15,;-6.03,-35.61,;-7.38,-37.92,;-8.71,-37.14,;-8.7,-35.6,;-10.03,-34.82,;-11.37,-35.58,;-11.38,-37.13,;-12.16,-38.46,;-12.94,-37.12,;-10.05,-37.91,;1.96,-40.27,;3.29,-39.51,)|
CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)|
CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
Fc1ccc(CN2CCN(CC2)[C@H](c2ccc(cc2)C(=O)N2CCC2)c2cccc(NC(=O)C3CC3)c2)cc1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2nc(C)cs2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCOC)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCCOC)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)C2CCC2)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cncs2)CC1)c1cccc(NC(=O)OC)c1 |r|
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)OC)c1 |r|
CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
CCOC(=O)Nc1ccc(cc1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2[nH]cnc2C)CC1)c1ccc(cc1)C(=O)N(C)CC |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cnc(C)[nH]2)CC1)c1ccc(cc1)C(=O)N(C)CC |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccc(NC(=O)OC)c1 |r|
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cccnc2)CC1)c1ccc(cc1)C(=O)N1CCC1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccnc1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1 |r|
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1ccccn1 |r|
CCCCCCCSc1nc(N)cc(=O)[nH]1
CC(C)(C)c1ccc(CSc2nc(N)cc(=O)[nH]2)cc1
Cn1c(SCc2ccc(cc2)C(C)(C)C)nc(N)cc1=O
[O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(OC(F)(F)F)cc1 |r|
[O-][N+](=O)c1cn2C[C@@H](COc2n1)OC(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1 |r|
Cc1c(F)cc(cc1-c1cc2nnc(-c3c(F)cccc3Cl)n2n(C)c1=O)C(=O)NC1CC1 |(-5.99,4.05,;-4.45,4.05,;-3.68,5.37,;-4.44,6.71,;-2.13,5.36,;-1.37,4.02,;-2.15,2.7,;-3.69,2.71,;-4.47,1.39,;-6.02,1.4,;-6.8,.07,;-8.31,-.24,;-8.48,-1.77,;-7.08,-2.41,;-7.09,-3.95,;-5.76,-4.72,;-4.42,-3.95,;-5.76,-6.27,;-7.1,-7.03,;-8.43,-6.25,;-8.42,-4.71,;-9.75,-3.93,;-6.03,-1.28,;-4.49,-1.29,;-3.74,-2.63,;-3.71,.04,;-2.17,.03,;.17,4.01,;.95,5.33,;.93,2.67,;2.47,2.65,;3.79,1.86,;3.8,3.4,)|
CCn1n2c(nnc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl |(19.78,-19.74,;18.24,-19.73,;17.49,-18.38,;15.95,-18.37,;14.9,-19.5,;13.5,-18.86,;13.67,-17.33,;15.18,-17.03,;15.96,-15.69,;17.51,-15.71,;18.29,-14.38,;19.83,-14.4,;20.61,-13.07,;19.85,-11.73,;18.3,-11.72,;17.53,-13.05,;15.99,-13.04,;22.15,-13.09,;22.93,-11.76,;22.91,-14.43,;24.45,-14.44,;25.77,-15.23,;25.78,-13.69,;18.27,-17.05,;19.81,-17.07,;14.89,-21.04,;16.22,-21.82,;17.56,-21.05,;16.22,-23.37,;14.88,-24.13,;13.55,-23.35,;13.56,-21.8,;12.23,-21.03,)|
CCn1n2c(nnc2cc(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl |(-1.33,-50.07,;-2.87,-50.05,;-3.63,-48.71,;-5.17,-48.7,;-6.22,-49.83,;-7.62,-49.19,;-7.44,-47.66,;-5.93,-47.35,;-5.16,-46.02,;-3.61,-46.03,;-2.82,-44.71,;-1.29,-44.72,;-.51,-43.4,;-1.27,-42.06,;-2.81,-42.05,;-3.58,-40.71,;-3.59,-43.37,;-5.13,-43.37,;1.03,-43.41,;1.81,-42.09,;1.79,-44.75,;3.33,-44.77,;4.65,-45.56,;4.67,-44.02,;-2.84,-47.38,;-1.3,-47.39,;-6.22,-51.37,;-4.89,-52.14,;-3.56,-51.37,;-4.9,-53.69,;-6.24,-54.45,;-7.57,-53.67,;-7.56,-52.13,;-8.89,-51.35,)|
Cc1cccnc1-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1cccc(n1)-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
O=c1cc(cn[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccn1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1ccccn1
[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1ccccn1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccn1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccnc1
[#6]-[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccc1-[#7]-[#6](-[#6])=O
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](-[#6])=O)c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccc(-[#7]-[#6](-[#6])=O)cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccc1-[#7]-[#6](=O)-[#8]-[#6]
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](=O)-[#8]-[#6])c1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccc(-[#7]-[#6](=O)-[#8]-[#6])cc1
C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N
Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:17.21,7.8,(-10.43,2.36,;-8.89,2.39,;-8.15,3.74,;-6.61,3.78,;-5.81,2.46,;-6.55,1.1,;-8.1,1.07,;-4.27,2.5,;-5.05,3.84,;-3.46,1.18,;-1.93,1.21,;-1.18,2.56,;-1.98,3.88,;-3.53,3.85,;.36,2.59,;1.28,1.37,;2.73,1.87,;2.7,3.41,;1.23,3.86,;4.03,4.2,;5.37,3.45,;5.39,1.91,;6.7,4.23,;8.04,3.48,;9.36,4.27,;9.34,5.81,;10.71,3.51,;10.72,1.97,;12.06,1.22,;13.38,2.01,;13.36,3.55,;12.02,4.3,;14.68,4.35,;16.03,3.6,;14.66,5.89,;16.01,5.13,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccn1 |r,wU:4.7,wD:10.13,1.0,(-5.87,-4.88,;-5.09,-6.22,;-4.29,-7.54,;-2.75,-7.5,;-2.01,-6.16,;-2.81,-4.84,;-4.35,-4.87,;-.47,-6.13,;.45,-7.35,;1.91,-6.85,;1.88,-5.31,;.41,-4.86,;3.2,-4.52,;4.55,-5.27,;4.57,-6.81,;5.87,-4.49,;7.21,-5.24,;8.54,-4.45,;8.52,-2.91,;9.88,-5.21,;9.89,-6.75,;11.23,-7.5,;12.56,-6.71,;12.53,-5.16,;11.19,-4.42,;13.86,-4.37,;15.2,-5.12,;13.83,-2.83,;15.18,-3.59,;-6.63,-6.26,;-7.43,-4.94,;-8.97,-4.97,;-9.72,-6.33,;-8.92,-7.64,;-7.38,-7.62,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnc1 |r,wU:4.7,wD:10.13,1.0,(-5.98,-12.63,;-5.2,-13.97,;-4.4,-15.29,;-2.86,-15.26,;-2.12,-13.91,;-2.92,-12.59,;-4.46,-12.62,;-.58,-13.88,;.35,-15.1,;1.8,-14.6,;1.77,-13.06,;.3,-12.61,;3.09,-12.27,;4.44,-13.03,;4.46,-14.57,;5.76,-12.24,;7.1,-12.99,;8.43,-12.21,;8.41,-10.67,;9.77,-12.96,;9.78,-14.5,;11.12,-15.25,;12.45,-14.47,;12.43,-12.92,;11.08,-12.17,;13.75,-12.13,;15.09,-12.88,;13.72,-10.59,;15.07,-11.35,;-6.74,-14.01,;-7.54,-12.7,;-9.08,-12.73,;-9.83,-14.08,;-9.03,-15.4,;-7.49,-15.37,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccncc1 |r,wU:4.7,wD:10.13,1.0,(-5.8,-20.26,;-5.02,-21.6,;-4.22,-22.92,;-2.68,-22.89,;-1.94,-21.54,;-2.74,-20.22,;-4.28,-20.25,;-.4,-21.51,;.52,-22.73,;1.98,-22.23,;1.95,-20.69,;.48,-20.24,;3.27,-19.9,;4.62,-20.66,;4.64,-22.2,;5.94,-19.87,;7.28,-20.62,;8.61,-19.84,;8.59,-18.3,;9.95,-20.59,;9.96,-22.13,;11.3,-22.88,;12.63,-22.1,;12.6,-20.55,;11.26,-19.8,;13.93,-19.76,;15.27,-20.51,;13.9,-18.22,;15.25,-18.98,;-6.56,-21.64,;-7.36,-20.33,;-8.9,-20.36,;-9.65,-21.71,;-8.85,-23.03,;-7.31,-23,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ncccn1 |r,wU:4.7,wD:10.13,1.0,(-5.61,-27.39,;-4.83,-28.74,;-4.02,-30.05,;-2.49,-30.02,;-1.74,-28.67,;-2.54,-27.35,;-4.09,-27.38,;-.2,-28.64,;.72,-29.87,;2.17,-29.36,;2.14,-27.82,;.67,-27.38,;3.47,-27.04,;4.81,-27.79,;4.83,-29.33,;6.14,-27,;7.48,-27.76,;8.8,-26.97,;8.78,-25.43,;10.15,-27.72,;10.16,-29.26,;11.5,-30.02,;12.82,-29.23,;12.8,-27.68,;11.46,-26.93,;14.12,-26.89,;15.47,-27.64,;14.1,-25.35,;15.45,-26.11,;-6.37,-28.77,;-7.17,-27.46,;-8.71,-27.49,;-9.45,-28.84,;-8.66,-30.16,;-7.11,-30.13,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccncn1 |r,wU:4.7,wD:10.13,1.0,(-5.51,-34.96,;-4.74,-36.3,;-3.93,-37.62,;-2.4,-37.59,;-1.65,-36.24,;-2.45,-34.92,;-3.99,-34.95,;-.11,-36.21,;.81,-37.43,;2.27,-36.93,;2.24,-35.39,;.76,-34.94,;3.56,-34.6,;4.9,-35.36,;4.92,-36.9,;6.23,-34.57,;7.57,-35.32,;8.9,-34.54,;8.88,-33,;10.24,-35.29,;10.25,-36.83,;11.59,-37.58,;12.92,-36.8,;12.89,-35.25,;11.55,-34.5,;14.21,-34.46,;15.56,-35.21,;14.19,-32.92,;15.54,-33.68,;-6.28,-36.34,;-7.08,-35.03,;-8.61,-35.06,;-9.36,-36.41,;-8.56,-37.73,;-7.02,-37.7,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnn1 |r,wU:4.7,wD:10.13,1.0,(-4.96,2.61,;-4.18,1.27,;-3.38,-.05,;-1.84,-.01,;-1.1,1.33,;-1.9,2.65,;-3.44,2.62,;.44,1.36,;1.36,.14,;2.82,.64,;2.79,2.18,;1.32,2.63,;4.11,2.97,;5.46,2.22,;5.48,.68,;6.78,3,;8.12,2.25,;9.45,3.04,;9.43,4.58,;10.79,2.28,;10.8,.74,;12.14,-.01,;13.47,.78,;13.44,2.33,;12.1,3.07,;14.77,3.12,;16.11,2.37,;14.74,4.66,;16.09,3.9,;-5.72,1.23,;-6.52,2.55,;-8.06,2.52,;-8.81,1.16,;-8.01,-.15,;-6.47,-.13,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccnnc1 |r,wU:4.7,wD:10.13,1.0,(-4.71,-6.18,;-3.93,-7.52,;-3.12,-8.84,;-1.59,-8.8,;-.84,-7.46,;-1.64,-6.14,;-3.18,-6.17,;.7,-7.43,;1.62,-8.65,;3.08,-8.14,;3.05,-6.61,;1.57,-6.16,;4.37,-5.82,;5.71,-6.57,;5.73,-8.11,;7.04,-5.79,;8.38,-6.54,;9.7,-5.75,;9.69,-4.21,;11.05,-6.51,;11.06,-8.04,;12.4,-8.8,;13.73,-8.01,;13.7,-6.46,;12.36,-5.72,;15.02,-5.67,;16.37,-6.42,;15,-4.13,;16.35,-4.89,;-5.47,-7.55,;-6.27,-6.24,;-7.8,-6.27,;-8.55,-7.62,;-7.75,-8.94,;-6.21,-8.91,)|
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cnccn1 |r,wU:4.7,wD:10.13,1.0,(-5.05,-16.35,;-4.27,-17.69,;-3.46,-19.01,;-1.93,-18.98,;-1.18,-17.63,;-1.98,-16.31,;-3.53,-16.34,;.36,-17.6,;1.28,-18.82,;2.73,-18.32,;2.7,-16.78,;1.23,-16.33,;4.03,-15.99,;5.37,-16.75,;5.39,-18.29,;6.7,-15.96,;8.04,-16.71,;9.36,-15.93,;9.34,-14.39,;10.71,-16.68,;10.72,-18.22,;12.06,-18.97,;13.38,-18.18,;13.36,-16.64,;12.02,-15.89,;14.68,-15.85,;16.03,-16.59,;14.66,-14.31,;16.01,-15.07,;-5.81,-17.73,;-6.61,-16.41,;-8.15,-16.45,;-8.89,-17.8,;-8.1,-19.12,;-6.55,-19.09,)|
Cc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:17.21,7.8,(-9.17,-25.25,;-7.63,-25.22,;-6.89,-23.87,;-5.35,-23.83,;-4.55,-25.15,;-5.29,-26.51,;-6.84,-26.54,;-3.01,-25.11,;-3.79,-23.77,;-2.2,-26.43,;-.67,-26.4,;.08,-25.05,;-.72,-23.73,;-2.27,-23.76,;1.62,-25.02,;2.54,-26.24,;3.99,-25.74,;3.96,-24.2,;2.49,-23.75,;5.29,-23.41,;6.63,-24.17,;6.65,-25.71,;7.96,-23.38,;9.3,-24.13,;10.62,-23.35,;10.6,-21.81,;11.97,-24.1,;11.98,-25.64,;13.32,-26.39,;14.64,-25.6,;14.62,-24.06,;13.28,-23.31,;15.94,-23.27,;17.29,-24.01,;15.92,-21.73,;17.27,-22.49,)|
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:12.16,wD:18.22,8.9,(-10.53,-32.06,;-9.74,-33.38,;-8.2,-33.35,;-7.45,-32,;-5.92,-31.97,;-5.12,-33.28,;-5.86,-34.64,;-7.4,-34.67,;-3.58,-33.25,;-4.36,-31.9,;-2.77,-34.56,;-1.24,-34.53,;-.49,-33.18,;-1.29,-31.87,;-2.83,-31.89,;1.05,-33.15,;1.97,-34.38,;3.43,-33.87,;3.4,-32.33,;1.92,-31.89,;4.72,-31.55,;6.06,-32.3,;6.08,-33.84,;7.39,-31.51,;8.73,-32.27,;10.05,-31.48,;10.04,-29.94,;11.4,-32.23,;11.41,-33.77,;12.75,-34.53,;14.08,-33.74,;14.05,-32.19,;12.71,-31.45,;15.37,-31.4,;16.72,-32.15,;15.35,-29.86,;16.7,-30.62,)|
CCOc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:13.17,wD:19.23,9.10,(-12.06,-40.23,;-10.52,-40.2,;-9.72,-41.52,;-8.18,-41.49,;-7.44,-40.14,;-5.9,-40.1,;-5.1,-41.42,;-5.85,-42.78,;-7.39,-42.81,;-3.56,-41.38,;-4.34,-40.04,;-2.75,-42.7,;-1.22,-42.67,;-.48,-41.32,;-1.27,-40,;-2.82,-40.03,;1.06,-41.29,;1.99,-42.51,;3.44,-42.01,;3.41,-40.47,;1.94,-40.02,;4.74,-39.68,;6.08,-40.44,;6.1,-41.98,;7.4,-39.65,;8.75,-40.4,;10.07,-39.62,;10.05,-38.08,;11.41,-40.37,;11.42,-41.91,;12.77,-42.66,;14.09,-41.88,;14.07,-40.33,;12.72,-39.58,;15.39,-39.54,;16.73,-40.28,;15.36,-38,;16.71,-38.76,)|
COc1cc(\C=C2/CCCN3C2=NO[C@]3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1 |r,t:12|
COc1cc(\C=C2/CCCN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 |t:12|
COc1cc(\C=C2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 |r|
COc1cc(\C=C2/CCCN3[C@H](CON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 |r,t:14|
COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c1=O |r|
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Cn1c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c(=O)n(Cc2nccc3ccccc23)c1=O |r|
[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1c(=O)n(-[#6])c2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O |r|
Cn1c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c(=O)n(C)c1=O |r|
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3cnc4ccccc4n3)c(=O)c12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nc(-[#6])c4ccccc4n3)c(=O)c12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3ncccc3C#N)c(=O)c12 |r|
CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12 |r|
COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r|
CC#CCn1c(N2CCC[C@@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12 |r|
[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1c(=O)n(-[#6])c2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O
CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3cn4ccccc4n3)c(=O)c12
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nc(-[#6])c4ccccc4n3)c(=O)c12
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3ncc4ccccc4c3C#N)c(=O)c12
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3c(cnc4ccccc34)C#N)c(=O)c12
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3c(cnc4ccccc34)C#N)c(=O)c12
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3ncc4ccccc4c3C#N)c(=O)c12
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3ccnc4ccccc34)c(=O)c12 |r|
Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
COc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C
CCCOc1sc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c(C)c1Br
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(C)cc(C)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(Cl)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](N2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)CC(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CCC(N2CCN(CC2)c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CCN(C1CCN(CCC(N2CCN(CC2)c2cccc(F)c2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CCN(C1CCN(CCC(N2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(OC)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(9.73,-11.78,;8.95,-13.11,;8.19,-11.77,;7.7,-14.01,;6.2,-13.68,;5.16,-14.83,;5.64,-16.29,;7.13,-16.62,;8.17,-15.48,;9.71,-15.48,;10.72,-16.64,;12.24,-16.34,;12.73,-14.89,;11.72,-13.72,;10.21,-14.03,;14.25,-14.59,;15.21,-15.86,;16.72,-15.87,;17.72,-14.73,;17.48,-13.28,;16.07,-12.5,;14.65,-13.09,;15.41,-14.42,;16.75,-13.64,)|
CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1
CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1
CC1CCN(CC1)C(=O)c1ccc2n(C)c3CCN(Cc3c2c1)C1CCOCC1
Cn1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCCCC1)C1CCOCC1
O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)nc1
C[C@H]1CC(=O)NN=C1c1ccc(OC2CCN(CC2)C2CCC2)cc1 |r,c:6|
CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 |c:4|
CN[C@H]1CC[C@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;12.65,-1.76,;12.65,-.21,;11.31,.55,;9.98,-.22,;9.98,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)|
CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r|
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(Cl)c1 |r|
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r|
CCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r|
COC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r|
CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 |r|
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c(C)c1 |r|
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OC(=O)c3cc(F)c(F)cc23)c(C)c1 |r|
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c(C)c1 |r|
COCC(F)(F)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r|
COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O |r|
CC(=O)NCCc1ccccc1-c1ccc([C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 |r|
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3cccc(n3)-c3nnc(C)o3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ccccn3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC4CC4)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3cccc(n3)-c3nc(C)no3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC)n3)CC2)N1)[C@H](O)c1ccccc1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(cn1)C#N |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)S(C)(=O)=O)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r|
Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C2)c2ccc(cn2)C#N)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cncc(c2)C#N)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)C#N)CC1 |r|
COc1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)C(C)(C)O)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(nc2)S(C)(=O)=O)CC1 |r|
CCS(=O)(=O)c1cnc(cn1)N1CC2(CC1=O)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r|
CSc1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
C[S+]([O-])c1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Cc1nc(ccc1S(C)(=O)=O)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1 |r|
CN(C)C(=O)c1cccc(c1)-c1ccccc1CC(c1cccnc1)c1cccnc1
Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1
Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1Cl
OC(Cc1cccnc1-c1cccc(c1)C(F)(F)F)(c1cccnc1F)c1cccnc1F
Clc1cccc(-c2cccc(c2)C#N)c1CC(c1cccnc1)c1cccnc1
Nc1cccc(n1)C(Cc1cccnc1-c1cccc(c1)C(F)(F)F)c1cccnc1
FC(F)(F)Oc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cncc2ccccc12
O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cccc(c1)C(F)(F)F |r|
C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cccnc1
Cc1cc(F)ccc1-c1ccccc1C(C#N)C(c1cccnc1)c1cccnc1
CS(=O)(=O)Nc1cccc(c1)-c1cc(F)ccc1CC(c1cccnc1)c1cccnc1
C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1ccccc1
Fc1ccc(CC(c2cccnc2)c2cccnc2)c(c1)-c1cccc(c1)C(F)(F)F
CC(=O)NC(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cc(Cl)cc(Cl)c1
CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1 |r|
Clc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Nc1cccc(n1)C(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)c1cccnc1
OC(C(c1cccnc1)c1cccnc1)c1cccnc1-c1cccc(Cl)c1
C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1ccncc1
Nc1cccc(n1)C(C(O)c1cccnc1-c1cc(Cl)cc(Cl)c1)c1cccnc1
CN(C)C(=O)c1cccc(c1)-c1ncccc1CC(c1ccnc(N)n1)c1cccnc1F
OC(C(c1ncco1)c1cccnc1)c1cccnc1-c1cccc(Cl)c1
OC(C(c1cccnc1)c1ccccn1)c1cccnc1-c1cc(Cl)cc(Cl)c1
OC(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1cccnc1)c1cccnc1
FC(F)(F)c1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
OC(C(c1cccnc1)c1cccnc1)c1cccnc1-c1ccccc1Cl
Fc1ccc(CC(c2cccnc2)c2cccnc2)c(c1)-c1cccc(c1)C#N
CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1
CN(C)C(=O)c1cccc(c1)-c1ccc(F)cc1CC(c1cccnc1)c1cccnc1
COc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|
COC(=O)N[C@@H]1CC(C)(C)c2ccc(Nc3nc(NCC(F)F)c4occc4n3)cc2NC1=O |r|
Cc1[nH]c(C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1NC(=O)[C@H]1CCCN1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16|
Fc1ccc(cc1)N1CC(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
COC(=O)c1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
CCC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
CCC(CC)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
CC(C)(C)c1ccc2n(ccc2c1)-c1ccc(F)cc1
CC(C)(O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Clc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccccc1
CC(C)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
OC(=O)Cc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Fc1ccc(cc1)-n1cc(C2CCNCC2)c2cc(Cl)ccc12
CC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
CC(O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
CCC(O)(CC)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
OC(=O)c1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=S)CC2)c2ccccc12
CCC(O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Fc1ccc(cc1)-n1cc(C2=CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 |t:11|
CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Clc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)C1CCCCC1
COC(=O)Cc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)C3CCc4cc(ccc4C3)C#N)CC(O)c2c1
OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C
C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 |r|
CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1
C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
O=C(OC1C[C@@H]2CC3C[C@@H](C1)N2CC3=O)C1CNc2ccccc12 |wD:9.11,5.12,TLB:14:13:5.6:9.8,12:11:3.4.10:7.6.8,(.12,-10.83,;.12,-9.28,;1.46,-8.5,;2.81,-9.27,;2.81,-10.81,;4.12,-11.58,;4.12,-10.04,;8.12,-9.28,;6.79,-8.5,;5.46,-9.27,;4.12,-8.5,;5.46,-10.81,;6.79,-11.58,;8.12,-10.83,;9.45,-11.6,;-1.21,-8.51,;-1.37,-6.97,;-2.89,-6.65,;-3.64,-7.98,;-5.14,-8.31,;-5.63,-9.77,;-4.58,-10.92,;-3.09,-10.59,;-2.61,-9.13,)|
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Oc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
COc1ccc(cc1OC)C1CCN(CCC2CCOc3ccccc23)CC1
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N
Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc23)cc1
CN1CCC[C@H]1c1cccnc1 |r|
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
COc1ccc(cc1OC)C1CCN(CC[C@H]2CCOc3ccccc23)CC1 |r|
c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
NC1=NCC2N1c1ccccc1Cc1ccccc21 |t:1|
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1
C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O
C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1
Clc1ccc(Cn2c3sc4CN(CC5CC5)CCc4c3c3ncnn3c2=O)cc1
Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C2COC2)cc1
c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl
COc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2(F)F)cc1
Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1
CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
CN1CCc2c(C1)sc1n(Cc3ccc(Cl)cc3)c(=O)n3ncnc3c21
COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1
CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3
COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O
O=c1n(Cc2ccccc2)c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn12
Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2)cc1
Fc1cc(Cl)ccc1Cn1c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn2c1=O
Clc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F
c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N
Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(N5CCOCC5)c(C)c4)cc3)c12
Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
CCN(CC)Cc1cc(\C=N\N=C(/N)CC(O)c2cc3c(F)cc(F)cc3c3cc(ccc23)C(F)(F)F)ccc1O
CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12
N\C(CC(O)c1cc2c(F)cc(F)cc2c2cc(ccc12)C(F)(F)F)=N/N=C/c1ccc(F)cc1
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC
O=c1c2c([nH]c(Cc3ccc4OCOc4c3)c2oc2ccccc12)-c1nccs1
Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r|
NC(=O)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1
Nc1ncc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
COc1ncc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Oc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
NC(=O)c1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
NC(=O)Nc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
NS(=O)(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CC(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1
NS(=O)(=O)c1ccc(CCNc2nc(nc3cccc(-c4ccccc4)c23)-c2cncnc2)cc1
CC(=O)Nc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
NS(=O)(=O)c1ccncc1-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1
NC(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
FC(F)(F)CNC(=O)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1
CN(C)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1
NS(=O)(=O)c1ncccc1-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12
CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N
CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccnc1 |c:13|
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
COc1cncc(Cc2cc(no2)-c2ccccc2)c1
CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
CN(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO
ONC(=O)CCCCCN1[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc2C1=O
NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18|
Fc1ccc(OCCCNC(=N)Nc2ccc(Cl)cc2)cc1
COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1
Fc1ccc(OCCCNC(=N)Nc2ccc(I)cc2)cc1
N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1 |r,c:4|
Fc1ccc(cc1)C1=CCCNC1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 |t:8|
[H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
[H][C@@]12CN(CC[C@]1([H])Oc1c(NC(=O)C3CC3)cccc1C(=O)N(Cc1ccc(OC)cc1)C2)S(=O)(=O)c1ccc(Cl)cc1 |r|
CN(CC=Cc1ccc(cc1F)C(F)(F)F)Cc1ccc2CCCOc2c1
CN(CC=Cc1ccc2ccccc2c1)Cc1ccc2OCCc2c1
CN(CC=Cc1ccc(cc1)C(F)F)Cc1ccc2OCCc2c1
CN(CC=Cc1ccc(c(F)c1)C(F)(F)F)Cc1ccc2CCCOc2c1
CN(CC=Cc1ccc(cc1)C(F)(F)F)Cc1ccc2CCCCc2c1
CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1
COc1ccc(C=CCN(C)Cc2ccc3CCCOc3c2)c(F)c1
CN(CC=Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCCc2c1
COc1ccc(C=CCN(C)Cc2ccc3CCCCCc3c2)cc1
CN(CC=Cc1ccc(C)cc1)Cc1ccc2CCCOc2c1
CN(CC=Cc1ccc2ccccc2c1)Cc1ccc2CCCOc2c1
COC(=O)c1ccc(C=CCN(C)Cc2ccc3CCCOc3c2)cc1
CN(CC=Cc1ccc(Br)cc1)Cc1ccc2CCCOc2c1
CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1ccc2OCCc2c1
CN(CC=Cc1ccc(cc1)C(F)(F)F)Cc1ccc2CCCOc2c1
CN(CC=CC=Cc1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1
CN(CC=Cc1ccc(cc1)C(F)F)Cc1ccc2CCCOc2c1
CN(CC=Cc1ccc(cc1F)C(F)(F)F)Cc1ccc2OCCc2c1
COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F
COc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1F
Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
COc1ccc(CN(CC(=O)N2CCC(N)CC2)c2ccc(cc2)C#N)cc1F
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1
C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]1(C)CC[C@@]1([H])C(C)(C)C(OCc3ccc(NC(=O)CC[C@H](N)C(=O)OC)cc3)=C(C#N)[C@H](O)[C@]21C)C(=O)OC |r,c:19,t:51|
COc1ccc(\C=C\C(=O)N2CCN(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Cc1ccc(\C=C\C(=O)N2CCN(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Nc1ccccc1NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)\C=C\c1ccc(F)cc1
Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
CCc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r|
CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8
[O-][N+](=O)c1cn2C[C@H](COc2n1)Oc1ccc(OC(F)(F)F)cc1 |r|
C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
Oc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1
COc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1
Cc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1
CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1
c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5
CN(Cc1ccccn1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12
CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC
CN(C)CCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8|
CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
CN(C)CCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12 |r,TLB:12:11:28:7.8,THB:3:5:28:7.8|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13|
CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12
C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1-c1ccccc1)c1nccs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccccc1[N+]([O-])=O)c1nccs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccccc1Cl)c1nccs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=N[C@@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,16|
CCOC(=O)C1=C(CN2CCO[C@H](C)[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,20|
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,19|
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |r,c:5,19|
COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18|
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |r,c:5,19|
CCOC(=O)C1=C(CN2CCOC[C@@H]2C(O)=O)NC(=N[C@@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19|
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19|
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19|
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19|
CCOC(=O)C1=C(CN2CCOCC2CCC(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,21|
CCOC(=O)C1=C(CN2CCOC(CC(O)=O)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
CCOC(=O)C1=C(CN2CCOC(C2)C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19|
CCOC(=O)C1=C(CN2CCOC(CO)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,18|
CCOC(=O)C1=C(CN2CCOCC2CO)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |c:5,18|
CCOC(=O)C1=C(CN2CCOCC2C(=O)NC)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
CCOC(=O)C1=C(CN2CCOCC2C(N)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19|
CCOC(=O)C1=C(CN2CCOCC2C(=O)OC(C)C)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,22|
CCOC(=O)C1=C(CN2CC(C)(C)OCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,21|
CCOC(=O)C1=C(CN2CCO[C@H](C)[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |r,c:5,20|
CCOC(=O)C1=C(CN2CCOCC2C(O)=O)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |c:5,19|
CCOC(=O)C1=C(CN2CCOCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19|
CCOC(=O)C1=C(CN2CCN(C)CC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
CCOC(=O)C1=C(CN2CCCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,18|
CCOC(=O)C1=C(CNC(Cc2ccccc2)C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,22|
CCOC(=O)C1=C(CN2CC[S+]([O-])CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,17|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nc(CC(O)=O)cs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nc(CC(=O)OC)cs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1ncnn1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1cncn1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccn1C |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1cccs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nncs1 |c:5,16|
CCOC(=O)c1c(CN2CCOCC2)nc(nc1-c1ccc(F)cc1Br)-c1nccs1
CCOC(=O)C1=C(CN2CCOC[C@@H]2CCC(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|
CCOC(=O)C1=C(CN2CCO[C@@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|
CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|
CCOC(=O)C1=C(CN2CC(C)(C)OC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|
CCOC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,20|
CCOC(=O)C1=C(CN2CCOC[C@H]2CCC(O)=O)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|
CCOC(=O)C1=C(CN2CCOC[C@H]2CO)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,18|
COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=NC1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18|
CCOC(=O)C1=C(CN2CCOC[C@@H]2C(O)=O)NC(=N[C@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:5,19|
CCOC(=O)C1=C(CN2CCOC(CCC(O)=O)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,21|
CCOC(=O)C1=C(CN2CCOCC2CC(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
CCOC(=O)C1=C(CN2CCOCC2C(=O)NS(C)(=O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,23|
CCOC(=O)C1=C(CN2CCOCC2C(=O)OC)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,20|
CCOC(=O)C1=C(CN)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |c:5,10|
CCOC(=O)C1=C(CN2CCCCC2C(O)=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,19|
CCOC(=O)C1=C(CN2CCS(=O)(=O)CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,18|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ccccn1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1 |c:5,16|
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,16|
CN1Cc2ccccc2[C@@H](N=C1CCc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F |r,c:11|
CN1Cc2ccccc2[C@H](N=C1OCc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 |r,c:11|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r|
Cc1nsc(n1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccns2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccns2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)O2)c2ccns2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1 |r|
Cc1cnsc1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1cc(sn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cc(no2)-c2ccccc2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cnsc2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cnsn2)CC1 |r|
Cc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
COc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccncc2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccnnc2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccncn2)CC1 |r|
COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
CNc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccn(C)c(=O)c2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cnn(C)c(=O)c2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(n2)C2CCCC2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(n2)C(F)F)CC1 |r|
Cc1cc(nn(C)c1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cn(C)c(=O)cn2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(=O)n(C)n2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(=O)n(C)n2)CC1 |r|
Cn1nc(ccc1=O)N1CCC2(CCN(C[C@H](O)c3ccc(nn3)-n3cnnn3)CC2)C1=O |r|
Cc1c2COC(=O)c2ccc1CCN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1
C[C@@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C2)c2ccc(=O)n(C)n2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CN(C(=O)CO2)c1ccc(=O)n(C)n1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)OCCN(C2=O)c1ccc(=O)n(C)n1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)O2)c2ccc(=O)n(C)n2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)-n2cnnn2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C2)c2ccns2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2sncc2Cl)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cc(ns2)-c2ccccc2)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ncns2)CC1 |r|
COc1cc(ccn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)c2)CC1 |r|
CCn1nc(ccc1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1cc(=O)n(C)nc1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r|
Cc1nc(ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1)-n1cnnn1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(=O)n(C)n1 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CN(CCO2)c1ccc(=O)n(C)n1 |r|
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C
CSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
C[S+]([O-])c1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
C[S+]([O-])c1nc(c(-c2ccnc(N)c2)n1C)-c1ccc(F)cc1
Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1
Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Nc1nc(NCc2cc(on2)C2CC2)c2n(Cc3ccccn3)ccc2n1
Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(F)cn4)c23)no1
Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4F)c23)no1
COc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c12
Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(cn4)C(F)(F)F)c23)no1
COc1cccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)n1
COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)nc1OC
Cc1cc(CNc2nc(N)nc3ccn(Cc4cc(Cl)ccn4)c23)no1
Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
COc1cccnc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c12
Cc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4Cl)c23)no1
CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
CN(Cc1ccc(F)cc1)c1cc(ncn1)C(=O)Nc1nncs1
CC(C)Oc1ccc(NC(=O)c2cc(ncn2)N(C)Cc2ccc(F)cc2)cc1
CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1
CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1
CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1
CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1nncs1
CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1COCC[C@@H]1C#N |r|
Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)-n1ccnn1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)C1CC1)[C@H]1COCC[C@@H]1C#N |r|
CN([C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1)C1(C)COC1 |r|
NC(=O)c1cn(nc1Nc1ccccc1)[C@H]1CCCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1CC[C@H](O)C[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1COCC[C@@H]1C#N |r|
NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N |r|
C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl
C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2c1 |r,wU:10.10,14.13,19.20,(34.86,-13.2,;36.2,-12.43,;37.53,-13.2,;37.53,-14.75,;38.86,-15.52,;40.2,-14.74,;41.53,-15.51,;42.87,-14.73,;42.86,-13.18,;41.52,-12.42,;41.51,-10.88,;40.18,-10.12,;42.84,-10.11,;44.18,-10.87,;45.51,-10.09,;46.85,-10.86,;48.17,-10.09,;48.17,-8.55,;46.83,-7.79,;45.5,-8.56,;44.16,-7.8,;42.83,-8.57,;44.15,-6.26,;49.5,-7.78,;50.99,-8.16,;51.38,-6.65,;49.92,-6.27,;52.71,-5.88,;52.69,-4.34,;54.01,-3.56,;54,-2.02,;55.36,-4.32,;55.37,-5.86,;54.05,-6.64,;54.06,-8.18,;40.2,-13.2,;38.86,-12.43,)|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3)c2c1 |r,wU:11.11,15.14,20.21,(54.33,-48.64,;55.67,-47.86,;57,-48.64,;57,-50.18,;58.33,-50.95,;59.67,-50.17,;61.01,-50.94,;62.33,-50.17,;62.32,-48.62,;63.65,-47.84,;60.99,-47.85,;60.99,-46.31,;59.65,-45.56,;62.31,-45.54,;63.65,-46.3,;64.98,-45.53,;66.32,-46.29,;67.64,-45.53,;67.64,-43.99,;66.3,-43.22,;64.96,-43.99,;63.63,-43.23,;62.3,-44.01,;63.62,-41.69,;68.98,-43.21,;70.46,-43.62,;70.85,-42.13,;69.36,-41.73,;72.17,-41.36,;72.17,-39.82,;73.5,-39.05,;73.49,-37.51,;74.84,-39.82,;74.84,-41.36,;76.17,-42.13,;73.51,-42.13,;59.67,-48.63,;58.33,-47.86,)|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cccc3F)c2c1 |r,wU:10.10,14.13,19.20,(13.85,-11.9,;15.18,-11.13,;16.52,-11.9,;16.52,-13.44,;17.85,-14.22,;19.18,-13.44,;20.52,-14.2,;21.85,-13.43,;21.84,-11.88,;20.51,-11.12,;20.5,-9.58,;19.16,-8.82,;21.83,-8.8,;23.17,-9.57,;24.5,-8.79,;25.83,-9.56,;27.16,-8.79,;27.16,-7.25,;25.82,-6.48,;24.48,-7.26,;23.14,-6.49,;21.81,-7.27,;23.14,-4.95,;28.49,-6.48,;29.98,-6.85,;30.37,-5.35,;28.91,-4.97,;31.69,-4.57,;31.68,-3.04,;30.34,-2.28,;33,-2.26,;34.35,-3.02,;34.36,-4.56,;33.03,-5.34,;33.04,-6.88,;19.18,-11.89,;17.85,-11.13,)|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3)c2c1 |r,wU:10.10,14.13,19.20,(27.36,-12.97,;28.69,-12.2,;30.02,-12.97,;30.02,-14.51,;31.36,-15.28,;32.69,-14.5,;34.03,-15.27,;35.36,-14.5,;35.35,-12.95,;34.01,-12.19,;34.01,-10.65,;32.67,-9.88,;35.34,-9.87,;36.67,-10.63,;38,-9.86,;39.34,-10.63,;40.66,-9.86,;40.66,-8.32,;39.33,-7.55,;37.99,-8.32,;36.65,-7.56,;35.32,-8.34,;36.64,-6.02,;42,-7.54,;43.48,-7.92,;43.88,-6.42,;42.41,-6.04,;45.2,-5.64,;46.54,-6.4,;47.87,-5.63,;47.86,-4.08,;46.51,-3.32,;45.19,-4.11,;32.69,-12.96,;31.35,-12.2,)|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3)c2c1 |r,wU:11.11,15.14,20.21,(2.57,-47.52,;3.9,-46.75,;5.23,-47.52,;5.23,-49.07,;6.57,-49.84,;7.9,-49.06,;9.24,-49.83,;10.57,-49.05,;10.57,-47.5,;11.9,-46.73,;9.23,-46.74,;9.22,-45.2,;7.88,-44.44,;10.55,-44.42,;11.89,-45.19,;13.22,-44.41,;14.55,-45.18,;15.88,-44.41,;15.88,-42.87,;14.54,-42.1,;13.21,-42.87,;11.87,-42.11,;10.54,-42.89,;11.86,-40.57,;17.21,-42.1,;18.69,-42.5,;19.09,-41.01,;17.6,-40.62,;20.41,-40.24,;21.75,-41.01,;23.08,-40.24,;23.08,-38.7,;21.74,-37.93,;20.41,-38.71,;7.9,-47.51,;6.56,-46.75,)|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccno3)c2c1 |r,wU:11.11,15.14,20.21,(2.78,-30.75,;4.11,-29.98,;5.44,-30.75,;5.43,-32.29,;6.77,-33.06,;8.1,-32.28,;9.44,-33.05,;10.77,-32.28,;10.77,-30.73,;12.1,-29.95,;9.43,-29.97,;9.42,-28.43,;8.08,-27.66,;10.75,-27.65,;12.09,-28.42,;13.42,-27.64,;14.76,-28.41,;16.07,-27.64,;16.07,-26.1,;14.74,-25.33,;13.41,-26.1,;12.07,-25.34,;10.74,-26.12,;12.06,-23.8,;17.41,-25.33,;18.89,-25.73,;19.28,-24.24,;17.8,-23.85,;20.61,-23.46,;22.02,-24.09,;23.05,-22.94,;22.28,-21.6,;20.77,-21.93,;8.1,-30.74,;6.77,-29.98,)|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(F)c3F)c2c1 |r,wU:11.11,15.14,20.21,(2.38,-12.28,;3.72,-11.51,;5.04,-12.28,;5.04,-13.83,;6.38,-14.59,;7.71,-13.82,;9.05,-14.58,;10.38,-13.81,;10.37,-12.26,;11.7,-11.48,;9.04,-11.5,;9.03,-9.96,;7.69,-9.2,;10.36,-9.18,;11.7,-9.94,;13.03,-9.17,;14.36,-9.94,;15.68,-9.17,;15.68,-7.63,;14.35,-6.86,;13.01,-7.64,;11.68,-6.87,;10.35,-7.65,;11.67,-5.33,;17.02,-6.85,;18.5,-7.26,;18.89,-5.77,;17.4,-5.37,;20.22,-5,;21.55,-5.78,;22.89,-5,;22.88,-3.46,;21.54,-2.7,;21.53,-1.16,;20.21,-3.47,;18.87,-2.71,;7.71,-12.27,;6.37,-11.51,)|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ncccc3F)c2c1 |r,wU:11.11,15.14,20.21,(35.33,-32.01,;36.67,-31.25,;37.99,-32.01,;37.99,-33.56,;39.33,-34.33,;40.66,-33.55,;42,-34.32,;43.34,-33.54,;43.33,-31.99,;44.66,-31.22,;41.99,-31.24,;41.98,-29.69,;40.64,-28.93,;43.31,-28.91,;44.65,-29.68,;45.99,-28.9,;47.31,-29.67,;48.64,-28.9,;48.64,-27.36,;47.3,-26.59,;45.97,-27.36,;44.63,-26.6,;43.3,-27.38,;44.62,-25.06,;49.98,-26.59,;51.46,-26.99,;51.85,-25.5,;50.36,-25.11,;53.18,-24.73,;54.51,-25.5,;55.85,-24.73,;55.85,-23.19,;54.5,-22.42,;53.17,-23.2,;51.83,-22.43,;40.66,-32,;39.33,-31.24,)|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cccc3F)c2c1 |r,wU:11.11,15.14,20.21,(19.81,-47.84,;21.14,-47.07,;22.47,-47.84,;22.47,-49.39,;23.8,-50.16,;25.14,-49.38,;26.48,-50.15,;27.81,-49.37,;27.8,-47.82,;29.14,-47.05,;26.47,-47.06,;26.46,-45.52,;25.12,-44.76,;27.79,-44.74,;29.13,-45.51,;30.46,-44.73,;31.79,-45.5,;33.12,-44.73,;33.12,-43.19,;31.78,-42.42,;30.45,-43.19,;29.11,-42.43,;27.78,-43.21,;29.1,-40.89,;34.45,-42.42,;35.93,-42.82,;36.33,-41.33,;34.84,-40.94,;37.65,-40.56,;37.65,-39.03,;36.31,-38.26,;38.98,-38.25,;40.32,-39.02,;40.32,-40.56,;38.99,-41.33,;38.99,-42.87,;25.14,-47.83,;23.8,-47.07,)|
c1c(ncc2c1OCCO2)CNC3CCN(CC3)C[C@@]4(CN5c6c4c(cnc6C=CC5=O)F)O
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2c1 |r,wU:11.11,15.14,20.21,(37.48,-48.35,;38.81,-47.58,;40.15,-48.35,;40.15,-49.89,;41.48,-50.67,;42.82,-49.89,;44.15,-50.66,;45.48,-49.88,;45.47,-48.33,;46.8,-47.56,;44.14,-47.57,;44.14,-46.03,;42.8,-45.27,;45.46,-45.25,;46.8,-46.02,;48.13,-45.24,;49.47,-46.01,;50.79,-45.24,;50.79,-43.7,;49.45,-42.93,;48.12,-43.7,;46.78,-42.94,;45.45,-43.72,;46.77,-41.4,;52.13,-42.93,;53.61,-43.33,;54,-41.84,;52.51,-41.45,;55.33,-41.07,;56.66,-41.84,;58,-41.07,;59.32,-41.84,;57.99,-39.53,;56.65,-38.76,;55.32,-39.54,;53.98,-38.77,;42.82,-48.34,;41.48,-47.58,)|
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2n1 |r,wU:11.11,15.14,20.21,(41.14,-49.58,;42.48,-48.82,;43.81,-49.58,;43.81,-51.13,;45.15,-51.9,;46.48,-51.12,;47.82,-51.89,;49.15,-51.11,;49.14,-49.56,;50.47,-48.79,;47.81,-48.81,;47.8,-47.27,;46.46,-46.5,;49.12,-46.48,;50.46,-47.25,;51.79,-46.47,;53.13,-47.25,;54.46,-46.47,;54.46,-44.93,;53.12,-44.17,;51.78,-44.94,;50.44,-44.18,;49.11,-44.95,;50.43,-42.64,;55.79,-44.16,;57.27,-44.56,;57.66,-43.07,;56.18,-42.68,;58.99,-42.31,;60.33,-43.08,;61.66,-42.31,;62.99,-43.07,;61.66,-40.77,;60.31,-39.99,;58.98,-40.77,;57.65,-40.01,;46.48,-49.58,;45.14,-48.82,)|
FC(F)(F)Oc1ccc2c(n[nH]c2c1)-c1ccc(cc1)C#N
Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F
FC(F)(F)c1ccc2c(Nc3ccc(Cl)nc3)n[nH]c2c1
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33|
NC(=O)c1cnc(N[C@H]2CCCNC2)c2sc(cc12)-c1ccccc1 |r|
NC(=O)c1cnc(N(CCc2ccccc2)[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r|
C[C@@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r|
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r|
c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N
C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4
C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(cc23)-c2ccccc2)[C@H](C)N1 |r|
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1ccc(Cl)cc1 |r|
C[C@@H]1CC[C@@H](CN1)Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r|
NC(=O)c1cnc(N[C@H]2CCCNC2)c2sc(cc12)-c1cccc(F)c1 |r|
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(F)c1 |r|
CN([C@H]1CCCNC1)c1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r|
NC(=O)c1cnc(SC2CCCNC2)c2cc(sc12)-c1ccccc1
NC(=O)c1cnc(N(CCO)[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r|
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1ccc(F)cc1 |r|
NC(=O)c1cnc(N[C@H]2CNCC[C@@H]2O)c2cc(sc12)-c1ccccc1 |r|
NC(=O)c1cnc(N[C@H]2CCCN[C@@H]2CCO)c2cc(sc12)-c1ccccc1 |r|
c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1cccc(F)c1 |r|
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccs1 |r|
NC(=O)c1cnc(O[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r|
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccsc1 |r|
CCN([C@H]1CCCNC1)c1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)O[C@H](CO)C(F)(F)F |r|
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
c1ccc2c(c1)NC(=O)N2CCCN3CCC(CC3)N4c5ccc(cc5NC4=O)Cl
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2O3)c(F)c1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
COc1ccc2OC3(CCN(CCc4ccc(F)cc4F)CC3)CCc2c1
NC(=O)c1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
NC(=O)c1cccc(c1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2C3)c(F)c1
Fc1ccc(cc1)C(=O)CN1CCC(CC1)S(=O)(=O)c1ccccc1
Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1
O=S(=O)(C1CCN(CCCc2ccccc2)CC1)c1ccccc1
O=S(=O)(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7|
Cn1c(ccc1c2ccc(cc2F)O)C#N
[H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r|
C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl
COc1cc2CCN3C(Cc4ccccc4)c4c(CC3c2cc1OC)ccc(OC)c4OC
CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
COc1cc2CCN(C)[C@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc3)c2cc1OC |r|
COc1ccc(CCNCCCNC(=O)c2ccc(cc2)[N+]([O-])=O)cc1OC
CCCCCCCN(CC)CCCCc1ccc(cc1)[N+]([O-])=O
CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C\c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12
NCC(O)COc1ccccc1C(=O)CCc1ccccc1
CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CC(=O)c2c1
CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
CCCNCC(O)COc1ccc(O)cc1C(=O)CCc1ccccc1
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
COc1ccc(CCNC(C)COc2c(C)cccc2C)cc1OC
COc1ccc(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2N)cc1OC
CN1Cc2ccccc2[C@H](N=C1CCc1ccccc1)c1ccccc1 |c:11|
CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2
CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12
COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:16,t:13|
CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC
Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O
COc1ccc(CCN(C)CCCN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccc(OC)c(OC)c2)cc1OC
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
CCC1(C(=O)NC(=O)NC1=O)c2ccccc2
CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Nc1ccncc1
CCCS(=O)CCCN(CC)CC(O)COc1ccc(cc1)C#N
CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r|
C[C@]1(CCSC(N)=N1)c1cc(CNC2CC2)c(F)cc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C#N)c(F)cc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F |r,c:6|
C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F
C[C@]1(CCSC(N)=N1)c1cc(CNCC2CC2)c(F)cc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)F)c(F)cc1F |r,c:6|
CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20|
C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)F)c(F)cc1F |r,c:6|
c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F
C[C@]1(CCSC(N)=N1)c1cc(CNCCC(F)(F)F)c(F)cc1F |r,c:6|
C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F
C[C@@H](NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:19|
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Cc1nc2n(CCCC2(F)F)c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(F)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCOC1)c1ccccc1
O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCOCC1)c1ccccc1
Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cc(F)cc(Cl)c1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cccc(F)c1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cc(F)cc(Cl)c1
CCOC(=O)[C@H]1CN(CC(=O)N1Cc1ccc(cc1)C(=N)N(C)C)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1
COC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(cc3)C(=N)N(C)C)c(c2)C(=O)Nc2ccc(Cl)cn2)cc1
Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2CN2CCCCC2)n(n1)-c1cc2ccccc2cc1F
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(c1)N1CCC(CC1)C(O)=O
CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1CC(=O)N1CCCC(C1)C(O)=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1 |c:4|
CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(c1)N1CCCCC1C(O)=O
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(CCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
C\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(c1)N1CCCC(C1)C(O)=O
CCOC(=O)C1CCCN(C1)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1F)C(=N)N1CCC(CC1)C(O)=O
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Oc2ccc(cc2)C(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Sc2ccc(cc2)C(=O)N(C)C)cc1C(=O)Nc1ccc(Cl)cn1
[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O
CCOC(=O)COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(CN2[C@H](CN(CC2=O)S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)C(O)=O)cc1
OC(=O)C1CCCN(C1)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(c1)N(C)CCCC(O)=O
CN(CCCC(O)=O)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(c1)N1CCCCC1
CCOC(=O)C1CCN(CC1)c1cc(ccc1C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1)C(=N)N(C)C
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Sc2ccc(cc2)C(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
COC(=O)CCc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
C\C(=C(/F)C(=O)N(CC(O)=O)c1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
CCOC(=O)C1CCN(CC1)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
COC(=O)c1ccc(Sc2ccc(NC(=O)c3ccc(cc3)C(=N)N(C)C)c(c2)C(=O)Nc2ccc(Cl)cn2)cc1
CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1CC(=O)N1CCOCC1)S(=O)(=O)c1cc2ccc(Cl)cc2s1 |c:4|
Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2CN2CCC(CC2)C(O)=O)n(n1)-c1cc2ccccc2cc1F
CN(CC(O)=O)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Cc1cc(C(=O)Nc2ccc(cc2)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1C(O)=O
Cc1cc(C(=O)Nc2ccc(cc2)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1C#N
CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1CC(=O)N1CCC(CC1)C(O)=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1 |c:4|
CCOC(=O)C1CCN(CC1)C(=N)c1ccc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
OC(=O)C1CCN(CC1)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Sc2ccccc2)cc1C(=O)Nc1ccc(Cl)cn1
COC(=O)N(NC(=O)c1c(OC)c(nc2ccccc12)-c1ccccc1)c1ccccc1
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@H]3CCCNC3)c2n1 |r|
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(C3CCCNC3)c2n1
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@@H]3CCCNC3)c2n1 |r|
CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N(CCOc2ccc(NS(C)(=O)=O)cc2)CCc2ccc(NS(C)(=O)=O)cc2)N(C)C)c1
CCN1CCCc2cc3NC4C=C5CCC[N+](CCCC(=O)N(CCOc6ccc(NS(C)(=O)=O)cc6)CCc6ccc(NS(C)(=O)=O)cc6)=C5C=C4Oc3cc12 |w:10.10,c:51,54,t:11|
CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,7.27,c:3,5,10|
CCNC(=O)Cc1ccc2N3CCC4OC5CC[N+]6=C(C5=CC4C3C(C)(C)c2c1)C(C)(C)c1cc(ccc61)S([O-])(=O)=O |w:13.12,23.25,15.15,22.22,c:18,21|
CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,7.27,c:3,5,10|
CN(C)c1ccc2c(Cc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)NCCCCCCN(CCOc2ccc(NS(C)(=O)=O)cc2)CCc2ccc(NS(C)(=O)=O)cc2)N(C)C)c1
CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,7.27,c:3,5,10|
CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.30,7.27,c:3,5,10|
CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CCCCCC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:7.27,26.30,c:3,5,10|
CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CCC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,7.27,c:3,5,10|
CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)C(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1
CS(=O)(=O)Nc1ccc(CCN(CCCCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Cc3cc(O)ccc23)CCOc2ccc(NS(C)(=O)=O)cc2)cc1
Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)|
NC(=O)CNC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:18.19,20.22,16.18,23.25,wU:14.14,9.12,6.5,TLB:21:16:19.20.22:24,THB:15:14:19.20.22:24,13:14:19.20.22:24,14:16:19:22.23.24,14:23:19:17.21.16,TEB:21:20:24:17.16.14,22:23:17:19.20.21,(25.77,-11.15,;27.09,-10.36,;28.44,-11.11,;27.07,-8.82,;25.73,-8.06,;25.71,-6.52,;24.36,-5.77,;23.04,-6.56,;21.7,-5.81,;21.68,-4.27,;23,-3.47,;24.34,-4.23,;21.49,-2.73,;19.98,-2.44,;19.23,-3.79,;20.28,-4.92,;18.12,-4.85,;16.9,-4.09,;16.32,-2.81,;14.58,-2.84,;15.92,-3.62,;16.5,-5.02,;17.05,-2.51,;18.66,-2.39,;17.38,-1.76,)|
NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:14.15,16.18,12.14,19.21,wU:10.10,5.8,2.1,TLB:17:12:15.16.18:20,THB:11:10:15.16.18:20,9:10:15.16.18:20,10:12:15:18.19.20,10:19:15:13.17.12,TEB:17:16:20:13.12.10,18:19:13:15.16.17,(13.45,-13.89,;13.42,-12.35,;12.07,-11.6,;10.75,-12.4,;9.41,-11.66,;9.37,-10.12,;10.69,-9.32,;12.04,-10.06,;9.17,-8.58,;7.66,-8.3,;6.92,-9.66,;7.98,-10.78,;5.82,-10.73,;4.59,-9.98,;4.01,-8.7,;2.26,-8.74,;3.61,-9.51,;4.2,-10.91,;4.73,-8.39,;6.34,-8.26,;5.06,-7.64,)|
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)c(F)c1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)c(F)c1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)cc1
Fc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)cc1
Oc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(Cl)c1
Fc1ccc(CCc2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccncc2)nc1
Fc1cccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c1
COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2cccc(F)c2)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(F)c1
Fc1ccc(CCc2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(c1)C#N
Cc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Oc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)cc1
Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)c(F)c1
ONC(=O)CCCCCCNc1ncnc2ccc(F)cc12
ONC(=O)CCCCCCNc1ncnc2ccc(Cl)cc12
CCCCc1cc(OC2CCN(CCNS(=O)(=O)CC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCNS(C)(=O)=O)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)C)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)C(C)C)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCS(=O)(=O)CCC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCNS(=O)(=O)CC)CC2)c2ncccc2c1
COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CCCCc1cc(OC2CCN(CCS(=O)(=O)CC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC(C)C)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCC(C)S(=O)(=O)CC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCN(C)S(=O)(=O)CC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCS(=O)(=O)CC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCS(=O)(=O)NCCC)CC2)c2ncccc2c1
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CCC)CC2)c2ncccc2c1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Cc1cccc(c1)N=C(NC#N)c1ccc(o1)-c1ccc(Cl)cc1 |w:7.7|
C[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 |r|
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Cc1ccnc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
CN1CCCc2cc(NC(=O)c3ccc(o3)-c3ccc(Cl)cc3)ccc12
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(OC(F)(F)F)cc2)c1
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
Cc1cccc(c1)N=C(N)c1ccc(o1)-c1ccc(Cl)cc1 |w:7.7|
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
Cc1cccnc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
CC1(CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1
CC1(CCN(CC1)C(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Cc1nc(CN(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc[n+]([O-])c2C)c2ccccc2)cs1
Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
CN1CCC(CC1)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO
C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N1CCOCC1
C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C
C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C
CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C
C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C
C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO
C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO
CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1C
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)N1CCCS1(=O)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(=O)N(C)C
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)N1CCCS1(=O)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(N)=O
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(N)=O
CNCc1ccccc1Oc1ccc(Cl)cc1F
CNCc1cc(ccc1Oc1ccc(Cl)cc1C)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C(=O)NC
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)N(C)C
CNCc1ccccc1Oc1ccc(Cl)cc1OC
COc1cc(Cl)ccc1Oc1ccccc1CN(C)C
CN(C)Cc1ccccc1Oc1ccc(Cl)cc1Cl
Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |r|
COc1ccc(cc1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1
Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1cccc(Cl)c1
COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1
Cc1oc(nc1CCOc1ccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1
Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1
COc1ccc(cc1)N1[C@@H]([C@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1=O)C(O)=O
Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1
CC[N+]1(C)CCc2c(C1)sc(NC(=O)Nc1ccc(Cl)cc1)c2C(N)=O
CC1(C)Cc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C(C)(C)N1
CC[N+]1(C)Cc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1
NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2C[N+]3(CCOCC3)CCc12
NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2C[N+]3(CCCC3)CCc12
CCN1CCc2c(C1)sc(NC(=O)Nc1ccc(Cl)cc1)c2C(N)=O
[H][C@]12CC[C@]([H])(N1C)c1c(C2)sc(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O
NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2CN(CCCNC(=O)CCc3c[nH]c4ccccc34)CCc12
COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1
CN(C)C(=O)C(N)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 |w:5.5|
CCOC(=O)C(N)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 |w:5.5|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|
[#6]-[#6](-[#6@H](-[#7])-[#6](\F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)-c1nc(no1)-c1ccc(cc1Cl)S([#6])(=O)=O |r|
[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@@H](-[#6]-[#6]-[#8])-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|
CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r|
CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12|
CCc1ccccc1Oc1cc(C)ncc1CN(C)C
COc1ccc2nccc(C(=O)CC[C@@H]3CCN(CC#Cc4cc(F)cc(F)c4F)C[C@@H]3C(O)=O)c2c1
CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
CN(C)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1)OCC1CCCO1
O=C(NCCCN1CCCCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1
CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4c2c(ccc4)O
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccc(O)cc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cc(O)ccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c(O)cccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(CC)CC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(C)CC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(CC2)C(C)=O)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1ccccc1C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
CCN(CC)C(=O)c1cccc(c1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
OC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
COC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
Oc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:8|
COc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:9|
FC(F)(F)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
Cc1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:8|
C1CC2(CCN1)Oc1ccccc1C(=C2)c1ccccc1 |c:15|
CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccc(F)c(F)c2F)cc1 |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2F)cc1 |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2cccc(O)c2)cc1 |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2O)cc1 |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 |r|
CC(C)CN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O
CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O
CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O
CCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O
CN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 |r|
Cc1ccc(CCNC[C@H](O)COc2ccc(NS(C)(=O)=O)cc2)cc1C |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(F)c(F)c2)cc1 |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(F)c2)cc1 |r|
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)cc2)cc1 |r|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](C)C1)-c1cncnc1 |r,c:5|
Cc1ccccc1O[C@H](CCNC)c2ccccc2
CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r|
CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1 |r|
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 |r|
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1[nH]ncc1-c1ccncc1 |r|
CCN([C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(OC)cc1 |r,THB:11:10:4.3.9:7.6|
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1c(C)nnc1C |r|
CC(C)c1noc(n1)C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1 |r|
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1nnc(CN(C)C)o1 |r|
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1 |r|
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C1=CN2N=CNC2C=C1 |r,c:27,32,t:24|
CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(O)=O |r|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11CC[C@@H](OC)[C@H](C)C1)-c1cncnc1 |r,c:5|
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
CC(C)c1nnc(C)n1C1CCN(CC1)[C@@H](C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
CC(C)c1nnc(C)n1C1CCN(CC1)[C@H](C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
[H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
[H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
OC(=O)c1ccc2c(c1)C(=O)OC21CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
OC(=O)CC1CCC2(CC1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
OC(=O)C1CCC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)OC1
OC(=O)CC1CCOC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)C1
OC(=O)CC1CCC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)O1
OC(=O)CC1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
C[N+]1(CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl)[O-]
OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r|
Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13|
O=C1[C@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
Clc1cccc(c1)C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N |r|
O=C1[C@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
O=C1[C@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
OC(=O)CC1CCC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)OC1
OC(=O)CN1CCC2(CC1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
OC(=O)C[C@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r|
FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ncccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12
Cn1cnnc1C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cncn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cccn1
Cc1c(o[nH]c1=O)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nnco1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1ncon1
Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1
FC(F)(F)c1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccccn2)cc1
O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1
O=C(NC1CCc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1ccnn1
Cn1cc(nn1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Cc1c([nH]c2cc(F)cc(F)c2c1=O)-c1ccc(cc1)N1CCC(F)(F)C1
Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r|
[H][C@]1(CC[C@H](CO1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cc1c(F)cnc2ccc(OC)nc12 |r|
[H][C@]1(CC[C@H](CO1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](O)Cn1c2nc(OC)ccc2ccc1=O |r|
[H][C@]1(CC[C@H](CO1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2nc(OC)ccc2ccc1=O |r|
CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
[O-][N+](=O)c1cn2CC[C@H](COc3ccc(nc3)-c3ccc(F)cc3)Oc2n1 |r|
C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|
CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O
Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn2CCCc3cccc1c23
C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1cc(F)ccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cncnc2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cncc(F)c2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccnc(F)c2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cc[nH]n2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)cc2)C(N)=O)C1(C)C |r|
Cc1cnccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Cc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(nc2)C#N)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccncc2F)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r|
COc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(Cl)c2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc(F)c2)C(N)=O)C1(C)C |r|
CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccncc2)C(N)=O)C1(C)C |r|
COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Cc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(F)nc2)C(N)=O)C1(C)C |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2F)C(N)=O)C1(C)C |r|
Cc1cc(ccn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Cc1ccncc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N
COc1cccc(c1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
COc1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
CC(C)Oc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r|
Cc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
FC(F)Oc1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnc1)C(F)(F)F
CC(C)c1cc(CN2Cc3ccccc3S2(=O)=O)nn1-c1ccc(F)cc1
CC(C)c1cc(CN2Cc3ccccc3S2(=O)=O)nn1C(C)(C)C
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCCC(=O)N1CCSC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(CCC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccccc1
CC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccc(F)cc1
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC |r|
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5cccnc45)C3)C(=O)O[C@]12C |r|
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5ncccc45)C3)C(=O)O[C@]12C |r|
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(C3)[C@H](C)c3ccnc4ncccc34)C(=O)O[C@]12C |r|
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5ncccc45)C3)C(=O)O[C@]12C |r|
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5cccnc45)C3)C(=O)O[C@]12C |r|
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N |r|
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1 |r|
CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N |r|
Fc1cc2COC3(CCN(Cc4ccc(Oc5ccc(F)c(F)c5)cc4)CC3)c2cn1
Fc1cc2COC3(CCN(Cc4ccc(Nc5ccc(F)c(F)c5)cc4)CC3)c2cn1
CN(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
OC(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
CC(O)(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Fc1cc2COC3(CCN(Cc4ccc(cc4)C(=O)c4ccc(F)c(F)c4)CC3)c2cn1
Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1
CO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
CCO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cn1
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(=O)n(C)cc32)cn1
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1 |r|
C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1 |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
C[C@H](c1c(CCN2CCCC2)sc2ccccc12)c1ccccn1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1cccnc1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1ccncc1
CC(c1c(CCN(C)C)sc2ccccc12)c1cc(C)ccn1
COc1cccc(n1)C(C)c1c(CCN(C)C)sc2ccccc12
CC(c1c(CCN(C)C)sc2ccccc12)c1cccc(F)n1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1C |r|
COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1F |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1Cl |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccc(F)cn1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1ccc(C)nc1
COc1ccc(cn1)C(C)c1c(CCN(C)C)sc2ccccc12
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1C |r|
COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1F |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1Cl |r|
CC(c1nccs1)c1c(CCN(C)C)sc2ccccc12
C[C@@H](c1cscn1)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@@H](c1cncs1)c1c(CCN(C)C)sc2ccccc12 |r|
CC(c1c(CCN(C)C)sc2ccccc12)n1ccnc1
C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1 |r|
CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1 |r|
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F |r|
OC(c1ccnc(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
OC(c1ccc(F)c(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
OC(c1ccc(F)c(c1)C#N)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
Cc1cc(ccc1F)C(O)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
OC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)(c1cccc(Cl)c1Cl)C(F)(F)F
CCOCCn1nc(C)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)c12
CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Cc1nn(CCOCC(F)(F)F)c2c(Nc3cccc(C)n3)nc(nc12)N1CCNCC1
CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCNCC1
C[C@@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1 |r|
CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCN[C@H](C)C1 |r|
CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
CN1CCN(CC1)c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
C[C@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Br)cc21 |r|
C[C@H]1Cc2c([nH]c3cc(F)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
C[C@H]1Cc2c([nH]c3cc(Cl)ccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
C[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
FC(F)(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
COc1c(F)cccc1CC(N1CCNCC1)c1ccccc1
COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
FC(F)Oc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
COc1ccccc1CC(N1CCNCC1)c1ccccc1F
COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
COc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1F
FC(F)Oc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
COc1ccccc1CC(N1CCNCC1)c1ccccc1
Oc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 |r|
CCCOc1ccccc1CC(N1CCNCC1)c1ccccc1
CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
C(C(N1CCNCC1)c1ccccc1)c1ccccc1OC1CC1
C(Oc1ccccc1CC(N1CCNCC1)c1ccccc1)C1CC1
C(C(N1CCNCC1)c1ccccc1)c1cccc2CCOc12
Nc1ncc(cc1-c1nc2ccccc2o1)-c1cnn(c1)C1CCNCC1
Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1
O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1
Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1
CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O)C(F)(F)F
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(nc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F |r|
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r|
Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Fc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r|
Fc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |r,c:10|
CN(C)CCN(C)C(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N |t:16|
OC(=O)c1ccc(cc1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |c:12|
OC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc2[nH]c(=O)oc2c1 |c:11|
OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N |t:10|
Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)C(=N)N2CCCCC2)nc1
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)C(=O)C(C)(C)C)c1cccc(F)c1 |r,THB:6:7:14.13.12:9.10|
CC(C)C(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1 |r,THB:23:22:16.15.21:18.19|
CCCC(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1 |r,THB:23:22:16.15.21:18.19|
CCC(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1 |r,THB:22:21:15.14.20:17.18|
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)C(C)=O)c1cccc(F)c1 |r,THB:6:7:14.13.12:9.10|
COC(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1 |r,THB:22:21:15.14.20:17.18|
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)c1ccncn1)c1cccc(F)c1 |r,THB:6:7:14.13.12:9.10|
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)c1cnccn1)c1cccc(F)c1 |r,THB:6:7:14.13.12:9.10|
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2ccccc12)c1ccccc1 |r,THB:6:7:14.13.12:9.10|
CC(C)c1nc(C)nn1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,THB:17:16:10.9.15:12.13|
FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22|
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
Cc1cc(nc(N)n1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F
CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1ccccc1
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
CN(C[C@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
CN([C@H]1CCOC1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
COCCCN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CC(F)C4)cc3c(=O)c2c1
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CCC4)cc3c(=O)c2c1
CN(Cc1ccccc1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
CN(Cc1cnccn1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
CCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
CNS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(C)(=O)=O)cc3c(=O)c2c1
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(N)(=O)=O)cc3c(=O)c2c1
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
CCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Cc1[nH]c2ccccc2c1CCN(CCF)Cc1ccc(\C=C\C(=O)NO)cc1
CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2ccccn2)cc1
COc1ccncc1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2cccs2)cc1
Cc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 |(-6.03,-13.03,;-4.7,-12.25,;-3.29,-12.87,;-2.26,-11.72,;-3.04,-10.39,;-2.42,-8.98,;-4.56,-10.72,;-5.71,-9.69,;-7.22,-10.01,;-8,-8.67,;-9.51,-8.34,;-9.98,-6.87,;-8.94,-5.73,;-7.44,-6.05,;-6.96,-7.52,;-5.55,-8.15,;-4.21,-7.37,;-2.88,-8.14,;-1.54,-7.37,;-.21,-8.14,;1.12,-7.37,;1.12,-5.82,;2.45,-5.05,;3.79,-5.82,;5.12,-5.04,;6.46,-5.81,;7.79,-5.03,;7.78,-3.49,;9.12,-5.8,;10.45,-5.02,;3.79,-7.37,;2.46,-8.14,)|
CC(C)(C)c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
ONC(=O)\C=C\c1ccc(CNCCc2c(nn3ccccc23)-c2ccccc2)cc1
CC(C)N(CCc1c(C)nn2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
CCc1nn2ccccc2c1CCN(Cc1ccc(\C=C\C(=O)NO)cc1)C(C)C
CC(C)N(CCc1c(nn2ccccc12)-c1ccccc1)Cc1ccc(\C=C\C(=O)NO)cc1
CC(C)(C)c1[nH]c2ncccc2c1CCNCc1ccc(C=CC(=O)NO)cc1 |w:21.22|
Cc1nn2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
CC(C)N(CCc1c([nH]c2ccccc12)C(C)(C)O)Cc1ccc(\C=C\C(=O)NO)cc1
ONC(=O)\C=C\c1ccc(CNCCc2c[nH]c3ccccc23)cc1
ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2ccccc2)cc1
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1 |r|
Cc1nc2c(OC(F)F)cccc2n1-c1ccc(s1)C(=O)NC1CC1
Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N
CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(cc2)-c2noc(C)n2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(c(F)c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(nc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(cn2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccccc1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(NC(C)=O)cc1
CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(c(F)c1)S(C)(=O)=O
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1F)S(C)(=O)=O
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CCN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CN([C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CO[C@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CO[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)n1
Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Nc1nccc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
CN(c1ccc(Cl)cc1)c1ccc(Nc2nccc(N)n2)cc1
Nc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Cc1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1
Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C3CC3)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(cc3)C#N)cc2)n1
Nc1ccnc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1
Cc1ccc(Oc2ccc(Nc3cncc(N)n3)cc2)cc1
Nc1cncc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)n1
Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Cc1c(C)c2c(OC3CCN(Cc4cscn4)CC3)ncnc2n1Cc1ccccc1
Cc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
Clc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
FC(F)(F)c1nc(OC2CCN(Cc3cscn3)CC2)c2ccn(Cc3ccccc3)c2n1
Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Fc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1
Clc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1
Cc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Cc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1
Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cc1
FC(F)(F)c1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
FC(F)(F)c1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1
Fc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)c1F
Fc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
Fc1c(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc23)cccc1C(F)(F)F
Fc1cccc(F)c1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc12
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1ccccc1
Cc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1
Cc1ccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)nc1
Cc1ccnc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)c1
Fc1cccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)n1
Fc1ccc(CN2CCC(CC2)Oc2ncnc3n(Cc4ccccc4)ccc23)nc1
Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc12
Fc1cccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)c1F
Fc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc12
Fc1c(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc23)cccc1C(F)(F)F
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1cscn1
Fc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12
Cc1cccnc1CN1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12
CCC(NCCCC[C@@H](Cc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r|
CCC(NCCCC[C@@H](C[C@@H](OC)c1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1 |r|
Cc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F |r|
CCC(NCCCC[C@@H](Oc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r|
CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F
Cc1cc(N[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F |r|
CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r|
Cc1cc(O[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F |r|
N[C@H]1CN(C[C@@H]1c1cc(F)ccc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|
N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|
COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F
COc1ccc(cc1)-n1c(C)nnc1SCc1nc(no1)-c1ccc(OC)c(OC)c1
COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(OC)cc2)n1
COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1
NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
O[C@@]1(CCNC[C@@H]1c1cc(on1)-c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 |r|
COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O |r|
O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Br)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1ccccc1Cl)c1ccc(F)c(F)c1 |r|
Cc1cccc(-c2noc([C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c2Br)c1C |r|
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 |r,wU:1.0,6.7,(-7.87,-30.01,;-6.37,-30.42,;-7.7,-31.2,;-7.7,-32.74,;-6.37,-33.5,;-5.04,-32.74,;-5.04,-31.2,;-3.83,-30.25,;-3.87,-28.71,;-2.43,-28.19,;-1.48,-29.4,;-2.34,-30.68,;-1.82,-32.12,;.06,-29.35,;.78,-27.99,;-.04,-26.69,;2.31,-27.93,;3.14,-29.25,;2.41,-30.6,;.87,-30.66,;.15,-32.01,;-6.37,-28.88,;-7.7,-28.12,;-7.71,-26.58,;-6.37,-25.8,;-6.37,-24.26,;-5.03,-26.57,;-3.7,-25.8,;-5.03,-28.11,)|
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1ccccc1-c1noc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)NCCc1ccccc1-c1cc(no1)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Cl |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1C(C)=O |r|
CC(O)c1c(noc1-c1ccccc1CCNC(C)=O)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1Br |r|
CO[C@@]1(CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(C(N)=O)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(OCC(O)CO)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)c(Cl)c1
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCCC1
Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2ccc3OC(F)(F)Oc3c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)NC2C3CC4CC(C3)CC2C4)nn1 |TLB:30:29:27:23.24.25,20:21:23.30.24:28.26.27,THB:30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,20:21:27:23.24.25,(8.05,-8.55,;8.05,-10.09,;9.39,-10.86,;10.71,-10.09,;12.05,-10.85,;12.05,-12.4,;10.72,-13.17,;9.38,-12.4,;8.06,-13.17,;6.65,-12.54,;5.62,-13.69,;6.39,-15.02,;5.76,-16.43,;7.9,-14.7,;13.38,-10.08,;14.79,-10.7,;15.81,-9.55,;17.35,-9.58,;18.14,-8.26,;17.4,-6.91,;19.68,-8.28,;20.43,-9.63,;21.63,-8.35,;22.96,-8.84,;24.35,-8.49,;24.36,-6.96,;22.97,-6.39,;21.62,-6.86,;21.93,-7.62,;21.93,-9.21,;23.34,-9.77,;15.04,-8.22,;13.53,-8.55,)|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccc(F)cc2)C2C3CC4CC(C3)CC2C4)nn1 |TLB:38:37:35:31.32.33,20:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,33:32:29:36.34.35,33:34:29:31.38.32,20:29:35:31.32.33,(27.35,-8.32,;27.35,-9.86,;28.68,-10.63,;30.01,-9.86,;31.35,-10.63,;31.35,-12.18,;30.01,-12.95,;28.68,-12.18,;27.35,-12.94,;25.95,-12.32,;24.92,-13.46,;25.69,-14.79,;25.06,-16.2,;27.19,-14.48,;32.67,-9.85,;34.08,-10.47,;35.11,-9.33,;36.65,-9.35,;37.44,-8.03,;36.69,-6.68,;38.98,-8.06,;39.77,-6.74,;39.02,-5.39,;39.82,-4.08,;39.08,-2.73,;37.53,-2.71,;36.78,-1.36,;36.74,-4.04,;37.49,-5.38,;39.73,-9.4,;40.92,-8.13,;42.25,-8.61,;43.65,-8.26,;43.66,-6.73,;42.26,-6.16,;40.92,-6.63,;41.22,-7.39,;41.23,-8.98,;42.63,-9.54,;34.33,-8,;32.83,-8.32,)|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)nn1 |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N([C@H](C)c2ccccc2)[C@H](C)c2ccccc2)nn1 |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(C2CCCCC2)C2CCCCC2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N2CCC(CC2)c2nc3ccccc3o2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccccc2)CC(F)(F)F)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2ccc3CCCc3c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2ccc3OC(F)(F)Oc3c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2ccc3ccccc3c2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2cccc3ccccc23)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCCCNC1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1C2CCC(C2)NC1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CCNC1=O)C(F)(F)F
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CNC1=O)C(F)(F)F
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC[C@H]2CCCC[C@@H]2NC1=O |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CCNC1=O)[Si](C)(C)C
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCCC(NC1=O)C(C)(C)C
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CCNC1=O)C1CCCCC1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC23CC4CC(CC(C4)C2)C3)C1=O)C(C)(C)C |r,TLB:25:26:29:33.31.32,THB:31:30:27:33.32.34,31:32:29.30.35:27,34:32:29:35.26.27,34:26:29:33.31.32|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(C)(C)C)C1=O)C(C)(C)C |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CC[C@@H](CN(Cc2ccccc2)C1=O)c1ccccc1 |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(Cc2ccccc2)C1=O)C(F)(F)F |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(Cc2ccccc2)C1=O)[Si](C)(C)C |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(F)(F)F)C1=O)C(F)(F)F |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CN(CC(F)(F)F)C1=O)C(F)(F)F |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCCCN(CC(F)(F)F)C1=O |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(F)(F)F)C1=O)c1ccccc1 |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(F)(F)F)C1=O)C(C)(C)C |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(C)(C)CCNC1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(c2ccccc2)c2ccccc2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(C2CCCCC2)c2ccccc2)nn1
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)F)cc12)N1CCC(O)(CC1)C1CC1
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(O)CC1
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
c1nn(cc1-c1ccnc2ccccc12)-c1ccccc1
COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4[nH]nc(CC)c4C)c(OC)c3)c2cc1OC
COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1
CCN(CC)CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCC2)o1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCCC2)o1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCOCC2)o1
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
Cc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCCC1
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCCCC1
Fc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1
CCc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1
Cc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1
Cc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCOCC2)o1
CCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(c1)C(F)(F)F
CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
Fc1cccc(F)c1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)c1ccccc1
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCC1
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(Cl)c1
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(F)c1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCOCC2)o1
CN1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCC(F)(F)CC2)o1
FC1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2C[C@@H]3CC[C@H]2C3)o1 |r|
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1 |(-15.54,4.95,;-16.86,4.18,;-18.21,4.95,;-19.53,4.18,;-19.54,2.64,;-18.19,1.87,;-16.87,2.64,;-15.55,1.87,;-15.55,.33,;-14.2,2.64,;-12.88,1.87,;-12.88,.33,;-11.55,-.44,;-10.2,.33,;-10.2,1.88,;-11.55,2.65,;-8.87,-.43,;-8.85,-1.97,;-7.37,-2.43,;-6.49,-1.17,;-4.95,-1.14,;-4.2,.21,;-2.66,.23,;-1.91,1.58,;-.37,1.6,;.26,2.99,;1.7,3.41,;2.99,2.48,;3.04,.93,;1.85,-.05,;.28,.29,;.68,1.78,;1.98,1.28,;-7.41,.07,)|
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCOCC2)o1
CCN(CC)CCCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1
O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)c1ccccc1
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCOCC2)o1
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1
FC1CCN(CCCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCOCC2)o1
C[C@@H]1CC[C@@H](C)N1CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1 |r|
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCC2)o1
O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)C1CCCCC1
Fc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(NCCCCN2CCOCC2)o1
Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3
Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3
Cc1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1
Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1
NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1
NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1
CCOC(=O)C1CCN(CCOc2ccc(cc2)S(N)(=O)=O)CC1
NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
CCOC(=O)C1CCN(CCCOc2ccc(cc2)S(N)(=O)=O)CC1
NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1
CCOC(=O)C1CCN(CCCCOc2ccc(cc2)S(N)(=O)=O)CC1
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCC3)cc2)c1
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCC3)cc2)cc1
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCCC3)cc2)c1
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCCC3)cc2)cc1
CCOC(=O)C1CCN(CCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCN2CCCC2)cc1
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCN2CCCC2)cc1
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)c1
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)c1
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
CCOC(=O)C1CCN(CCCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCC3)cc2)c1
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCC3)cc2)cc1
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCCC3)cc2)c1
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCCC3)cc2)cc1
CCOC(=O)C1CCN(CCCCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1
FC(F)(F)c1cccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)c1
CC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1
Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1
O=C(Nc1cccc2ccccc12)NS(=O)(=O)c1ccc(OCCCN2CCCC2)cc1
CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1
FC(F)(F)c1ccccc1NC(=O)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
COc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
CC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1
O=C(NC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ccncc1 |r,wU:4.7,wD:8.8,1.0,(-3.3,-44.06,;-1.96,-44.83,;-.63,-45.59,;.7,-44.83,;.7,-43.29,;-.63,-42.51,;-1.96,-43.29,;2.03,-42.53,;3.37,-43.3,;3.38,-44.83,;4.85,-45.29,;5.75,-44.03,;4.82,-42.8,;7.07,-43.25,;7.06,-41.71,;8.41,-44.01,;9.74,-43.23,;11.08,-44,;11.09,-45.54,;12.41,-43.22,;12.39,-41.69,;13.71,-40.9,;15.06,-41.66,;15.07,-43.21,;13.74,-43.98,;16.41,-43.97,;16.42,-45.51,;17.74,-43.19,;17.65,-44.86,;-3.29,-45.6,;-4.63,-44.83,;-5.96,-45.6,;-5.96,-47.14,;-4.61,-47.91,;-3.29,-47.14,;-7.29,-47.92,;-8.62,-47.16,;-9.95,-47.93,;-9.95,-49.47,;-8.6,-50.24,;-7.28,-49.46,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:8.8,1.0,(25.05,5.32,;26.39,4.55,;27.72,3.79,;29.05,4.55,;29.05,6.09,;27.72,6.87,;26.39,6.09,;30.38,6.86,;31.72,6.08,;31.73,4.55,;33.2,4.09,;34.1,5.35,;33.17,6.58,;35.42,6.13,;35.41,7.67,;36.76,5.37,;38.09,6.15,;39.43,5.39,;39.44,3.85,;40.76,6.17,;40.74,7.71,;42.06,8.48,;43.41,7.73,;43.42,6.18,;42.09,5.4,;44.76,5.41,;44.77,3.87,;46.09,6.19,;46,4.52,;25.06,3.78,;23.72,4.55,;22.39,3.78,;22.39,2.24,;23.74,1.47,;25.06,2.24,;21.06,1.46,;19.73,2.22,;18.4,1.45,;18.4,-.09,;19.75,-.86,;21.07,-.08,)|
OC1(CCN(CC1)c1cc(ccn1)C(F)(F)F)C(=O)N1CC[C@@H](C1)N[C@H]1CC[C@](O)(CC1)c1ccc(cn1)-c1ncccn1 |r,wU:25.27,wD:28.31,22.26,(7.23,-39.74,;7.24,-41.29,;7.24,-42.83,;8.57,-43.59,;9.9,-42.81,;9.9,-41.27,;8.56,-40.5,;11.24,-43.58,;12.56,-42.8,;13.9,-43.56,;13.91,-45.1,;12.57,-45.88,;11.24,-45.11,;15.22,-42.78,;16.56,-43.54,;15.21,-41.24,;16.55,-41.99,;5.9,-40.53,;5.89,-38.99,;4.57,-41.31,;3.68,-42.57,;2.21,-42.11,;2.19,-40.58,;3.65,-40.08,;.86,-39.8,;-.48,-40.57,;-.48,-42.11,;-1.81,-42.87,;-3.13,-42.11,;-4.47,-41.34,;-3.13,-40.57,;-1.81,-39.79,;-4.47,-42.88,;-5.8,-42.11,;-7.13,-42.88,;-7.13,-44.42,;-5.79,-45.19,;-4.46,-44.42,;-8.46,-45.2,;-9.79,-44.44,;-11.13,-45.21,;-11.12,-46.75,;-9.78,-47.52,;-8.45,-46.74,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(26.18,-29.46,;27.52,-30.23,;28.85,-30.99,;30.18,-30.23,;30.18,-28.69,;28.85,-27.91,;27.52,-28.69,;31.51,-27.93,;32.84,-28.7,;32.86,-30.23,;34.33,-30.69,;35.22,-29.43,;34.3,-28.2,;36.55,-28.66,;36.54,-27.12,;37.89,-29.42,;37.89,-30.95,;39.22,-31.71,;40.56,-30.94,;40.55,-29.39,;39.21,-28.63,;41.89,-31.7,;43.21,-30.92,;44.55,-31.68,;44.56,-33.23,;43.23,-34,;41.89,-33.24,;45.88,-30.9,;47.2,-30.12,;26.19,-31,;24.85,-30.23,;23.52,-31,;23.52,-32.55,;24.87,-33.31,;26.19,-32.54,;22.19,-33.32,;20.86,-32.56,;19.53,-33.33,;19.53,-34.87,;20.88,-35.64,;22.2,-34.86,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ncn1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(-3.69,-30.07,;-2.36,-30.84,;-1.03,-31.6,;.3,-30.84,;.3,-29.3,;-1.03,-28.52,;-2.36,-29.3,;1.64,-28.53,;2.97,-29.31,;2.99,-30.84,;4.46,-31.3,;5.35,-30.04,;4.43,-28.81,;6.68,-29.26,;6.67,-27.72,;8.02,-30.02,;8.02,-31.56,;9.35,-32.32,;10.68,-31.54,;10.67,-30,;9.33,-29.23,;12.02,-32.31,;13.34,-31.53,;14.67,-32.29,;14.68,-33.83,;13.35,-34.61,;12.02,-33.84,;16,-31.51,;17.34,-32.27,;15.99,-29.97,;17.33,-30.72,;-3.69,-31.61,;-5.02,-30.84,;-6.35,-31.61,;-6.35,-33.15,;-5.01,-33.92,;-3.68,-33.15,;-7.68,-33.93,;-9.02,-33.17,;-10.35,-33.94,;-10.34,-35.48,;-9,-36.25,;-7.67,-35.47,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1nccc(n1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(26.25,-19.16,;27.59,-19.93,;28.92,-20.7,;30.25,-19.93,;30.25,-18.39,;28.92,-17.62,;27.59,-18.39,;31.58,-17.63,;32.91,-18.4,;32.93,-19.94,;34.4,-20.4,;35.29,-19.14,;34.37,-17.9,;36.62,-18.36,;36.61,-16.82,;37.96,-19.12,;37.96,-20.65,;39.29,-21.41,;40.63,-20.64,;40.62,-19.1,;39.28,-18.33,;41.96,-21.4,;41.96,-22.94,;43.3,-23.7,;44.63,-22.93,;44.62,-21.38,;43.28,-20.62,;45.95,-20.6,;47.29,-21.36,;45.94,-19.06,;47.27,-19.82,;26.26,-20.71,;24.92,-19.94,;23.59,-20.71,;23.59,-22.25,;24.94,-23.02,;26.26,-22.24,;22.26,-23.02,;20.93,-22.26,;19.6,-23.03,;19.6,-24.57,;20.95,-25.34,;22.27,-24.56,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ccn1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(-3.38,-21.11,;-2.05,-21.88,;-.72,-22.64,;.61,-21.88,;.61,-20.34,;-.72,-19.56,;-2.05,-20.34,;1.95,-19.57,;3.28,-20.35,;3.3,-21.88,;4.77,-22.34,;5.66,-21.08,;4.74,-19.85,;6.99,-20.3,;6.98,-18.76,;8.33,-21.06,;8.33,-22.6,;9.66,-23.36,;10.99,-22.58,;10.99,-21.04,;9.65,-20.27,;12.33,-23.35,;13.65,-22.57,;14.99,-23.33,;15,-24.87,;13.66,-25.65,;12.33,-24.88,;16.31,-22.55,;17.65,-23.31,;16.3,-21.01,;17.64,-21.76,;-3.38,-22.65,;-4.71,-21.88,;-6.04,-22.65,;-6.04,-24.19,;-4.7,-24.96,;-3.37,-24.19,;-7.37,-24.97,;-8.71,-24.21,;-10.04,-24.98,;-10.03,-26.52,;-8.69,-27.29,;-7.36,-26.51,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cccc(n1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(26.16,-10.9,;27.49,-11.67,;28.82,-12.43,;30.15,-11.67,;30.15,-10.13,;28.82,-9.35,;27.49,-10.13,;31.49,-9.36,;32.82,-10.14,;32.84,-11.67,;34.31,-12.13,;35.2,-10.87,;34.28,-9.64,;36.53,-10.09,;36.52,-8.55,;37.87,-10.85,;37.87,-12.38,;39.2,-13.14,;40.53,-12.37,;40.53,-10.83,;39.19,-10.06,;41.87,-13.14,;41.87,-14.67,;43.2,-15.44,;44.54,-14.66,;44.53,-13.11,;43.19,-12.36,;45.85,-12.33,;47.19,-13.1,;45.84,-10.79,;47.18,-11.55,;26.16,-12.44,;24.83,-11.67,;23.5,-12.44,;23.5,-13.98,;24.84,-14.75,;26.17,-13.97,;22.17,-14.75,;20.83,-13.99,;19.5,-14.77,;19.51,-16.31,;20.85,-17.07,;22.18,-16.3,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(-3.21,-12.83,;-1.87,-13.6,;-.55,-14.36,;.78,-13.6,;.78,-12.06,;-.55,-11.28,;-1.87,-12.06,;2.12,-11.29,;3.45,-12.06,;3.47,-13.6,;4.94,-14.06,;5.83,-12.8,;4.91,-11.57,;7.16,-12.02,;7.15,-10.48,;8.5,-12.78,;8.5,-14.31,;9.83,-15.07,;11.16,-14.3,;11.16,-12.76,;9.82,-11.99,;12.5,-15.06,;12.5,-16.6,;13.83,-17.37,;15.17,-16.59,;15.16,-15.04,;13.82,-14.28,;16.48,-14.26,;17.82,-15.02,;16.47,-12.72,;17.81,-13.48,;-3.21,-14.37,;-4.54,-13.6,;-5.87,-14.37,;-5.87,-15.91,;-4.53,-16.68,;-3.2,-15.9,;-7.2,-16.68,;-8.53,-15.92,;-9.87,-16.69,;-9.86,-18.24,;-8.52,-19,;-7.19,-18.23,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncco1 |r,wU:4.7,wD:8.8,1.0,(24.38,-2.82,;25.71,-3.59,;27.04,-4.36,;28.37,-3.59,;28.37,-2.05,;27.04,-1.28,;25.71,-2.05,;29.71,-1.29,;31.04,-2.06,;31.06,-3.6,;32.53,-4.05,;33.42,-2.8,;32.5,-1.56,;34.75,-2.02,;34.74,-.48,;36.09,-2.78,;37.42,-2,;38.75,-2.76,;38.77,-4.3,;40.08,-1.98,;40.06,-.45,;41.38,.33,;42.73,-.43,;42.74,-1.97,;41.42,-2.75,;44.08,-2.73,;44.09,-4.27,;45.41,-1.95,;45.33,-3.62,;24.38,-4.37,;23.05,-3.59,;21.72,-4.37,;21.72,-5.91,;23.06,-6.68,;24.39,-5.9,;20.39,-6.68,;18.97,-6.07,;17.95,-7.21,;18.72,-8.54,;20.23,-8.22,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1nccs1 |r,wU:4.7,wD:8.8,1.0,(-4.43,-4.47,;-3.09,-5.24,;-1.76,-6,;-.43,-5.24,;-.43,-3.7,;-1.76,-2.92,;-3.09,-3.7,;.91,-2.94,;2.24,-3.71,;2.26,-5.24,;3.73,-5.7,;4.62,-4.44,;3.7,-3.21,;5.95,-3.67,;5.94,-2.13,;7.29,-4.43,;8.61,-3.65,;9.95,-4.41,;9.96,-5.95,;11.28,-3.63,;11.26,-2.1,;12.58,-1.32,;13.93,-2.08,;13.94,-3.62,;12.62,-4.4,;15.28,-4.38,;15.29,-5.92,;16.61,-3.6,;16.53,-5.27,;-4.42,-6.01,;-5.75,-5.24,;-7.09,-6.01,;-7.08,-7.56,;-5.74,-8.32,;-4.41,-7.55,;-8.42,-8.33,;-9.83,-7.71,;-10.85,-8.86,;-10.08,-10.19,;-8.58,-9.87,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1cnccn1 |r,wU:4.7,wD:8.8,1.0,(-4.25,4.39,;-2.91,3.62,;-1.58,2.85,;-.25,3.62,;-.25,5.16,;-1.58,5.93,;-2.91,5.16,;1.09,5.92,;2.42,5.15,;2.43,3.61,;3.9,3.16,;4.8,4.41,;3.88,5.65,;6.13,5.19,;6.11,6.73,;7.46,4.43,;8.79,5.21,;10.13,4.45,;10.14,2.91,;11.46,5.23,;11.44,6.76,;12.76,7.55,;14.11,6.78,;14.12,5.24,;12.79,4.46,;15.46,4.48,;15.47,2.94,;16.79,5.26,;16.71,3.59,;-4.24,2.84,;-5.57,3.62,;-6.91,2.84,;-6.91,1.3,;-5.56,.53,;-4.23,1.31,;-8.24,.53,;-9.57,1.29,;-10.9,.52,;-10.9,-1.02,;-9.55,-1.79,;-8.23,-1.01,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1cccnc1 |r,wU:4.7,wD:8.8,1.0,(49.25,-32.12,;50.59,-32.89,;51.92,-33.65,;53.24,-32.89,;53.24,-31.35,;51.92,-30.57,;50.59,-31.35,;54.58,-30.59,;55.91,-31.36,;55.93,-32.89,;57.4,-33.35,;58.29,-32.09,;57.37,-30.86,;59.62,-31.32,;59.61,-29.78,;60.96,-32.08,;62.29,-31.3,;63.63,-32.06,;63.64,-33.6,;64.96,-31.28,;64.94,-29.75,;66.26,-28.97,;67.61,-29.73,;67.62,-31.27,;66.29,-32.05,;68.96,-32.03,;68.97,-33.57,;70.28,-31.25,;70.2,-32.92,;49.25,-33.66,;47.92,-32.89,;46.59,-33.66,;46.59,-35.21,;47.93,-35.97,;49.26,-35.2,;45.26,-35.98,;43.93,-35.22,;42.6,-35.99,;42.6,-37.53,;43.94,-38.3,;45.27,-37.52,)|
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccn1 |r,wU:4.7,wD:8.8,1.0,(-7.61,-21.12,;-6.28,-21.89,;-4.95,-22.66,;-3.62,-21.89,;-3.62,-20.35,;-4.95,-19.58,;-6.28,-20.35,;-2.28,-19.59,;-.95,-20.36,;-.93,-21.9,;.54,-22.36,;1.43,-21.1,;.51,-19.86,;2.76,-20.32,;2.75,-18.78,;4.1,-21.08,;5.43,-20.3,;6.76,-21.06,;6.78,-22.6,;8.09,-20.28,;8.07,-18.75,;9.39,-17.97,;10.74,-18.73,;10.75,-20.27,;9.43,-21.05,;12.09,-21.03,;12.1,-22.57,;13.42,-20.25,;13.34,-21.92,;-7.61,-22.67,;-8.94,-21.9,;-10.27,-22.67,;-10.27,-24.21,;-8.93,-24.98,;-7.6,-24.2,)|
Cc1ccc(nc1)[C@]1(O)CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:15.16,7.8,(16.4,-38.74,;17.73,-37.97,;17.73,-36.43,;19.07,-35.65,;20.4,-36.43,;20.41,-37.96,;19.08,-38.74,;21.73,-35.65,;20.39,-34.88,;23.06,-36.42,;24.39,-35.65,;24.39,-34.11,;23.06,-33.34,;21.73,-34.11,;25.73,-33.35,;27.06,-34.12,;27.07,-35.66,;28.54,-36.11,;29.44,-34.86,;28.52,-33.62,;30.77,-34.08,;30.75,-32.54,;32.1,-34.84,;33.43,-34.06,;34.77,-34.82,;34.78,-36.36,;36.1,-34.04,;36.08,-32.51,;37.4,-31.73,;38.75,-32.49,;38.76,-34.03,;37.43,-34.81,;40.1,-34.79,;40.11,-36.33,;41.43,-34.01,;41.35,-35.68,)|
CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CC(C)NC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
O=C(NC1CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
O=C(NC1CCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
O=C(N1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
Fc1cc(ccc1-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1)C(=O)N1CCCC1
Fc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
Clc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CNC(=O)c1ccc(c(F)c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CN(C)C(=O)c1ccc(c(F)c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|
C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(F)cc1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C#N |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](O)C2)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)C(F)F)N1CCC[C@@H](N)C1 |r|
C[C@@H]1[C@H]2CN(CCC3(CCOCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
C[C@@H]1[C@H]2CN(CCCC3CCOCC3)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
C[C@@H]1[C@H]2CN(CCCC3(CCOCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCCC2)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(C)(O)C2)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=N/OC)N1CCC[C@@H](N)C1 |r|
[H][C@@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](O)C2)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](C2)OC)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)OC)N1CCC[C@@H](N)C1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)(F)C2)N1CCC[C@@H](N)C1 |r|
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN(CC1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C
Fc1ccc(cc1)C(CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1 |r|
COc1c(cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C)C(C)(C)C
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(C)(C)C
COc1c(cc(CN2CCN(CC2)C(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(c1)C(C)(C)C
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN([C@@H](C)C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C |r|
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN(C[C@@H]1C)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C |r|
CC(C)(C)c1ccc(cc1)C(=O)NCC1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NCC1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1
COc1c(cc(cc1C(C)(C)C)C(=O)NCC1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C
COc1c(cc(cc1C(C)(C)C)C(=O)NCC1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(C)(C)C
COc1cc(cc(OC)c1OC)C(=O)NCC1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1
Fc1ccc(cc1)C(CCCCCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1
COc1cc(CNCC2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC
CC(C)(C)c1cc(CNCC2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(CNCC2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(c1)C(C)(C)C
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NC[C@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NC[C@@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1c(cc(cc1C(C)(C)C)C(=O)NC[C@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C |r|
COc1c(cc(cc1C(C)(C)C)C(=O)NC[C@@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C |r|
Fc1ccc(cc1)C(CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1 |r|
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCC(CNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(C)(C)C
COc1cc(CN2CCC(CNCCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC
CC(C)(C)c1cc(CN2CCC(CNCCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(c1O)C(C)(C)C
COc1c(cc(CN2CCC(CNCCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)N1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Cn1c2CCC(Cc2c2cc(ccc12)C(=O)NCCCC(=O)NC1CC1)C1CCOCC1
CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
CN(CCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
CCN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CN(CCCC(=O)NC1COC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CN([C@H](CO)CCC(=O)NCCF)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CONC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)=C2)N1CCC[C@@H](N)C1 |r,c:21|
[H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=C/C(=O)N(C)C)N1CCC[C@@H](N)C1 |r|
[H][C@@]12CC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
[H][C@@]12CCC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
[H][C@@]12CC(=O)[C@@]([H])(C1)[C@]1([H])[C@@H](Oc3ccc(cc3)C#N)[C@@H](C[C@]21[H])N1CCC[C@@H](N)C1 |r|
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1
CS(=O)(=O)Cc1cc(nc(NC(=O)c2ccno2)n1)N1CCOCC1
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2
C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r|
CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1
CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1
O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1
Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5
O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1 |c:27|
CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccnc(OCC\C=C\COCc1c2)c3 |t:29|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3 |t:28|
CN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(11.34,3.76,;9.8,3.77,;9.03,2.44,;7.48,2.45,;6.7,1.12,;7.46,-.2,;9.01,-.22,;9.78,1.1,;6.69,-1.53,;7.6,-2.79,;6.69,-4.04,;5.21,-3.56,;3.88,-4.33,;2.55,-3.56,;2.55,-2.02,;3.88,-1.25,;5.21,-2.01,;1.22,-1.25,;-.12,-2.02,;-.12,-3.56,;-1.45,-1.25,;-1.47,.3,;-2.94,.75,;-3.83,-.51,;-2.9,-1.74,)|
CCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(9.61,2.88,;8.83,1.56,;7.29,1.57,;6.51,.24,;4.97,.25,;4.18,-1.08,;4.94,-2.41,;6.49,-2.42,;7.27,-1.1,;4.17,-3.74,;5.08,-4.99,;4.17,-6.25,;2.7,-5.77,;1.36,-6.54,;.03,-5.77,;.03,-4.22,;1.36,-3.45,;2.7,-4.22,;-1.3,-3.45,;-2.63,-4.22,;-2.63,-5.76,;-3.97,-3.45,;-3.99,-1.91,;-5.46,-1.46,;-6.34,-2.72,;-5.42,-3.95,)|
CN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
CCN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20|
CN1C[C@@H]2CN(C[C@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r|
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
CN1CCN(C)C(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
CN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r|
CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
CCN1CCOC(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
CCN1CCC[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
CCN1CCNC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r|
CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
FC(F)(F)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r|
Brc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1 |r|
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1 |r|
Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
FC(F)(F)c1cc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)ccc1Cl |r|
FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl |r|
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl |r|
CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Clc1ccc(NC(=O)N2CCN(CC3CCCNC3)CC2)cc1Cl
CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r|
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl |r|
OC(=O)c1cc(CN2CCN(CC2)c2ccc(Br)cc2)c2ccccn2c1=O
OC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c2ccccn2c1=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1C(O)=O)c1ccc(cc1)-c1ccccc1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1cccc(c1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1Cl)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(Cl)c1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1F)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(C)c1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)C1CCCCC1)c1cc(=O)[nH]cn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)N1CCC1=O)c1cc(=O)[nH]cn1
COCc1nc(no1)-c1ccc(cc1)N1C(=O)N(c2cc(=O)[nH]cn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-n1cccn1)c1cc(=O)[nH]cn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1
Cc1nc(C)c(s1)-c1ccc(cc1)N1C(=O)N(c2cc(=O)[nH]cn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(s1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1csc(c1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1coc(c1)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1cnc(=O)[nH]c1)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1)c1cc(=O)[nH]cn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)N1CCOCC1)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)[nH][nH]1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2[nH]ncc2c1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2nc[nH]c2c1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O
CNC(=O)c1ccc(cc1)-c1ccc(cc1)N1C(=O)N(c2cc(OC)ncn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1cc(=O)[nH]cn1
Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cc(ncn1)C(F)(F)F
Cc1nccc(n1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
COc1nccnc1N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1nccnc1C
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ncccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cnccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1cnccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccncn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccccc1C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2cn[nH]c2c1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cnccn1
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F
COCC1=Nc2cc(nn2[C@@H](C1C(=O)N1CCC[C@H]1c1cc(C)no1)c1cc2ccccc2n1C)C(F)(F)F |r,t:3|
CC(C)(C)Oc1cccc2nc(N)nc(N)c12
Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1
CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r|
C(CNCCN(c1ccccc1)c1ccccc1)Cc1ccccc1
C(CC(c1ccccc1)c1ccccc1)NCCc1ccccc1
C(CNCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
C(CN(c1ccccc1)c1ccccc1)NCCc1ccccc1
Fc1ccc(cc1)N(CCNCCc1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCNCCCc1ccccc1)c1ccc(F)cc1
O=C(Cc1ccccc1)NCCN(c1ccccc1)c1ccccc1
Fc1ccc(cc1)N(CCNC(=O)CCc1ccccc1)c1ccc(F)cc1
OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
CCOc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:8.7,c:12|
COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:7.6,c:11|
CC(C)COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:10.9,c:14|
CC(C)Oc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:9.8,c:13|
N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14|
N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19|
N[C@@H]1CCCN(C1)c1c(Cl)cccc1C=C1SC(O)=NC1=O |r,w:14.15,c:20|
N[C@@H]1CCCN(C1)c1c(Br)cccc1C=C1SC(O)=NC1=O |r,w:14.15,c:20|
CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
CC1(C)NC(=O)Cn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1
Cc1ccc(Nc2c(nc3n2CCN(C(=O)C(C)(C)N)C3(C)C)-c2ccc(F)cc2)cc1
CC(C)(N)C(=O)N1CCn2c(Nc3ccc(F)cc3)c(nc2C1(C)C)-c1ccc(F)cc1
CC1(C)N(CCn2c(Nc3ccc(F)c(F)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN
CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN
CC(C)[C@H]1N(CCn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN |r|
O=C1CCc2ncccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C1CCc2cnccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C1CCc2ccncc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cnccc2[nH]c1=O
Fc1ccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c2c1
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1
Fc1ccc2N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)C(=O)CCc2c1
Fc1cccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c12
O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1
Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1
Fc1cccc2N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)C(=O)CCc12
Fc1ccc2CCC(=O)N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1
O=C1CCc2cccnc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Fc1cccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c12
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C1CCc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Fc1cccc2CCC(=O)N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c12
O=C1CCc2ccccc2N1OCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ncccc2[nH]c1=O
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cccnc2[nH]c1=O
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccncc2[nH]c1=O
CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
CC(=O)Nc1ccc2CCN(c2c1)c1cc(NC2CC2)n2ncc(C#N)c2n1
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)[C@@H](C)CC |r|
CCOCC1(COCC)N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
C1CC(CCO1)[C@@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
C1CC(CCS1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
O=S1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
O=S1(=O)CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
C1CC(CCN1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
CC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
CS(=O)(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
CNC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
COC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
C(N1CCN(Cc2ccccc2)CC1)c1nc(no1)-c1ccccc1
C(N1CCN(Cc2ccccc2)CC1)c1nnc(o1)-c1ccccc1
CN(Cc1nc(no1)-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
CN(Cc1nnc(o1)-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
C(N1CCN(Cc2nc3ccccc3s2)CC1)c1nc(no1)-c1ccccc1
C(N1CCN(Cc2nc3ccccc3s2)CC1)c1nnc(o1)-c1ccccc1
C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1noc(n1)-c1cccc(Cl)c1 |r|
C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1nnc(o1)-c1cccc(Cl)c1 |r|
C1CN2CCC1C(C2)c1nc(no1)-c1ccc(o1)-c1cccnc1 |THB:8:6:1.0:3.4,(29.34,1.99,;29.39,3.56,;30.7,2.53,;29.94,.55,;30.14,-.76,;30.63,.99,;32.38,1.3,;32.52,2.84,;33.52,.26,;35.03,.57,;35.79,-.77,;34.75,-1.91,;33.34,-1.27,;37.32,-.94,;38.08,-2.28,;39.58,-1.98,;39.76,-.45,;38.36,.19,;41.1,.31,;42.42,-.47,;43.76,.29,;43.78,1.83,;42.44,2.61,;41.11,1.85,)|
C1CN2CCC1C(C2)c1nnc(o1)-c1ccc(o1)-c1cccnc1 |THB:8:6:1.0:3.4,(-8.86,-9.77,;-8.8,-8.2,;-7.49,-9.23,;-8.25,-11.21,;-8.05,-12.51,;-7.56,-10.77,;-5.81,-10.45,;-5.67,-8.92,;-4.68,-11.49,;-4.85,-13.02,;-3.45,-13.66,;-2.41,-12.53,;-3.17,-11.19,;-.88,-12.7,;-.12,-14.04,;1.39,-13.73,;1.56,-12.2,;.16,-11.56,;2.9,-11.44,;4.23,-12.23,;5.57,-11.47,;5.58,-9.93,;4.25,-9.15,;2.91,-9.91,)|
CCOC(=O)N1CCN(Cc2noc(n2)-c2cc(Cl)ccc2F)CC1
CCOC(=O)N1CCN(Cc2nnc(o2)-c2cc(Cl)ccc2F)CC1
CCOC(=O)N1CCN(Cc2nc(no2)-c2cccc(Cl)c2)CC1
CCOC(=O)N1CCN(Cc2nnc(o2)-c2cccc(Cl)c2)CC1
CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]nn1
Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1
c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2
CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1
Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OC(F)(F)F)cc1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccccc1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccc(C)cc1C |r|
FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1 |r|
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
OCc1cc(ccn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
Cc1nn(nc1C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1)-c1ccccc1 |r|
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1 |r|
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
Cc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1ccncc1 |r|
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1ncc(cc1F)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
FC(F)(F)CCOc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cncnc3)c2C1 |r|
Cc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
COc1cnc(nc1NCc1ccccc1F)-c1ccccn1
COc1cnc(nc1NCc1c(F)cc(F)cc1F)-c1ccccn1
COc1cnc(nc1NCc1ccc(F)cc1C(F)(F)F)-c1ccccn1
Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r|
CC(C)(C#N)c1cnc(s1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cccnc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccncc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ncccc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCOCc2s1 |r|
CC1(C)COCc2sc(nc12)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|
CCc1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)C1CC1 |r|
CC(C)(C)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
FC(F)(F)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
FC(F)(F)c1nc(sc1Cl)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Cc1nc(sc1C)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nccs1 |r|
Cc1sc(nc1C(F)(F)F)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Cc1ccc(cc1)S(=O)(=O)[N@]2CCCC[C@@H]2C(=O)Nc3nc(cs3)c4ccc(cc4)OC
COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C#N |r|
COCc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r|
Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O |r|
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1 |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCOCC1
Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCOCC3)c2c1
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F
C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](C(O)=O)c1ccc([C@@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r|
CC(Cc1ccc(cc1)[N+]([O-])=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
FC(F)(F)Oc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
CC1CN(CCc2ccc(cc2)[N+]([O-])=O)CCN1CCc1ccc(cc1)[N+]([O-])=O
CC(CN1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccc(cc1)[N+]([O-])=O
CCOc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3cccc4C(=O)OCc34)CC2)cc1
CCOC(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)CC3)ccc12
N#Cc1ccc(CCN2CCN(CCc3ccc4nonc4c3)CC2)cc1
C(Cc1ccc2nonc2c1)N1CCN(CCc2ccc3nonc3c2)CC1
O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12
CS(=O)(=O)c1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(F)cc3)CC2)cc1
N#Cc1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1
COc1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
O=C1OCc2cc(CCN3CCN(CCc4ccc(C#N)c(OC5CC5)c4)CC3)ccc12
CSc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
CNc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
Brc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3ncco3)CC2)cc1
CS(=O)(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Clc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
[O-][N+](=O)c1ccc(CCN2CCNCC2)cc1
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
[O-][N+](=O)c1ccc(CCN2CCN(CCc3cccc(c3)C#N)CC2)cc1
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4[n-][o+]nc4c3)CC2)cc1
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3ncccc23)c1)C#N
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3nc(F)ccc23)c1)C#N
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3nc(N)ccc23)c1)C#N
Cc1cc(ccc1-c1ccnc(NCc2[nH]nc(c2Cl)-c2ccccc2)c1)C#N
Cc1cc(ccc1-c1ccnc(NCc2cc(n[nH]2)-c2ccccn2)c1)C#N
Cc1cc(ccc1-c1ccnc(NCc2[nH]nc(c2Cl)-c2ccccn2)c1)C#N
C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|
CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3
C[C@@H](NC(=O)Cc1ccc(cc1)N1CC[C@H](F)C1)c1ccc(OCC(F)(F)F)cn1 |r|
C[C@@H](NC(=O)Cc1ccc(cc1)-c1ocnc1C)c1ccc(OCC(F)(F)F)cn1 |r|
C[C@@H](NC(=O)Cc1ccc(cc1)-c1cnn2ncccc12)c1ccc(OCC(F)(F)F)cn1 |r|
C[C@@H](NC(=O)Cc1ccc(cc1)-c1nccnc1C)c1ccc(OCC(F)(F)F)cn1 |r|
C[C@@H](c1ccc(cn1)F)Nc2ncc(c(n2)Nc3cc(n[nH]3)OC(C)C)Cl
C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1 |r|
C[C@H](Nc1ccc2ncn(-c3cc(C)[nH]n3)c2n1)c1ncc(F)cn1 |r|
CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](CO)c3ccc(F)cn3)nc12 |r|
CC(C)Oc1cc(n[nH]1)-n1cnc2cnc(N[C@@H](C)c3ncc(F)cn3)nc12 |r|
CC(C)Oc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1 |r|
CCOc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1 |r|
COc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1 |r|
C1CCN(CC1)[C@H]([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|
C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|
C1CCN(C1)[C@H]([C@@H](N1CCCC1)c1ccccc1)c1ccccc1 |r|
C1CCN(C1)[C@@H]([C@H](N1CCCC1)c1ccccc1)c1ccccc1 |r|
C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccoc1 |r,wU:8.8,(21.23,-.78,;22.37,.25,;23.89,.09,;24.79,1.32,;24.17,2.73,;22.65,2.89,;21.75,1.65,;20.22,1.49,;19.9,-.01,;19.9,-1.55,;18.56,-2.31,;17.23,-1.55,;17.23,-.01,;18.56,.77,;19.32,-.56,;17.82,-.96,;26.33,1.34,;27.22,2.6,;28.69,2.15,;28.72,.6,;27.26,.11,)|
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Cc1cnc2n(nnc2c1)-c1ccc(nc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
Cc1cnc2n(nnc2c1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)c1ccc(cc1)-c1cnn2cccnc12 |r|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCNCC1)c1ncc([nH]1)C#N |t:10|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10|
OCCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:28|
CS(=O)(=O)CCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCN2CCOCC2)CC1)c1ncc([nH]1)C#N |t:10|
CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:28|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)c1cccnc1)c1ncc([nH]1)C#N |t:10|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
CS(=O)(=O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:32|
Cn1cnc(CC(=O)N2CCC(CC2)c2ccc(NC(=O)c3ncc([nH]3)C#N)c(c2)C2=CCCCC2)c1 |t:33|
O=C(Cc1cccnc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
O=C(CN1CCOCC1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
CC(C)(N)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
OCCNC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)c1ccc(cc1)-c1cnccn1 |r|
Clc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(cc1)-n1nnc2cccnc12 |r|
CN(C)c1cncc(n1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
CNc1cncc(n1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 |r|
O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)c1ccc(cc1)-c1ccccc1 |r|
Cn1cc(cn1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1nccc2ccccc12 |r|
O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)c1ccc(cc1)-n1nnc2cccnc12 |r|
Clc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(cn1)-n1nnc2cccnc12 |r|
Clc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(nc1)-n1nnc2cccnc12 |r|
Cc1cncc(n1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(C)ccc2c1)-c1cc(Cl)cc(Cl)c1 |r|
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl |r|
Cc1ccc2nnn(-c3ccc(cc3)C(=O)N([C@@H]3CCCNC3)c3ncccc3Cl)c2n1 |r|
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.27.3,27:26:6:4.3.2,THB:8:7:6:4.3.2,27:3:7.26.28:6,2:3:7:28.1.6,2:1:7:4.27.3,(22.49,-24.74,;22.5,-26.29,;23.9,-26.84,;23.92,-28.37,;22.53,-28.74,;21.2,-28.27,;21.16,-26.79,;20.03,-29.58,;18.7,-30.36,;17.36,-29.59,;17.36,-28.05,;16.03,-30.37,;14.7,-29.6,;13.37,-30.37,;13.37,-31.92,;14.7,-32.69,;16.04,-31.92,;17.37,-32.68,;18.14,-34.01,;18.91,-32.68,;12.03,-32.69,;10.7,-31.91,;9.37,-32.68,;9.36,-34.22,;10.69,-34.99,;12.04,-34.23,;21.52,-29.12,;22.93,-29.66,;21.48,-27.53,)|
CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC
COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)N(C)C)nc2[nH]cc(C#N)c12
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SCC(=O)NC)nc2[nH]cc(C#N)c12
CCN(CC)CCSc1nc(-c2cc(OC)c(cc2Cl)C#N)c2c(c[nH]c2n1)C#N
CCN(CC)CCSc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SC)nc2[nH]cc(C#N)c12
CSc1nc(-c2cc(OCCN3CCCC3)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N
Cc1cc(F)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl |r|
Cc1cc(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N |r|
Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1c(Cl)ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)c1Cl |r|
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl |r|
Cc1cc(F)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1cc(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1 |r|
OC(=O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)cc2Cl)CC1 |r|
OC(=O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)cc2)CC1 |r|
OC(=O)[C@H](Cc1cccc(c1)C(F)(F)F)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
COc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1 |r|
COc1ccccc1C[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1 |r|
Cc1cccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)c1 |r|
Cc1ccccc1C[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
OC(=O)[C@H](Cc1ccc(cc1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1cccc(c1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1cccc(F)c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1F)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@@H](Cc1ccccc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1ccc(CN2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)cc1
OC(=O)c1cccc(CN2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)c1
OC(=O)c1ccccc1CN1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)COc1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)COc1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)COc1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)Cc1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)Cc1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)Cc1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
OC(=O)[C@@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
OC(=O)C(N1CCO[C@H](CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 |r|
OC(=O)C(N1CCCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
OC(=O)C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)c1ccccc1
CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NCc1ccc(cc1)C(O)=O |r|
COCCONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N |r|
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C |r|
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1Cl |r|
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC#N |r|
COCC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r|
Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.22,wD:16.18,(18.97,-45.21,;18.92,-46.74,;20.23,-47.56,;20.18,-49.09,;18.83,-49.82,;17.52,-49.01,;16.04,-49.44,;15.18,-48.17,;16.11,-46.95,;17.56,-47.47,;21.59,-46.83,;22.9,-47.64,;24.25,-46.91,;24.3,-45.37,;22.99,-44.56,;21.64,-45.29,;25.66,-44.64,;26.97,-45.45,;28.32,-44.72,;28.37,-43.19,;29.73,-42.46,;31.04,-43.26,;30.99,-44.81,;32.39,-42.54,;27.06,-42.37,;25.71,-43.1,)|
OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1
OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC
Fc1cnc(CCN2C(C(=O)NCc3ccc(F)c(c3)C(F)(F)F)c3ccccc3C2=O)nc1
Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1
Fc1cccc2C(N(CCc3ccccn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
Cc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
Fc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Fc1cnc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)nc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3cnccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ncccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CC(F)(F)c3ccccn3)C(=O)c3ccccc23)cc1
CC(C)(Cc1ccccn1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
CC(Cc1ccccn1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
FC(F)(F)Oc1ccc(CNC(=O)C2N(Cc3ccc(cn3)C(F)(F)F)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCOc3ccccn3)C(=O)c3ccccc23)cc1
Cc1cccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)n1
Fc1ccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)nc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccncc3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3cccnc3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCC#N)C(=O)c3ccccc23)cc1
CC(CC#N)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1
CC(C)(C)OC(=O)N1CC(C1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
CC(C)(C)OC(=O)N1CCC(CC1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
FC(F)(F)Oc1ccc(CNC(=O)C2N([C@H]3CC[C@@H](CC3)C#N)C(=O)c3ccccc23)cc1 |r,wU:15.14,wD:18.21,(34.65,-34.73,;33.14,-35.05,;32.67,-36.52,;34.23,-36.13,;32.11,-33.91,;30.6,-34.23,;30.13,-35.7,;28.62,-36.02,;27.6,-34.87,;26.09,-35.19,;25.62,-36.66,;24.11,-36.98,;23.08,-35.83,;23.64,-38.44,;24.55,-39.7,;26.09,-39.69,;26.85,-38.36,;28.39,-38.36,;29.16,-39.7,;28.38,-41.03,;26.85,-41.03,;30.7,-39.7,;32.24,-39.71,;23.64,-40.95,;24.11,-42.41,;22.16,-40.47,;20.83,-41.24,;19.49,-40.47,;19.5,-38.93,;20.82,-38.16,;22.16,-38.92,;28.06,-33.41,;29.56,-33.09,)|
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(C[C@@H]3CCCO3)C(=O)c3ccccc23)cc1 |r|
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCC3CCOCC3)C(=O)c3ccccc23)cc1
FC(F)(F)CCOc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
FC(F)(F)COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1
CC(NC(=O)C1N(CCc2ccccn2)C(=O)c2ccccc12)c1ccc(OCC(F)(F)F)cc1
FC(F)(F)COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Cc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)Oc1cccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)c1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
FC(F)(F)c1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Brc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](F)C3)c2c1 |r|
F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1 |r|
F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|
CO[C@@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|
CO[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|
CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1cc2OCCOc2cn1 |r|
CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](O)C3)c2c1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](O)C3)c2c1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@@H](O)C3)c2c1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1 |r|
O[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
O[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1ccc2OCC(=O)Nc2n1 |r|
O[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1 |r|
O[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r|
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@@H](F)C3)c2c1 |r|
Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCCCCC#C)c1
OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
CS(=O)(=O)c1ccc(cc1F)C(CC1CCCC1)C(=O)Nc1nccs1
CS(=O)(=O)c1ccc(cc1Cl)[C@@H](CC1CCCC1)C(=O)Nc1cnccn1 |r|
Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
CCN(CCO)C(=O)c1cc2cccnn2c1-c1cccc(C)c1
CCN(CCO)C(=O)c1cc2cccnn2c1-c1cccc(c1)C(F)(F)F
OCC1CCCCN1C(=O)c1cc2ccccn2c1-c1cccc(c1)C#N
COc1cccc(c1)-c1c(cc2ccccn12)C(=O)N1CCCCC1CO
CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(OC)n1
CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(OC)c1
CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1
CNc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1
C[C@H]1CN(CCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1 |r|
C(CN1CCOCC1)Oc1ccn(n1)C1CCCCC1
C(CN1CCOCC1)Oc1ccn(n1)-c1ccc2ccccc2c1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl
CC(=O)C1CCN(CCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1
CCOC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
CN1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
Cc1cc(SCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C#N)c(c1)C(F)(F)F
Cn1ccnc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
CC(C)(C)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
COCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
CCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccc(c2)C#N)c(c1)C(F)(F)F
Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 |r|
C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 |r|
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Fc1cc(ccc1Cl)C(Oc1ccccc1)C1CNC1
Clc1ccc(OC(C2CNC2)c2ccc3ccccc3c2)cc1Cl
C1NCC1C(Oc1ccccc1)c1ccc2ccccc2c1
CCCOC(C1CNC1)c1ccc2ccccc2c1
CCCOC(C1CNC1)c1ccc(Cl)c(Cl)c1
CN(C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl
Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)c1Cl
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)cc1Cl
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1C
COc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
O=S(=O)(NCc1ccccc1)c1cccc(Nc2ccc3nccc(-c4ccncc4)c3n2)c1
NS(=O)(=O)c1cccc(c1)-c1ccc2nccc(-c3ccncc3F)c2n1
OCCNS(=O)(=O)c1cccc(Nc2ccc3nccc(-c4ccncc4)c3n2)c1
NS(=O)(=O)c1cccc(c1)-c1ccc2nccc(-c3ccnc(c3)C(F)(F)F)c2n1
C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC
COc1cc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1
Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cc1F
Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cn1
Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)nc1
COc1cc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cnc1-n1cnc(C)c1
Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCCCc3c2c1
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:12|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)C#CC1CC1 |r,t:12|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cc(F)cc2F)c1cccc(c1)-c1cncc(c1)C#CC |r,t:12|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC |r,t:12|
CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(F)c1 |t:12|
CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:12|
Cc1cc(cn(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:11|
COc1c(C)cc(cc1C#N)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:13|
COc1c(C)cc(nc1C)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:12|
COc1ccc(cc1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10|
CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(N)c2c1cccc2F)c1ccnc(c1)C(F)F |t:18|
NC1=N[C@@](c2cc(F)cc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F |r,t:1|
COc1cc(ccn1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10|
NC1=NC(c2cccc(F)c12)(c1ccnc(c1)C1CC1)c1cccc(c1)-c1cncnc1 |t:1|
Cc1cc(cc(C)n1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10|
NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncc(c1)C#N)c1ccnc(c1)C(F)(F)F |t:1|
NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F |t:1|
NC1=NC(c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncc(F)c1 |t:1|
NC1=NC(c2ccccc12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F |t:1|
NC1=NC(c2ccccc12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |t:1|
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)N1CCOc2ccccc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(F)ccc12
F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
CC#Cc1cncc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1 |c:23,t:19|
CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCN(CC1)C(C)=O |c:21,t:17|
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCOCC1 |c:21,t:17|
CC1=NC(N=C1N)(C1CCCCC1)c1cccc(c1)-c1cccnc1 |c:4,t:1|
CC1=NC(N=C1N)(C1CC1)c1cccc(c1)-c1cncc(Cl)c1 |c:4,t:1|
CC1=N[C@](Cc2ccccc2)(N=C1N)c1cccc(c1)-c1cncnc1 |r,c:12,t:1|
COc1c(C)cc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncc(c1)C#CC |c:16,t:12|
COc1c(C)cc(cc1C)[C@@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 |r,c:16,t:12|
COc1ccc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 |c:15,t:11|
COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cccnc1 |c:14,t:10|
COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 |c:14,t:10|
CC1=NC(N=C1N)(c1ccc(F)cc1)c1cccc(c1)-c1cccnc1 |c:4,t:1|
COc1ccc(cc1)C1(N=C(N)C(=N1)C(C)C)c1cccc(c1)-c1cncnc1 |c:13,t:10|
CC(C)C1=NC(N=C1N)(c1ccccc1)c1cccc(c1)-c1cncnc1 |c:6,t:3|
CC1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 |c:5,t:1|
COc1cccc(c1)-c1cccc(c1)C1(C)N=C(C)C(N)=N1 |c:22,t:18|
CC(C)C1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 |c:7,t:3|
CC1(N=C(N)C(=N1)c1ccccc1)c1cccc(c1)-c1cccnc1 |c:5,t:2|
C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5
CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1
Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1
Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1
Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)C(O)=O)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc12
CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|
CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r|
Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r|
CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1 |r|
Fc1cncc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1
COc1cccc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1
Fc1cccc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1
CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5
CC(C)(C)c1ccc(CNC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C |r|
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1 |r|
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)|
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC2COC2)c2cnccc12
CCCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N(C)C
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F
Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1
Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)NC1CC1
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCOCC1
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N(C)C
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
CNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(OC)nc1
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCN(C)CC1
Nc1ncc(cc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1
Nc1ncc(cc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Cc1nc(no1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1noc(C)n1 |r|
Cn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@]1(N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Cc1nc(no1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Fc1ccc(cc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)(c1ccccc1)c1ccccc1 |r|
Cc1nc(no1)[C@@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r|
Cc1nc(no1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r|
Cn1cc(cn1)[C@@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r|
Cn1cc(cn1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1 |r|
CSc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:7.8,(30.14,-49.33,;30.3,-50.86,;31.71,-51.48,;33.05,-50.7,;34.2,-51.73,;33.58,-53.16,;32.04,-52.99,;34.36,-54.5,;33.58,-55.83,;35.13,-55.84,;36.67,-55.84,;37.45,-54.5,;36.67,-53.18,;35.13,-53.18,;38.99,-54.5,;40.08,-55.6,;41.16,-54.5,;40.07,-53.42,;42.7,-54.5,;43.47,-53.17,;42.7,-51.84,;45.01,-53.17,;45.78,-54.5,;47.32,-54.5,;48.1,-55.83,;48.09,-53.16,;49.63,-53.17,;50.4,-51.84,;49.63,-50.5,;48.08,-50.51,;47.32,-51.84,;47.31,-49.18,;48.07,-47.84,;45.77,-49.19,;46.53,-47.83,)|
CC(C)Oc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:13.17,wD:9.10,(2.79,-48.35,;4.2,-48.98,;5.44,-48.07,;4.37,-50.51,;5.78,-51.13,;7.11,-50.35,;8.27,-51.38,;7.65,-52.81,;6.1,-52.64,;8.42,-54.15,;7.65,-55.48,;9.19,-55.49,;10.73,-55.49,;11.51,-54.15,;10.73,-52.83,;9.19,-52.83,;13.05,-54.15,;14.14,-55.25,;15.23,-54.15,;14.14,-53.07,;16.77,-54.15,;17.53,-52.82,;16.76,-51.49,;19.07,-52.82,;19.85,-54.15,;21.39,-54.15,;22.16,-55.48,;22.15,-52.81,;23.7,-52.82,;24.46,-51.48,;23.69,-50.15,;22.14,-50.16,;21.38,-51.49,;21.37,-48.83,;22.13,-47.49,;19.83,-48.84,;20.59,-47.48,)|
CC(C)c1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:12.16,wD:8.9,(46.92,-37.04,;47.08,-38.57,;45.84,-39.48,;48.49,-39.19,;49.83,-38.41,;50.98,-39.45,;50.36,-40.87,;48.82,-40.7,;51.14,-42.21,;50.36,-43.54,;51.91,-43.55,;53.45,-43.55,;54.22,-42.21,;53.45,-40.89,;51.91,-40.89,;55.76,-42.21,;56.85,-43.31,;57.94,-42.22,;56.85,-41.13,;59.48,-42.21,;60.25,-40.88,;59.48,-39.55,;61.79,-40.88,;62.56,-42.21,;64.1,-42.21,;64.87,-43.54,;64.87,-40.87,;66.41,-40.88,;67.18,-39.55,;66.41,-38.21,;64.86,-38.22,;64.1,-39.55,;64.08,-36.89,;64.85,-35.55,;62.54,-36.9,;63.3,-35.54,)|
CCc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:7.8,(22.33,-36.85,;22.5,-38.38,;23.9,-39,;25.24,-38.23,;26.4,-39.26,;25.78,-40.68,;24.23,-40.52,;26.55,-42.02,;25.78,-43.35,;27.32,-43.36,;28.86,-43.36,;29.64,-42.03,;28.86,-40.7,;27.32,-40.7,;31.18,-42.02,;32.27,-43.12,;33.36,-42.03,;32.27,-40.94,;34.9,-42.03,;35.66,-40.69,;34.89,-39.36,;37.2,-40.69,;37.98,-42.02,;39.52,-42.02,;40.29,-43.35,;40.28,-40.69,;41.82,-40.69,;42.59,-39.36,;41.82,-38.03,;40.27,-38.03,;39.51,-39.37,;39.5,-36.7,;40.26,-35.36,;37.96,-36.71,;38.72,-35.36,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(3.07,-42.27,;3.85,-40.94,;4.62,-42.28,;6.16,-42.28,;6.93,-40.95,;6.16,-39.62,;4.62,-39.62,;8.47,-40.94,;9.57,-42.04,;10.65,-40.95,;9.56,-39.86,;12.19,-40.95,;12.96,-39.61,;12.19,-38.28,;14.5,-39.61,;15.27,-40.94,;16.81,-40.94,;17.58,-42.27,;17.58,-39.61,;19.12,-39.61,;19.89,-38.28,;19.12,-36.94,;17.57,-36.95,;16.81,-38.29,;16.79,-35.62,;17.56,-34.28,;15.25,-35.63,;16.01,-34.28,;3.07,-39.6,;3.69,-38.18,;2.54,-37.14,;1.2,-37.92,;1.53,-39.44,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1nc2ccccc2s1 |r,wU:4.7,wD:1.0,(45.85,-30.42,;46.63,-29.09,;47.4,-30.43,;48.94,-30.43,;49.71,-29.09,;48.94,-27.77,;47.4,-27.77,;51.25,-29.09,;52.34,-30.19,;53.43,-29.09,;52.34,-28.01,;54.97,-29.09,;55.74,-27.76,;54.97,-26.43,;57.28,-27.76,;58.05,-29.09,;59.59,-29.09,;60.36,-30.42,;60.36,-27.75,;61.9,-27.76,;62.67,-26.43,;61.89,-25.09,;60.35,-25.1,;59.59,-26.43,;59.57,-23.77,;60.33,-22.43,;58.03,-23.78,;58.79,-22.42,;45.85,-27.75,;46.47,-26.32,;45.32,-25.29,;45.31,-23.75,;43.97,-22.98,;42.63,-23.77,;42.64,-25.31,;43.98,-26.07,;44.31,-27.58,)|
Cc1cnc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:10.14,wD:6.7,(20.16,-25.57,;21.57,-26.19,;22.91,-25.42,;24.06,-26.45,;23.44,-27.88,;21.9,-27.71,;24.22,-29.21,;23.44,-30.54,;24.99,-30.55,;26.53,-30.55,;27.3,-29.22,;26.53,-27.89,;24.99,-27.89,;28.84,-29.21,;29.94,-30.31,;31.02,-29.22,;29.93,-28.13,;32.56,-29.22,;33.33,-27.88,;32.56,-26.55,;34.87,-27.88,;35.64,-29.21,;37.18,-29.21,;37.95,-30.54,;37.95,-27.88,;39.49,-27.88,;40.26,-26.55,;39.49,-25.22,;37.94,-25.22,;37.18,-26.56,;37.16,-23.89,;37.93,-22.56,;35.62,-23.9,;36.38,-22.55,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccns1 |r,wU:4.7,wD:1.0,(1.53,-29.48,;2.31,-28.16,;3.08,-29.49,;4.62,-29.49,;5.39,-28.16,;4.62,-26.83,;3.08,-26.83,;6.93,-28.16,;8.03,-29.25,;9.11,-28.16,;8.02,-27.07,;10.65,-28.16,;11.42,-26.82,;10.65,-25.49,;12.96,-26.82,;13.73,-28.16,;15.27,-28.15,;16.04,-29.49,;16.04,-26.82,;17.58,-26.83,;18.35,-25.49,;17.58,-24.16,;16.03,-24.16,;15.27,-25.5,;15.25,-22.83,;16.02,-21.5,;13.71,-22.84,;14.47,-21.49,;1.53,-26.82,;2.16,-25.39,;1.01,-24.36,;-.34,-25.14,;-.01,-26.65,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1nccs1 |r,wU:4.7,wD:1.0,(44.93,-18.89,;45.71,-17.56,;46.48,-18.9,;48.02,-18.9,;48.79,-17.57,;48.02,-16.24,;46.48,-16.24,;50.33,-17.56,;51.42,-18.66,;52.51,-17.57,;51.42,-16.48,;54.05,-17.57,;54.82,-16.23,;54.05,-14.9,;56.36,-16.23,;57.13,-17.56,;58.67,-17.56,;59.44,-18.89,;59.44,-16.23,;60.98,-16.23,;61.75,-14.9,;60.98,-13.56,;59.43,-13.57,;58.67,-14.91,;58.65,-12.24,;59.42,-10.9,;57.11,-12.25,;57.87,-10.9,;44.93,-16.22,;45.56,-14.8,;44.41,-13.77,;43.07,-14.55,;43.4,-16.06,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccs1 |r,wU:4.7,wD:1.0,(23.25,-19.58,;24.03,-18.25,;24.8,-19.59,;26.34,-19.59,;27.11,-18.26,;26.34,-16.93,;24.8,-16.93,;28.65,-18.26,;29.74,-19.35,;30.83,-18.26,;29.74,-17.17,;32.37,-18.26,;33.14,-16.92,;32.36,-15.59,;34.68,-16.92,;35.45,-18.25,;36.99,-18.25,;37.76,-19.58,;37.76,-16.92,;39.3,-16.92,;40.07,-15.59,;39.29,-14.26,;37.75,-14.26,;36.98,-15.6,;36.97,-12.93,;37.73,-11.6,;35.43,-12.94,;36.19,-11.59,;23.25,-16.92,;23.88,-15.49,;22.72,-14.46,;21.38,-15.24,;21.71,-16.75,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1nncs1 |r,wU:4.7,wD:1.0,(3.37,-19.41,;4.15,-18.08,;4.92,-19.41,;6.46,-19.41,;7.23,-18.08,;6.46,-16.75,;4.92,-16.75,;8.77,-18.08,;9.86,-19.17,;10.95,-18.08,;9.86,-16.99,;12.49,-18.08,;13.26,-16.75,;12.49,-15.41,;14.8,-16.74,;15.57,-18.08,;17.11,-18.07,;17.88,-19.41,;17.88,-16.74,;19.42,-16.75,;20.19,-15.41,;19.41,-14.08,;17.87,-14.08,;17.1,-15.42,;17.09,-12.76,;17.85,-11.42,;15.55,-12.76,;16.31,-11.41,;3.37,-16.74,;4,-15.31,;2.84,-14.28,;1.51,-15.06,;1.83,-16.57,)|
Cn1ccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:10.14,wD:6.7,(41.39,-3.02,;42.8,-3.64,;44.13,-2.86,;45.29,-3.9,;44.66,-5.32,;43.12,-5.15,;45.44,-6.66,;44.66,-7.99,;46.21,-8,;47.75,-8,;48.52,-6.66,;47.75,-5.34,;46.21,-5.34,;50.06,-6.66,;51.15,-7.75,;52.24,-6.66,;51.15,-5.58,;53.78,-6.66,;54.55,-5.33,;53.78,-3.99,;56.09,-5.33,;56.86,-6.66,;58.4,-6.66,;59.17,-7.99,;59.17,-5.32,;60.71,-5.33,;61.48,-3.99,;60.7,-2.66,;59.16,-2.67,;58.4,-4,;58.38,-1.34,;59.14,,;56.84,-1.35,;57.6,.01,)|
Cn1ccnc1[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:10.14,wD:6.7,(20.33,-6.81,;21.36,-5.67,;21.04,-4.16,;22.37,-3.38,;23.53,-4.41,;22.9,-5.83,;23.68,-7.17,;22.9,-8.5,;24.45,-8.51,;25.99,-8.51,;26.76,-7.18,;25.99,-5.85,;24.45,-5.85,;28.3,-7.17,;29.39,-8.27,;30.48,-7.18,;29.39,-6.09,;32.02,-7.18,;32.79,-5.84,;32.01,-4.51,;34.33,-5.84,;35.1,-7.17,;36.64,-7.17,;37.41,-8.5,;37.41,-5.83,;38.95,-5.84,;39.72,-4.51,;38.94,-3.17,;37.4,-3.18,;36.63,-4.51,;36.62,-1.85,;37.38,-.51,;35.08,-1.86,;35.84,-.51,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ncco1 |r,wU:4.7,wD:1.0,(1.13,-8.39,;1.91,-7.06,;2.68,-8.4,;4.22,-8.4,;4.99,-7.07,;4.22,-5.74,;2.68,-5.74,;6.53,-7.06,;7.62,-8.16,;8.71,-7.07,;7.62,-5.98,;10.25,-7.07,;11.02,-5.73,;10.25,-4.4,;12.56,-5.73,;13.33,-7.06,;14.87,-7.06,;15.64,-8.39,;15.64,-5.73,;17.18,-5.73,;17.95,-4.4,;17.17,-3.06,;15.63,-3.07,;14.86,-4.41,;14.85,-1.74,;15.61,-.4,;13.31,-1.75,;14.07,-.4,;1.13,-5.72,;1.76,-4.3,;.6,-3.27,;-.74,-4.05,;-.42,-5.56,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(OC2CCC2)nc1 |r,wU:4.7,wD:1.0,(46.38,-57.53,;47.16,-56.2,;47.93,-57.54,;49.47,-57.54,;50.24,-56.21,;49.47,-54.88,;47.93,-54.88,;51.78,-56.2,;52.87,-57.3,;53.96,-56.21,;52.87,-55.12,;55.5,-56.21,;56.27,-54.87,;55.5,-53.54,;57.81,-54.87,;58.58,-56.2,;60.12,-56.2,;60.89,-57.53,;60.89,-54.87,;62.43,-54.87,;63.2,-53.54,;62.42,-52.2,;60.88,-52.21,;60.12,-53.55,;60.1,-50.88,;60.86,-49.54,;58.56,-50.89,;59.32,-49.54,;46.38,-54.86,;47.15,-53.52,;46.38,-52.19,;44.83,-52.19,;44.05,-50.86,;44.82,-49.52,;46.3,-49.12,;45.9,-47.63,;44.41,-48.04,;44.06,-53.54,;44.84,-54.87,)|
CC(C)(C)Oc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:15.19,wD:11.12,(22.75,-47.83,;23.53,-49.16,;25.07,-49.16,;24.29,-47.82,;22.76,-50.5,;23.54,-51.83,;25.09,-51.83,;25.87,-53.16,;25.09,-54.51,;23.55,-54.51,;22.77,-53.18,;25.87,-55.84,;25.09,-57.17,;26.64,-57.18,;28.18,-57.18,;28.95,-55.85,;28.18,-54.52,;26.64,-54.52,;30.49,-55.85,;31.58,-56.94,;32.67,-55.85,;31.58,-54.76,;34.21,-55.85,;34.98,-54.51,;34.21,-53.18,;36.52,-54.51,;37.29,-55.84,;38.83,-55.84,;39.6,-57.17,;39.6,-54.51,;41.14,-54.51,;41.91,-53.18,;41.14,-51.85,;39.59,-51.85,;38.83,-53.19,;38.81,-50.52,;39.58,-49.19,;37.27,-50.53,;38.03,-49.18,)|
CC(C)Oc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:14.18,wD:10.11,(-.8,-47.04,;-.02,-48.37,;1.52,-48.36,;-.8,-49.71,;-.02,-51.04,;1.54,-51.03,;2.32,-52.37,;1.54,-53.71,;0,-53.72,;-.79,-52.39,;2.32,-55.05,;1.54,-56.38,;3.09,-56.39,;4.63,-56.39,;5.4,-55.05,;4.63,-53.73,;3.09,-53.73,;6.94,-55.05,;8.03,-56.15,;9.12,-55.06,;8.03,-53.97,;10.66,-55.05,;11.43,-53.72,;10.66,-52.39,;12.97,-53.72,;13.74,-55.05,;15.28,-55.05,;16.05,-56.38,;16.05,-53.71,;17.59,-53.72,;18.36,-52.39,;17.59,-51.05,;16.04,-51.06,;15.28,-52.39,;15.26,-49.73,;16.02,-48.39,;13.72,-49.74,;14.48,-48.38,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(OCC(F)(F)F)nc1 |r,wU:4.7,wD:1.0,(45.15,-44.91,;45.93,-43.58,;46.7,-44.92,;48.24,-44.92,;49.01,-43.58,;48.24,-42.26,;46.7,-42.26,;50.55,-43.58,;51.64,-44.68,;52.73,-43.58,;51.64,-42.5,;54.27,-43.58,;55.04,-42.25,;54.27,-40.92,;56.58,-42.25,;57.35,-43.58,;58.89,-43.58,;59.66,-44.91,;59.66,-42.24,;61.2,-42.25,;61.97,-40.92,;61.19,-39.58,;59.65,-39.59,;58.89,-40.92,;58.87,-38.26,;59.63,-36.92,;57.33,-38.27,;58.09,-36.91,;45.15,-42.24,;45.92,-40.9,;45.15,-39.56,;43.6,-39.57,;42.82,-38.24,;43.59,-36.9,;45.13,-36.89,;45.89,-35.55,;45.9,-38.22,;46.67,-36.89,;42.83,-40.92,;43.61,-42.25,)|
CCOc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:13.17,wD:9.10,(22.98,-36.29,;21.44,-36.3,;20.67,-37.64,;21.45,-38.97,;23,-38.96,;23.77,-40.3,;23,-41.64,;21.46,-41.65,;20.68,-40.32,;23.78,-42.98,;23,-44.31,;24.55,-44.32,;26.09,-44.32,;26.86,-42.98,;26.09,-41.66,;24.55,-41.66,;28.4,-42.98,;29.49,-44.08,;30.58,-42.99,;29.49,-41.9,;32.12,-42.98,;32.89,-41.65,;32.12,-40.32,;34.43,-41.65,;35.2,-42.98,;36.74,-42.98,;37.51,-44.31,;37.51,-41.64,;39.05,-41.65,;39.82,-40.32,;39.04,-38.98,;37.5,-38.99,;36.74,-40.32,;36.72,-37.66,;37.48,-36.32,;35.18,-37.67,;35.94,-36.31,)|
COc1ccc(nc1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:12.16,wD:8.9,(-2.57,-36.3,;-1.03,-36.29,;-.25,-37.62,;-1.02,-38.97,;-.23,-40.3,;1.31,-40.3,;2.09,-38.95,;1.31,-37.62,;2.09,-41.63,;1.31,-42.96,;2.86,-42.97,;4.4,-42.97,;5.18,-41.64,;4.4,-40.31,;2.86,-40.31,;6.72,-41.64,;7.81,-42.73,;8.9,-41.64,;7.8,-40.55,;10.44,-41.64,;11.2,-40.3,;10.43,-38.97,;12.74,-40.3,;13.52,-41.63,;15.06,-41.63,;15.83,-42.96,;15.82,-40.3,;17.36,-40.3,;18.13,-38.97,;17.36,-37.64,;15.81,-37.64,;15.05,-38.98,;15.04,-36.31,;15.8,-34.98,;13.5,-36.32,;14.26,-34.97,)|
COc1cccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:12.16,wD:8.9,(46.82,-24.84,;45.28,-24.84,;44.52,-26.18,;42.97,-26.18,;42.2,-27.53,;42.98,-28.86,;44.52,-28.86,;45.29,-27.51,;45.3,-30.19,;44.52,-31.52,;46.07,-31.53,;47.61,-31.53,;48.38,-30.2,;47.61,-28.87,;46.07,-28.87,;49.92,-30.19,;51.01,-31.29,;52.1,-30.2,;51.01,-29.11,;53.64,-30.2,;54.41,-28.86,;53.64,-27.53,;55.95,-28.86,;56.72,-30.19,;58.26,-30.19,;59.03,-31.52,;59.03,-28.86,;60.57,-28.86,;61.34,-27.53,;60.57,-26.2,;59.02,-26.2,;58.26,-27.54,;58.24,-24.87,;59,-23.54,;56.7,-24.88,;57.46,-23.53,)|
COc1ncc(cc1C)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:13.17,wD:9.10,(22.23,-23.58,;21.47,-24.91,;22.24,-26.24,;21.47,-27.59,;22.25,-28.93,;23.79,-28.92,;24.57,-27.58,;23.79,-26.24,;24.56,-24.9,;24.57,-30.26,;23.79,-31.59,;25.34,-31.59,;26.88,-31.59,;27.65,-30.26,;26.88,-28.93,;25.34,-28.93,;29.19,-30.26,;30.29,-31.35,;31.37,-30.26,;30.28,-29.17,;32.91,-30.26,;33.68,-28.93,;32.91,-27.59,;35.22,-28.92,;35.99,-30.26,;37.53,-30.25,;38.3,-31.59,;38.3,-28.92,;39.84,-28.93,;40.61,-27.59,;39.84,-26.26,;38.29,-26.26,;37.53,-27.6,;37.51,-24.94,;38.28,-23.6,;35.97,-24.94,;36.73,-23.59,)|
CN(C)c1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:13.17,wD:9.10,(.34,-22.68,;-.44,-24.02,;-1.98,-24.02,;.35,-25.35,;1.9,-25.34,;2.67,-26.68,;1.9,-28.02,;.36,-28.03,;-.43,-26.7,;2.68,-29.36,;1.9,-30.69,;3.45,-30.7,;4.99,-30.7,;5.76,-29.36,;4.99,-28.04,;3.45,-28.04,;7.3,-29.36,;8.39,-30.46,;9.48,-29.37,;8.39,-28.28,;11.02,-29.36,;11.79,-28.03,;11.01,-26.7,;13.33,-28.03,;14.1,-29.36,;15.64,-29.36,;16.41,-30.69,;16.41,-28.02,;17.95,-28.03,;18.72,-26.7,;17.94,-25.36,;16.4,-25.37,;15.63,-26.7,;15.62,-24.04,;16.38,-22.7,;14.08,-24.05,;14.84,-22.69,)|
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:12.16,wD:8.9,(43.34,-13.79,;44.88,-13.78,;45.66,-15.11,;47.21,-15.11,;47.99,-16.45,;47.21,-17.79,;45.67,-17.8,;44.89,-16.46,;47.99,-19.13,;47.21,-20.46,;48.76,-20.46,;50.3,-20.46,;51.07,-19.13,;50.3,-17.8,;48.76,-17.8,;52.61,-19.13,;53.7,-20.22,;54.79,-19.13,;53.7,-18.04,;56.33,-19.13,;57.1,-17.8,;56.33,-16.46,;58.64,-17.79,;59.41,-19.13,;60.95,-19.12,;61.72,-20.46,;61.72,-17.79,;63.26,-17.8,;64.03,-16.46,;63.26,-15.13,;61.71,-15.13,;60.95,-16.47,;60.93,-13.81,;61.7,-12.47,;59.39,-13.81,;60.15,-12.46,)|
Cc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:7.8,(20.53,-13.7,;21.31,-15.04,;22.86,-15.03,;23.63,-16.37,;22.86,-17.71,;21.32,-17.72,;20.54,-16.39,;23.64,-19.05,;22.86,-20.38,;24.41,-20.39,;25.95,-20.39,;26.72,-19.05,;25.95,-17.73,;24.41,-17.73,;28.26,-19.05,;29.35,-20.14,;30.44,-19.05,;29.35,-17.97,;31.98,-19.05,;32.75,-17.72,;31.98,-16.38,;34.29,-17.72,;35.06,-19.05,;36.6,-19.05,;37.37,-20.38,;37.37,-17.71,;38.91,-17.72,;39.68,-16.38,;38.9,-15.05,;37.36,-15.06,;36.6,-16.39,;36.58,-13.73,;37.34,-12.39,;35.04,-13.73,;35.8,-12.38,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(nc1)C#N |r,wU:4.7,wD:1.0,(-.15,-19.75,;.63,-18.42,;1.4,-19.76,;2.94,-19.76,;3.71,-18.42,;2.94,-17.09,;1.4,-17.09,;5.25,-18.42,;6.35,-19.51,;7.43,-18.42,;6.34,-17.34,;8.97,-18.42,;9.74,-17.09,;8.97,-15.75,;11.28,-17.09,;12.05,-18.42,;13.59,-18.42,;14.36,-19.75,;14.36,-17.08,;15.9,-17.09,;16.67,-15.75,;15.9,-14.42,;14.35,-14.43,;13.59,-15.76,;13.57,-13.1,;14.34,-11.76,;12.03,-13.1,;12.79,-11.75,;-.15,-17.08,;.63,-15.74,;-.16,-14.4,;-1.71,-14.4,;-2.48,-15.76,;-1.69,-17.09,;-2.49,-13.07,;-3.25,-11.74,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)nc1 |r,wU:4.7,wD:1.0,(45.73,-8.27,;46.51,-6.94,;47.28,-8.28,;48.82,-8.28,;49.59,-6.94,;48.82,-5.62,;47.28,-5.62,;51.13,-6.94,;52.23,-8.03,;53.31,-6.94,;52.22,-5.86,;54.85,-6.94,;55.62,-5.61,;54.85,-4.27,;57.16,-5.61,;57.93,-6.94,;59.47,-6.94,;60.25,-8.27,;60.24,-5.6,;61.78,-5.61,;62.55,-4.27,;61.78,-2.94,;60.23,-2.95,;59.47,-4.28,;59.45,-1.62,;60.22,-.28,;57.91,-1.62,;58.67,-.27,;45.73,-5.6,;46.51,-4.26,;45.73,-2.92,;44.18,-2.93,;43.41,-1.6,;43.41,-4.28,;44.19,-5.61,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1 |r,wU:4.7,wD:1.0,(24.06,-8.68,;24.84,-7.35,;25.61,-8.69,;27.15,-8.69,;27.93,-7.35,;27.15,-6.03,;25.61,-6.03,;29.47,-7.35,;30.56,-8.45,;31.64,-7.36,;30.55,-6.27,;33.18,-7.35,;33.95,-6.02,;33.18,-4.69,;35.49,-6.02,;36.26,-7.35,;37.8,-7.35,;38.58,-8.68,;38.57,-6.01,;40.11,-6.02,;40.88,-4.69,;40.11,-3.35,;38.56,-3.36,;37.8,-4.69,;37.79,-2.03,;38.55,-.69,;36.25,-2.04,;37.01,-.68,;24.06,-6.01,;24.84,-4.67,;24.06,-3.33,;22.51,-3.34,;21.74,-4.69,;22.53,-6.02,)|
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O |r|
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3scnc3cn2)c2ccccn2c1=O |r|
Cc1ccc(nc1)N1CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)n3ccccc23)CC1 |r|
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccc2)c2ccccn2c1=O |r|
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3ccccc3cn2)c2ccccn2c1=O |r|
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C#N)c2ccccn2c1=O |r|
Cc1nc2ccccc2n1[C@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.13.14|
CN(C)CCCCc1ccc(cc1)C1(C)COC1
CN(C)CCCCc1ccc(cc1)C(C)(C)C
C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1 |r,wU:3.5,1.0,(12.44,-17.63,;13.93,-17.23,;14.7,-15.89,;16.03,-16.66,;15.26,-18,;17.52,-16.26,;18.61,-17.35,;20.1,-16.95,;20.5,-15.47,;21.98,-15.07,;23.07,-16.16,;22.83,-17.68,;24.2,-18.38,;25.29,-17.29,;24.59,-15.92,;19.41,-14.38,;17.92,-14.78,;11.35,-16.54,;11.75,-15.05,;10.66,-13.96,;9.18,-14.36,;8.78,-15.85,;9.87,-16.93,)|
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCOCC2)no1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ncon4)CC3)c2[nH]1
Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C)no1
CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C)no1
CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C2CC2)no1
CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r|
CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C#C |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C1CC1 |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1Cl |r|
COC(=O)c1cnc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)cc1N(C)C |r|
CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1C(=O)OC |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(=O)OC |r|
C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N
CSc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r|
CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(cc2n1)C(=O)Nc1cnc(C)cn1
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2cn[nH]c2C(F)(F)F)CC1 |r|
O[C@H](CNC(=O)c1cn[nH]c1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl |r|
O[C@H](CNC(=O)c1cn[nH]c1C1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2c(F)cccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CC1(O)CN(C1)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CN(C)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl |r|
NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
OCCNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccc(F)cc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(cc23)S(C)(=O)=O)CC1 |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1 |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(ccc34)S(C)(=O)=O)CC2)c1Cl |r|
CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CC(=O)NC1CC2CCC(C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8|
CC(=O)N1CC2CC1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:10:9:6:4.3,1:3:8.9:6|
CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8,THB:12:11:4.5.10:7.8|
CC(=O)N1CC2CC1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1 |THB:1:3:8.9:6,10:9:6:4.3|
CC(=O)N1CC2CN(CCc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
NC(=O)C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
C(Cc1ccc(Oc2nc3ncccc3s2)cc1)N1CCCCC1
CC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8|
CC(=O)N1CC2CC1CN2CCOc1ccc(Oc2nc3ncccc3s2)cc1 |THB:10:9:6:4.3,1:3:8.9:6|
CC(=O)N1CC2CN(CCOc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1
NC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1
C(CN1CCCCC1)Oc1ccc(Oc2nc3ncccc3s2)cc1
Fc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
Clc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
Cc1ccnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc12
C(N1CCCCC1)c1ccc(Oc2nc3ncccc3s2)cc1
NC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
O[C@H](CNC(=O)c1n[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
COc1cc(ccc1N)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12 |r|
O[C@H](CNC(=O)c1c[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1cnnc2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1OC)C(=O)Nc1ccc(C)cn1 |r|
COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1 |r|
COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1 |r|
CCOC1=CS(=O)(=O)c2cc3c(Nc4ccc5scnc5c4)ncnc3cc12 |t:3|
COCCCOc1cc2OC[C@H](n3cc(C(O)=O)c(=O)cc3-c2cc1OC)C(C)(C)C |r|
OC(=O)CCc1cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)cc2F)c(F)c1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
CCc1cc2C3Cc4ccccc4CN3CCc2s1
C(c1cc2C3Cc4ccccc4CN3CCc2s1)c1ccccc1
COc1nc2ccc(CO)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(C)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(CN(C)C)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12)C(O)=O
COc1nc2ccccc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(Cl)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12)C#CC
COc1nc2ccc(\C=N\O)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(CN)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(CC(C)=O)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
COc1nc2ccc(cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12)C(=O)N(C)C
CO\N=C\c1ccc2nc(OC)c(cc2c1)[C@@H](c1ccccc1)[C@](O)(CCN(C)C)c1cccc2ccccc12 |r|
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)CN5CCCC5=O)c4c3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|
COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)CN5CCOCC5)c4c3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cccn5)c4c3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)Cn5cncn5)c4c3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1ccc2\C(=C(\Nc3ccc4CCN(C(=O)CN5CC(C)OC(C)C5)c4c3)c3ccccc3)C(=O)Nc2c1
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)F |r,t:22|
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,t:2|
[#6]-[#8]-c1cnc(cn1)-[#6](=O)-[#7]-c1ccc(F)c(c1)[C@@]1([#6])[#7]=[#6](-[#7])-[#6]-[#8]\[#6]1=[#6](\F)F |r,t:22|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F |r,t:22|
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F |r,t:22|
Fc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1 |r|
CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r|
CN(C)CCC(=O)N[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r|
CN(C)CCC(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(F)c(F)cc2[nH]1 |r|
CN(C)CCC(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r|
CN(C)CCNC(=O)[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r|
CN(C)CCC(=O)N[C@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r|
COCCNCCC(=O)N[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2n1C |r|
CN(C)CCC(=O)N[C@@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2ccccc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2ccccc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(F)c12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2cccc(F)c12 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(OC)cc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12 |r|
Fc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;1.82,-3.52,;1.31,-2.03,;-.18,-1.72,;-1.21,-2.85,;-.74,-4.34,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.8,;4.8,3.98,;3.47,3.62,;2.23,4.24,;1.72,5.52,;3.11,6.13,;4.49,5.47,;-2.13,1.77,;-3.47,2.54,;-4.8,1.77,;-4.8,.23,;-3.47,-.54,;-2.13,.23,)|
Cl.FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(3.57,-1.5,;.59,-6.29,;-.5,-5.2,;-1.99,-5.6,;-.9,-6.69,;-.1,-3.71,;1.25,-3.18,;1.25,-1.61,;-.24,-1.21,;-1.06,-2.5,;-.64,.28,;.28,1.56,;-.64,2.79,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.36,;4.8,4.54,;3.46,4.18,;2.23,4.79,;1.72,6.08,;3.1,6.69,;4.49,6.02,;-2.13,2.33,;-3.46,3.1,;-4.8,2.33,;-4.8,.79,;-3.46,.02,;-2.13,.79,)|
Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4
Cc1c(cc(cc1NS(=O)(=O)c2ccc(cc2)F)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4
C[C@H]1CN(Cc2cc(F)cc(NS(=O)(=O)c3ccc(F)cc3)c2C)CCN1C(=O)CC1CC1 |r|
[H][C@]12CN(CCN1C(=O)C(C)C)Cc1cccc(NS(=O)(=O)CCCCC2)c1C |r|
[H][C@]12CN(CCN1C(=O)C(C)C)Cc1cc(F)cc(NS(=O)(=O)CCCCC2)c1C |r|
[H][C@]12CN(CCN1C(=O)C(C)C)Cc1cc(Cl)cc(NS(=O)(=O)CCCCC2)c1C |r|
[H][C@]12CN(CCN1C(=O)C(C)C)Cc1cc(cc(NS(=O)(=O)CCCCC2)c1C)C#N |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2nc(Sc3ccnc(N)c3Cl)cnc2[nH]1 |r|
CNc1nccc(Sc2cnc3[nH]c(nc3n2)N2CCC3(Cc4ccccc4[C@H]3N)CC2)c1Cl |r|
N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2nc(Sc3ccncc3Cl)cnc2[nH]1 |r|
C(Cc1ccccc1)N1[C@H]2CC[C@@H]1CC(C2)c1c([nH]c2ccccc12)-c1ccccc1 |THB:0:8:14.15.13:11.10|
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 |r,wU:5.12,9.11,TLB:14:13:6.5:9.8,(4.69,-2.6,;3.35,-1.83,;2.02,-2.61,;.69,-1.83,;-.65,-2.59,;-1.98,-1.82,;-3.3,-2.59,;-4.63,-1.82,;-.65,-1.05,;-.64,.49,;.69,-.29,;-1.97,-.28,;-3.32,.49,;-4.63,-.28,;-5.97,.49,;3.35,-.29,;2.46,.96,;3.37,2.19,;4.83,1.71,;6.16,2.47,;7.49,1.7,;7.49,.15,;6.15,-.61,;4.82,.16,)|
Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
CC(C)(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
OC(c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1)(C(F)(F)F)C(F)(F)F
OC(c1ncc(s1)[C@@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
OC(c1ncc(s1)[C@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
OC(c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
CC=C1N(C)C(C)CC1(c1ccccc1)c1ccccc1
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8
CCN(CC)CCNC(=O)c1ccc(N)cc1
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
CCOC(=O)C1(CCN(C)CC1)c1ccccc1
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)C1NOc2cc(F)ccc12
CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccccn23)[C@H](C1)c1cccc(F)c1
O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)\C=C\c1cc(Cl)cc(Cl)c1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(C)on1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)CCc1cc(Cl)cc(Cl)c1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OC(C)c1cc(Cl)cc(Cl)c1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1ccc(C)cn1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)C1CC1c1cc(Cl)cc(Cl)c1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)NCc1cc(Cl)cc(Cl)c1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(OC(F)(F)F)cc(c1)C#N |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCC1CCCN(C1)C(=O)OC(C)(C)C |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)N1CCc2[nH]nnc2C1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)N1CCc2c(O)noc2C1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)NCCCc1cnn[nH]1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(F)(F)F)CCc2c1
COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccncc4)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C(F)(F)F)n3C)CCc2c1
Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1 |wU:15.16,wD:18.20,(6.09,3.05,;6.7,1.64,;8.2,1.31,;8.36,-.19,;6.94,-.83,;5.92,.32,;9.69,-.96,;9.69,-2.51,;11.03,-3.28,;12.36,-2.51,;12.36,-.96,;11.02,-.19,;13.69,-.18,;13.68,1.36,;15.03,-.95,;16.36,-.17,;16.34,1.36,;17.68,2.14,;19.02,1.37,;20.35,2.14,;21.69,1.37,;23.02,2.14,;22.9,3.66,;24.03,4.72,;25.54,4.5,;26.3,5.83,;27.84,5.85,;28.63,4.51,;27.86,3.17,;26.32,3.16,;25.76,1.73,;24.29,1.27,;30.17,4.52,;31.7,4.53,;30.16,6.06,;30.18,2.98,;19.02,-.17,;17.69,-.94,)|
Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1
Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2)n(C)n1
CC1CCC(CC1)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C |(16.41,-46.4,;15.16,-45.51,;13.75,-46.15,;12.5,-45.26,;12.65,-43.73,;14.04,-43.08,;15.3,-43.97,;11.39,-42.84,;11.37,-41.28,;9.91,-40.84,;9.02,-42.09,;7.48,-42.1,;6.7,-40.78,;5.16,-40.79,;4.38,-39.47,;2.84,-39.48,;2.16,-38.09,;.64,-37.76,;-.57,-38.74,;-1.9,-37.98,;-3.23,-38.75,;-3.23,-40.29,;-1.9,-41.06,;-.56,-40.29,;.67,-41.25,;2.18,-40.89,;-4.57,-41.06,;-5.96,-40.44,;-6.99,-41.58,;-8.51,-41.41,;-6.24,-42.93,;-4.73,-42.61,;9.94,-43.34,;9.48,-44.81,)|
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(C)(C)C)CCc2c1
Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1
COc1ccccc1-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(F)c4)n3C)CCc2c1
Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(C)cc4)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4Cl)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccn4)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C#N)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)cc4)n3C)CCc2c1
Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cc5ccccc5[nH]4)n3C)CCc2c1
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3c2)n(C)n1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)c(Cl)c4)n3C)CCc2c1
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2ccc(cc2CC1)-c1cc(C)nn1C |w:1.0|
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3c2)n(C)n1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C4CCOCC4)n3C)CCc2c1
Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5[nH]ccc5c4)n3C)CCc2c1
Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cccn4C)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(Cl)c4)n3C)CCc2c1
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5nc(C)c(C)nc5c4)n3C)CCc2c1
Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5cnc(C)cn5)n4C)CCc3c2)n(C)n1
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3c2)n(C)n1
COc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C4CCCC4)n3C)CCc2c1
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2)n(C)n1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(C)(C)C)n1C
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2s1
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2s1
Cc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2s1
CC(C)N1Cc2cc3CCN(CCc3cc2C1=O)C(C)CCSc1nnc(-c2cccc3nc(C)ccc23)n1C |w:18.21|
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3CN(C)C(=O)c3cc2CC1 |w:1.0|
CC(C)N1Cc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6cnc(C)cc56)n4C)CCc3c2)n(C)n1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4NC(=O)COc4cc3CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4NCCOc4cc3CC2)n1C
CC(=O)N1CCOc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
CN1C(=O)COc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc12
CN1C(=O)COc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4NC(=O)COc4cc3CC2)n1C
Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12
CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Cc1cc(-c2nc3cc4CCN(CCCSc5nnc(-c6cccc7nc(C)ccc67)n5C)CCc4cc3o2)n(C)n1
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)C(F)(F)F)n1C
CN(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C
COCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(CC(F)(F)F)oc4cc3CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)F)n1C
CCc1nc2cc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccnc5)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(C5CCOCC5)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccnc5)n4C)CCc3cc2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(C)C)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C2CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C2CC2)n1C
CC(C)c1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
CC(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
CCCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4ncoc4cc3CC2)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4ncoc4cc3CC2)n1C
Cc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(Br)c2CC1)C(F)(F)F |w:1.0|
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(C)c2CC1)C(F)(F)F |w:1.0|
CCc1nc2cc3CCN(CCc3c(C)c2o1)C(C)CCSc1nnc(-c2cccc3nc(C)ccc23)n1C |w:17.20|
CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(F)(F)F)n1C
Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
CCc1nc2cc3CCN(CCc3c(Br)c2o1)C(C)CCSc1nnc(-c2cccc3nc(C)ccc23)n1C |w:17.20|
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(C)oc3c(C)c2CC1 |w:1.0|
Cc1ccc2c(cccc2n1)-c1nnc(SCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCCN2CCc3cc4nc(oc4c(C)c3CC2)C(F)(F)F)n1C
CCc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
CCc1nn(C)c2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
CN1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4onc(C)c4cc3CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4OCCN(c4cc3CC2)S(C)(=O)=O)n1C
Cc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Cc1cc(-c2nc3cc4CCN(CCCSc5nnc(-c6ocnc6C)n5C)CCc4cc3o2)n(C)n1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)N2CCCCC2)n1C
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(C)oc3c(Br)c2CC1 |w:1.0|
Cc1ccc2c(cccc2n1)-c1nnc(SCCN2CCc3cc4nc(oc4c(C)c3CC2)C(F)(F)F)n1C
Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4c(C)c3CC2)C(C)(C)C)n1C
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2s1
CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
OCc1ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccccc3)C(O)=O)CC2)cc1Cl
OCc1ccc(OC2CCN(CC3CCN(CCC#N)CC3)CC2)cc1Cl
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccc1C(O)=O
Cc1ccc(C(O)=O)c(c1)C(=O)N1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1
OCc1ccc(OC2CCN(CC3CCN(CC3)C(=O)c3ccccc3C(O)=O)CC2)cc1Cl
CS(=O)(=O)c1ccc(CC(N2CCC(CN3CCC(CC3)Oc3ccc(CO)c(Cl)c3)CC2)C(O)=O)cc1
OCc1ccc(OC2CCN(CC3CCN(CC(O)=O)CC3)CC2)cc1Cl
Cc1ncc(cc1C(O)=O)N1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1
OCc1ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccccn3)C(O)=O)CC2)cc1Cl
COC(=O)CCCN1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1
OCc1ccc(OC2CCN(CC3CCN(CC3)c3ccccc3C(O)=O)CC2)cc1Cl
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccn1
OCc1ccc(OC2CCN(CC3CCN(CC3)c3cccc(c3)C(O)=O)CC2)cc1Cl
OCc1ccc(OC2CCN(CC3CCN(CC3)c3cccc(n3)C(O)=O)CC2)cc1Cl
CCC1C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(CO)c(Cl)c3)CC2)C(=O)O1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccnc(N)c1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccc1-c1nnn[nH]1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc(Cl)c(Cl)cc1C(O)=O
OCc1ccc(OC2CCN(CC3CCNCC3)CC2)cc1Cl
OC1CN2C3CC(CC2CC1C3)OC(=O)c1c[nH]c2ccccc12 |THB:5:4:1.2:8.9,7:8:1.2:11.4,0:1:11.4:8.9|
Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1 |c:12,t:5|
O[C@H]1CNCCC[C@@H]1n1c2ccc(cc2c2cc(ccc12)C(F)(F)F)C(F)(F)F |r|
[H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CO)C(C)(C)C |r|
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 |r|
CCCCNc1nccc2[nH]c3ccccc3c12
CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3NC(=O)COc3c2)CC1
CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)ccc12
CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC(F)F)C(=O)COc23)CC1
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCCc2cccc3NC(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
CCN(CC)CC(=O)Nc1c(cccc1C)C
COC(=O)C1=CC[C@@H]2CC[C@H]1N2C |r,t:4,TLB:12:11:9.8:4.5.6,THB:2:4:9.8:11|
Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8|
CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
O=C1[C@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r|
O=C1[C@@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r|
Clc1cc2CN3CC[C@@H](NCc4cncn4Cc4ccc(C#N)c(Oc(c1)c2)c4)C3=O |r|
O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7|
Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O |r,w:7.7|
CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2 |r,w:1.0|
O=C1[C@H]2CCN1c1ccccc1-c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r|
O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2 |r|
O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13 |r|
O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r|
O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r|
CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@@H]1C5=O)c4c3)c2 |r|
O=C1[C@@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
O=C1[C@@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
O=C1[C@H](CCN1c1ccncc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N |r|
Clc1cccc(c1)C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
Cc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
Nc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
COc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
O=C(N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O)c1ccc[nH]c1=S |r|
CCSc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
Brc1cncc(c1)C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1cccnc1 |r|
O=C1[C@H](CCN1Cc1ccccc1)N(CCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N |r|
O=C1[C@H](CCN1Cc1ccccc1)N(CCN1CCOCC1)Cc1cncn1Cc1ccc(cc1)C#N |r|
O=C1[C@H](CCN1Cc1ccccc1)N(CCN1CCNCC1)Cc1cncn1Cc1ccc(cc1)C#N |r|
C1CC2CC(CC1N2)c1c([nH]c2ccccc12)-c1ccccc1 |TLB:8:4:7:0.1|
CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Brc1ccc2Oc3cc(Cn4cncc4CN[C@@H]4CCN(Cc1c2)C4=O)ccc3C#N |r|
O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13 |r|
CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2 |r|
O=C1[C@@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4CC[C@@H](N5CC[C@@H]1C5=O)c4c3)c2 |r|
Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1 |r|
O=C(N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O)c1ccc[nH]c1=O |r|
CSc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O |r|
NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O |r|
O=C1[C@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
COc1cccc(c1)N1CCN(CCN2CCN(CC2)C(C)C)C1=O
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
CN1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
FC(F)(F)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
CC(C)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Clc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Fc1ccc(cc1C#N)N1CCN(CCN2Cc3ccccc3C2)C1=O
Clc1ccc(cc1Cl)N1CCN(CCN2Cc3ccccc3C2)C1=O
FC(F)(F)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Fc1ccc(cc1Cl)N1CCN(CCN2Cc3ccccc3C2)C1=O
CC(C)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(c1)C#N
Fc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Fc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O
CC(C)(C)c1ccc(cc1)N1CCN(CCN2Cc3ccccc3C2)C1=O
O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1
Cc1nc2cc(ccc2s1)N1CCN(CCN2Cc3ccccc3C2)C1=O
O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1
Clc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1
FC(F)(F)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1
Clc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl
Clc1ccc(Cl)c(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1
Clc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1
Clc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O
CC(N1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(c1)C(F)(F)F
CC1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1
CC1CCCCN1CCN1CCN(C1=O)c1cccc(Cl)c1
CC1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(I)c2)CC1
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
FC(F)(F)Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Fc1ccc(cc1C#N)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
COc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
Fc1c(Cl)cccc1N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1
Cc1ccc(s1)N1CCN(CCN2Cc3ccccc3C2)C1=O
O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12
O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1
CC(=O)n1ccc2cc(ccc12)N1CCN(CCN2Cc3ccccc3C2)C1=O
Cc1ccc(cn1)N1CCN(CCN2Cc3ccccc3C2)C1=O
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1
CC(C)N1CCN(CCN2CCN(C2=O)c2ccc(F)c(c2)C#N)CC1
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2F)CC1
COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Cc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3ccc2o1
CCN(CC)CCN1CCN(C1=O)c1cccc(Cl)c1
C[C@@]12C[C@@H](CC(C)(C)C1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r|
Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@@H]2C3)C1=O |r,TLB:12:13:17.16:19|
COCC1[C@H]2CC[C@@H]1CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r|
C[C@]12C[C@H](CC(C1)c1ccccc1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:14:13:2:5.6.4,7:5:2:29.13|
Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@H](CC3)C2)C1=O |r,wD:15.21,18.19,(12.76,-.71,;12.72,-2.25,;11.37,-2.98,;11.33,-4.53,;12.64,-5.34,;14,-4.6,;14.04,-3.05,;15.44,-5.15,;15.87,-6.63,;17.41,-6.67,;17.92,-5.22,;19.25,-4.44,;20.59,-5.2,;21.92,-4.42,;22.75,-2.96,;24.43,-2.94,;25.71,-3.64,;25.72,-5.11,;24.45,-5.86,;23.16,-5.16,;23.15,-3.69,;22.77,-5.87,;16.7,-4.28,;16.74,-2.74,)|
CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:10:9:1:5.4|
Clc1cccc(c1)N1CCN(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)C1=O |r|
Clc1cccc(c1)N1CCN(CCN2[C@H]3CC[C@@H]2CCC3)C1=O |r,TLB:12:13:19.18.20:16.15|
COc1cccc(c1)C1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1
Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O
Clc1ccc(cc1)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1
COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1
COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC
Clc1cccc(c1)N1CCN(CCN2CCC(CC2)c2nnc(o2)-c2ccccc2)C1=O
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc2ccccc2s1
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc(C)no1
Clc1cccc(c1)N1CCN(CCN2CCCc3sccc3C2)C1=O
CC1(C)[C@@H]2CC[C@]11CCN(CCN3CCN(C3=O)c3cccc(Cl)c3)C1C2 |r,THB:9:25:4.5:1|
CN(CCN1CCN(C1=O)c1cccc(c1)C(F)(F)F)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
CN(CCN1CCN(C1=O)c1ccc(C)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
CN(CCN1CCN(C1=O)c1cccc(C)c1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
CN(CCN1CCN(C1=O)c1ccccc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
COC[C@@H]1CCCN1N1CCN(C1=O)c1cccc(Cl)c1 |r|
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
COc1cccc(c1)N1CCN(CCN(C)C[C@@]23CC[C@@H](CC2)C3(C)C)C1=O |r|
CN(CCN1CCN(C1=O)c1ccc(F)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
[H][C@]12CC[C@@](CN(C)CCN3CCN(C3=O)c3ccc4OCOc4c3)(CC1)C2(C)C |r|
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1
Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1
CC(C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1
CC(C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
CC(=C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
FC(F)C(F)(F)Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1
O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1
O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncn1
COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2cc[n+]([O-])cc2)c1
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc[nH]c1=O
CC1(C)CCc2cc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)ccc2O1
CC1Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncc3)c2O1
O=C(N1CCC2(CCN(Cc3cccc4CCOc34)CC2)CC1)c1ccncc1
CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)c2O1
CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1
CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ncccc3N)c2O1
CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccnc(N)c1
CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1
CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
CC(C)(C)C1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1
CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1
CC1(C)Oc2c(cccc2CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(N)cn2)C1(F)F
COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccncn2)c1
O=C(N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1)c1ccncn1
CC1(C)CCc2cc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncn3)ccc2O1
CC1(C)Oc2c(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)cccc2C=C1 |c:35|
CC1=NC2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCC3=CC2O1 |c:36,t:1,4|
CN(CCN1CCN(C2COOC2)C1=O)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|
CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2)n1C
COc1ccc(cc1)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(F)cc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(F)c2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(F)c(c2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cc(F)cc(c2)C(F)(F)F)n1C
COc1ccc(cc1Cl)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)c(Cl)c2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2)n1C
COc1cccc(c1)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(Cl)c2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cc(ccc2F)C(F)(F)F)n1C
COc1ccc(cc1C(F)(F)F)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2
Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(C)(C)C)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)c(Cl)c2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(C)cc2F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(OC(F)(F)F)c2)n1C
Cc1ccc(cn1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1cnc(cn1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Br)cc2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C#N)n1C
COc1ccc(cc1)C12CC1CN(CCCSc1nnc(-c3cccc4nc(C)ccc34)n1C)C2
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccc1 |r|
Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(c(F)c2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(cc2)C(C)(C)C)n1C |r|
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(C)(C)C)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(Br)cc2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2F)C(F)(F)F)n1C
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cncnc1 |r|
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C
Cc1ccoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(OC(F)(F)F)cc2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(Br)cc2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2C)C(F)(F)F)n1C
Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O
C(C1CCCCN1)N1CCN(C1)c1ccccc1
Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)n1
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1
COc1ccc(cc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)NCc1nc(C)no1
Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(C)cc2)n1
Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2ccno2)n1
Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2cnco2)n1
Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)-c1ccno1)C(=O)NCc1cn(C)nn1
Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NCc1cn(C)nn1
Cc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCc2cccnc2)cc1
Cc1noc(CNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(C)cc2)n1
COc1ccc(c2ccccc12)S(=O)(=O)N1C[C@H](C(=O)N2CCCNCC2)c2ccccc12 |r|
OCCNC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
OC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r|
C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C
O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CN(C)C2 |r|
CCN1C[C@H]2C[C@]2(C1)c1ccc(NS(=O)(=O)c2ccc(cc2)C(C)C)cc1 |r|
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CN(CC=C)C2 |r|
COc1cc(ccc1NS(=O)(=O)c1ccc(cc1)C(C)C)[C@@]12C[C@@H]1CNC2 |r|
FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
CC(C)c1ccc(cc1)S(=O)(=O)Cc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
CN(c1ccc(cc1)[C@@]12C[C@@H]1CNC2)S(=O)(=O)c1ccccc1 |r|
CC(C)c1ccc(CS(=O)(=O)c2ccc(cc2)[C@@]23C[C@@H]2CNC3)cc1 |r|
CCC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(N)=O)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCOCC2)CC1
CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
Cc1cn-2c(COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc-23)n1
Cc1nc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n2c1C
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nc(cn-32)C(F)(F)F)CC1
Cc1nnc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nnnn-32)CC1
CCOC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
CC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
CN(C)C(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C#N)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CCC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CCCC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NCC2CC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCCC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nccn-32)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2cncn-32)CC1
CC(C)NC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCC2)CC1
Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(C2)c2ccccc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3(CC3C2)c2ccccc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3(CC3C2)c2ccc(cc2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3(CC3C2)c2cccc(c2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)n1C
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@@]3(CC23)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN[C@H]2CC[C@@]3(CC23)c2ccc(cc2)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@@]3(CC23)c2ccc(cc2F)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC3C[C@@]3(C2)c2ccc(cc2F)C(F)(F)F)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCCc2ccc(Br)cc32)n1C
COc1ccc2c(CCCC22CCN(CCCSc3nnc(-c4ocnc4C)n3C)C2)c1
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCOc2ccccc32)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4c3cccc4Br)C2)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4ccc(Br)cc34)C2)n1C
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3(CCc4cc(Cl)ccc34)C2)n1C
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(F)ccc34)C2)n1C
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(F)(F)F)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2F)C(F)(F)F)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|
Cc1ncoc1-c1nnc(SCCCNC2CC3CC3(C2)c2ccccc2)n1C
Cc1nc(C)c(o1)-c1nnc(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)n1C
Cn1c(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCCc2cc(Br)ccc32)n1C
COc1cccc2c1CCCC21CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(Br)ccc34)C2)n1C
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3(CCc4ccc(Cl)cc34)C2)n1C
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3(CCc4ccc(F)cc34)C2)n1C
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2cccc(c2)C(F)(F)F)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|
COc1ccc2CCCC3(CCN(CCCSc4nnc(-c5ocnc5C)n4C)C3)c2c1
CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3|
OC(=O)CCNC1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21
OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)CCNC1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(48.29,-13.3,;46.95,-14.06,;46.93,-15.6,;45.59,-16.35,;44.26,-15.57,;44.28,-14.03,;45.61,-13.28,;42.93,-16.32,;41.53,-15.68,;40.48,-16.81,;39.74,-18.16,;38.21,-18.19,;37.41,-16.88,;38.14,-15.53,;39.68,-15.5,;35.87,-16.91,;34.99,-18.18,;33.51,-17.74,;32.19,-18.54,;30.84,-17.8,;30.81,-16.26,;29.46,-15.52,;29.42,-13.98,;28.07,-13.24,;30.74,-13.18,;29.46,-12.44,;32.12,-15.46,;33.47,-16.19,;34.93,-15.67,;41.24,-18.15,;42.75,-17.85,;43.88,-18.89,)|
FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:16.23,wD:13.14,(-11.58,-41.95,;-11.55,-43.49,;-12.86,-44.29,;-12.88,-42.71,;-10.19,-44.22,;-10.15,-45.77,;-8.8,-46.5,;-7.49,-45.7,;-6,-46.14,;-5.12,-44.87,;-6.06,-43.64,;-7.52,-44.15,;-8.88,-43.42,;-3.59,-44.84,;-2.79,-46.16,;-1.26,-46.13,;-.51,-44.78,;.53,-43.64,;1.93,-44.28,;1.75,-45.81,;2.89,-46.86,;.25,-46.11,;3.26,-43.53,;4.59,-44.32,;5.93,-43.57,;5.95,-42.03,;4.61,-41.24,;3.28,-42,;-1.31,-43.46,;-2.86,-43.49,)|
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:17.24,wD:14.15,(-14.1,-12.22,;-12.74,-12.96,;-11.43,-12.16,;-12.7,-11.42,;-12.72,-14.5,;-11.36,-15.24,;-11.32,-16.78,;-9.97,-17.52,;-8.66,-16.71,;-7.17,-17.16,;-6.29,-15.88,;-7.23,-14.65,;-8.69,-15.17,;-10.04,-14.44,;-4.76,-15.85,;-3.96,-17.17,;-2.43,-17.14,;-1.69,-15.79,;-.64,-14.66,;.76,-15.3,;.58,-16.83,;1.71,-17.87,;-.93,-17.13,;2.09,-14.55,;3.41,-15.33,;4.75,-14.58,;4.77,-13.04,;3.44,-12.26,;2.1,-13.01,;-2.48,-14.47,;-4.03,-14.5,)|
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:17.24,wD:14.15,(27.51,-20,;28.86,-20.74,;30.17,-19.93,;28.9,-19.19,;28.9,-22.27,;30.25,-23.01,;30.28,-24.56,;31.63,-25.29,;32.95,-24.49,;34.43,-24.93,;35.31,-23.66,;34.37,-22.43,;32.91,-22.94,;31.56,-22.21,;36.84,-23.63,;37.64,-24.95,;39.18,-24.92,;39.92,-23.57,;40.97,-22.43,;42.36,-23.07,;42.19,-24.6,;43.32,-25.65,;40.68,-24.9,;43.7,-22.32,;45.02,-23.11,;46.36,-22.36,;46.38,-20.81,;45.05,-20.03,;43.71,-20.79,;39.12,-22.25,;37.58,-22.28,)|
FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(4.72,-25.12,;4.71,-26.66,;6.04,-27.44,;6.02,-28.99,;4.68,-29.74,;3.36,-28.95,;3.37,-27.42,;2.02,-29.7,;.63,-29.06,;-.42,-30.2,;-1.16,-31.54,;-2.7,-31.58,;-3.49,-30.26,;-2.76,-28.91,;-1.22,-28.88,;-5.03,-30.29,;-5.91,-31.56,;-7.39,-31.12,;-8.71,-31.92,;-10.06,-31.19,;-10.09,-29.64,;-11.46,-28.9,;-11.48,-27.37,;-12.84,-26.63,;-10.17,-26.56,;-11.44,-25.82,;-8.78,-28.84,;-7.43,-29.57,;-5.97,-29.06,;.34,-31.53,;1.85,-31.23,;2.98,-32.28,)|
Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O |r,wU:9.29,wD:12.16,(8.45,-40.09,;7.11,-40.85,;7.09,-42.39,;5.75,-43.14,;4.42,-42.35,;4.44,-40.82,;5.77,-40.06,;3.09,-43.11,;1.69,-42.46,;.65,-43.6,;-.1,-44.95,;-1.63,-44.98,;-2.43,-43.66,;-1.7,-42.31,;-.15,-42.28,;-3.96,-43.69,;-4.85,-44.97,;-6.33,-44.52,;-7.64,-45.33,;-8.99,-44.59,;-9.03,-43.05,;-7.72,-42.24,;-6.37,-42.98,;-4.9,-42.46,;-10.38,-42.31,;-11.72,-41.54,;1.41,-44.94,;2.91,-44.64,;4.05,-45.68,)|
O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1
Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.92,-28.06,;23.25,-28.84,;24.59,-28.08,;25.92,-28.86,;25.9,-30.4,;24.56,-31.16,;23.24,-30.37,;21.9,-31.12,;20.5,-30.48,;19.46,-31.62,;18.71,-32.97,;17.18,-33,;16.38,-31.68,;17.11,-30.33,;18.66,-30.3,;14.85,-31.71,;13.97,-32.98,;12.48,-32.54,;11.17,-33.34,;9.81,-32.61,;9.78,-31.06,;8.43,-30.32,;8.39,-28.78,;7.04,-28.05,;9.71,-27.98,;8.43,-27.24,;11.09,-30.26,;12.44,-30.99,;13.91,-30.48,;20.22,-32.95,;21.73,-32.65,;22.86,-33.7,)|
O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(25.34,-47.26,;24.21,-46.22,;22.7,-46.52,;21.94,-45.18,;22.99,-44.05,;24.39,-44.69,;25.72,-43.94,;27.05,-44.72,;28.39,-43.97,;28.4,-42.43,;27.07,-41.65,;25.74,-42.4,;21.2,-46.53,;19.67,-46.56,;18.87,-45.25,;19.6,-43.89,;21.15,-43.86,;17.33,-45.27,;16.45,-46.55,;14.97,-46.11,;13.66,-46.91,;12.31,-46.17,;12.27,-44.63,;13.58,-43.83,;14.93,-44.56,;16.39,-44.04,;10.92,-43.89,;9.58,-43.12,)|
O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(44.12,-48.11,;42.99,-47.06,;41.48,-47.37,;40.72,-46.03,;41.77,-44.89,;43.17,-45.54,;44.5,-44.78,;45.83,-45.57,;47.17,-44.82,;47.18,-43.28,;45.85,-42.49,;44.51,-43.25,;39.98,-47.38,;38.45,-47.41,;37.65,-46.09,;38.38,-44.74,;39.92,-44.71,;36.11,-46.12,;35.23,-47.4,;33.75,-46.95,;32.43,-47.76,;31.08,-47.02,;31.05,-45.47,;32.36,-44.67,;33.71,-45.4,;35.17,-44.89,;29.7,-44.74,;28.35,-43.96,)|
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1 |r,wU:17.24,wD:14.15,(-12.77,-33.88,;-11.41,-34.62,;-10.09,-33.81,;-11.37,-33.07,;-11.39,-36.15,;-10.02,-36.89,;-9.99,-38.43,;-8.64,-39.17,;-7.32,-38.37,;-5.84,-38.81,;-4.96,-37.54,;-5.9,-36.31,;-7.36,-36.82,;-8.71,-36.09,;-3.42,-37.51,;-2.63,-38.83,;-1.09,-38.79,;-.35,-37.45,;.7,-36.31,;2.09,-36.95,;1.92,-38.48,;3.05,-39.52,;.41,-38.78,;3.43,-36.2,;4.75,-36.99,;6.09,-36.23,;6.11,-34.69,;4.78,-33.91,;3.44,-34.67,;-1.15,-36.13,;-2.69,-36.16,)|
Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.81,-13.52,;23.13,-14.3,;24.47,-13.55,;25.8,-14.33,;25.78,-15.87,;24.44,-16.62,;23.12,-15.84,;21.78,-16.59,;20.39,-15.95,;19.34,-17.08,;18.6,-18.43,;17.06,-18.46,;16.27,-17.15,;17,-15.79,;18.54,-15.76,;14.73,-17.18,;13.85,-18.45,;12.37,-18.01,;11.05,-18.81,;9.7,-18.07,;9.67,-16.53,;8.32,-15.79,;8.28,-14.25,;6.93,-13.51,;9.59,-13.45,;8.32,-12.71,;10.98,-15.73,;12.33,-16.46,;13.79,-15.94,;20.1,-18.42,;21.61,-18.12,;22.74,-19.16,)|
Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(45.18,-25.24,;45.16,-26.78,;46.5,-27.56,;46.48,-29.1,;45.14,-29.86,;43.82,-29.07,;43.83,-27.54,;42.48,-29.82,;41.08,-29.18,;40.04,-30.32,;39.29,-31.66,;37.76,-31.7,;36.96,-30.38,;37.69,-29.03,;39.24,-29,;35.43,-30.41,;34.55,-31.68,;33.06,-31.24,;31.75,-32.04,;30.4,-31.3,;30.36,-29.76,;29.01,-29.02,;28.98,-27.48,;27.62,-26.75,;30.29,-26.68,;29.02,-25.94,;31.67,-28.96,;33.03,-29.69,;34.49,-29.18,;40.8,-31.65,;42.31,-31.35,;43.44,-32.39,)|
FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:16.23,wD:13.14,(28.53,-36.29,;28.56,-37.83,;27.25,-38.63,;27.22,-37.06,;29.91,-38.57,;29.95,-40.11,;31.3,-40.85,;32.61,-40.05,;34.1,-40.49,;34.98,-39.22,;34.04,-37.99,;32.58,-38.5,;31.22,-37.77,;36.51,-39.19,;37.31,-40.51,;38.84,-40.47,;39.59,-39.12,;40.63,-37.99,;42.03,-38.63,;41.86,-40.16,;42.99,-41.2,;40.35,-40.46,;43.37,-37.88,;44.69,-38.67,;46.03,-37.91,;46.05,-36.37,;44.71,-35.59,;43.38,-36.35,;38.79,-37.81,;37.24,-37.84,)|
Fc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.99,-34.44,;23.31,-35.22,;24.65,-34.46,;25.98,-35.24,;25.97,-36.79,;24.62,-37.54,;23.3,-36.75,;21.97,-37.5,;20.57,-36.86,;19.52,-38,;18.78,-39.35,;17.24,-39.38,;16.45,-38.06,;17.18,-36.71,;18.72,-36.68,;14.91,-38.09,;14.03,-39.36,;12.55,-38.92,;11.23,-39.72,;9.88,-38.99,;9.85,-37.44,;8.5,-36.7,;8.46,-35.17,;7.11,-34.43,;9.77,-34.36,;8.5,-33.62,;11.16,-36.64,;12.51,-37.37,;13.97,-36.86,;20.28,-39.33,;21.79,-39.03,;22.92,-40.08,)|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)c3ccccc3)c2)CC1
Cc1nc(cs1)C(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NS(C)(=O)=O)c2)CC1
CCNC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1
CC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCOC2=O)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)Nc3ccccc3)c2)CC1
Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Nc1nccc2cc(O[C@H]3CCCNC3)ccc12 |r|
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:3.2,1.1,wD:6.9,(3.37,.47,;2.6,-.86,;3.37,-2.2,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,)|
Nc1nccc2cc(CNCCc3ccccc3)ccc12
O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
CC1C2C(OC1=O)C1=C(C)C(=O)C=CC1(C)CC2O |c:8,13|
C[N@@]1CCC[C@H]1c2cccnc2
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
CCC1=C(C)CC(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O |c:2,(17.96,-18.48,;18.73,-19.81,;20.27,-19.81,;21.04,-21.15,;20.41,-22.55,;22.54,-20.83,;22.71,-19.29,;24.04,-18.52,;24.05,-16.98,;25.38,-19.29,;26.71,-18.52,;28.05,-19.29,;29.38,-18.52,;29.38,-16.98,;30.71,-16.21,;32.05,-16.97,;32.05,-18.52,;30.71,-19.29,;33.38,-16.2,;32.28,-15.1,;34.14,-14.86,;34.71,-16.96,;36.04,-16.19,;36.04,-14.65,;37.38,-16.95,;37.39,-18.49,;36.05,-19.26,;36.05,-20.79,;37.39,-21.56,;37.39,-23.1,;38.72,-20.79,;38.72,-19.24,;21.3,-18.67,;20.98,-17.16,)|
CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:25.24:4.3|
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r|
COC(=O)C1=CCC2CCC1N2C |t:4,THB:2:4:11:9.8|
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
OCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc(c[nH]1)-c1cccc(c1)C(F)(F)F |r,wU:9.12,wD:6.5,(36.76,-5.11,;35.21,-5.1,;34.44,-6.44,;32.9,-6.44,;32.12,-7.78,;32.89,-9.1,;30.59,-7.77,;29.81,-6.44,;28.27,-6.44,;27.5,-7.77,;28.27,-9.1,;29.81,-9.1,;25.96,-7.78,;25,-6.58,;23.56,-7.12,;23.63,-8.63,;25.11,-9.05,;22.32,-6.22,;22.49,-4.69,;21.24,-3.78,;19.83,-4.41,;19.67,-5.94,;20.92,-6.85,;18.25,-6.56,;16.82,-7.18,;17.63,-5.14,;18.87,-7.98,)|
C1CC2CC(CC1N2c1ccccc1)c1c([nH]c2ccccc12)-c1ccccc1
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(O)=O |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
CC(C)(O)C(Cl)(Cl)Cl
CCNCCc1cccc(c1)C(F)(F)F
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
Cc1ccc(cc1)C12CC1CNC2
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
CC(C)CN1CCC(CNC(=O)c2cc(Cl)c(N)n3cc(C)nc23)CC1
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
CO\N=C1/CN(CC11CNC1)c1nc2N(CC(C(O)=O)C(=O)c2cc1F)C1CC1
CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C |r,TLB:11:10:7.6:12,2:4:7.6:12|
[#6]C([#6])([#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(F)cc2-[#6]-[#8]-c2ccccc-12)[#6](-[#8])=O
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
COC(=O)C1C(C(C(=O)OC(C)C)=C(C)N=C1C)c1cccc2NONc12 |c:15,t:12|
CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O |r,c:13,t:11|
CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C
CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12
Clc1ccc(cc1)C(=O)NCCN1CCOCC1
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
COc1cc2nc(nc(C)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1
CCCC1NC(C)C2N1N=C(NC2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 |c:10|
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Cn1cnc2c1C(=O)N(C(=O)N2C)C
Fc1ccc(cc1)C(=O)N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
CC(=O)NC(=O)C1CCC(CC1)C1N=CC(=N1)c1cccc(Br)c1 |c:14,16,(50.59,-18.8,;49.82,-17.47,;50.57,-16.13,;48.28,-17.48,;47.51,-18.82,;48.3,-20.15,;45.97,-18.83,;45.2,-17.5,;43.67,-17.51,;42.9,-18.84,;43.68,-20.17,;45.22,-20.18,;41.36,-18.85,;40.46,-20.1,;39,-19.62,;38.99,-18.08,;40.46,-17.6,;37.75,-17.18,;37.91,-15.65,;36.66,-14.75,;35.25,-15.38,;35.1,-16.92,;33.7,-17.55,;36.35,-17.81,)|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
C1CN(CCC1c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
CCCCCCCCC(=O)NCc1ccc(CC(O)CO)c(OC)c1
O=C(OC1C[C@@H]2CC3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12 |wD:9.11,5.12,TLB:14:13:5.6:9.8,12:11:3.4.10:7.6.8,(-1.14,-4.4,;-1.14,-2.86,;.19,-2.08,;1.54,-2.85,;1.54,-4.4,;2.86,-5.15,;2.86,-3.61,;6.86,-2.86,;5.53,-2.08,;4.19,-2.85,;2.86,-2.07,;4.19,-4.4,;5.53,-5.17,;6.86,-4.4,;8.19,-5.18,;-2.47,-2.09,;-2.63,-.55,;-4.15,-.23,;-4.9,-1.57,;-6.41,-1.88,;-6.89,-3.35,;-5.85,-4.5,;-4.35,-4.17,;-3.87,-2.71,)|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)\C(=N\OCOCCOC)C(C)C(O)C1(C)O
CCN=C(N1CCCc2cc(ccc12)C1=NN=C(O)SC1C)c1ccc(OC)c(OC)c1 |w:2.1,t:16,18|
O=C1CCC(=NN1)c1ccc(Nc2ccncc2)cc1 |c:4|
COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
CCOP(=O)(Sc1ccccc1)Sc1ccccc1
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
CN1CCCCC1C(=O)Nc1c(C)cccc1C
CN(C)CCOC(c1ccccc1)c1ccccc1C
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(C2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
CCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:12:11:21:7.8,3:5:21:7.8|
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
COc1ccc(CC(=O)Nc2cc3[C@H](NC4CC4)[C@@H](O)C(C)(C)Oc3cc2[N+]([O-])=O)cc1 |r|
CC(C)Oc1cc(ccc1OC(F)F)C(c1ccc(nc1)C(C)(C)O)c1ccc(=O)[nH]c1
COc1ccc(cc1OC)C1CCN(CCN2CCOc3ccccc23)CC1
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
CN(CC(N)=O)Cc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N[C@H]2CCOC2)ccc1F |r|
CCc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1
CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(CC)cccc12
CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(F)cccc12
Clc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1
CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
COCCN(C)Cc1csc(n1)-c1cn(CC2CCCCC2)c2c(Cl)cccc12
CN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
CCN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
CC(C)N(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
COC1CCN(Cc2csc(n2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Clc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCOCC2)cs1
OCCN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
CCc1sc(nc1CN(C)CCO)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
CCc1sc(nc1CN(CCO)C(C)C)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
CC(C)N(CCO)Cc1nc(sc1Cl)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
COCCN(C)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Fc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1
OC1CCN(Cc2csc(n2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
CCN(CCO)Cc1nc(sc1CC)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r|
O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CC1)-c1ccc(cc1)C(F)(F)F |r|
O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CCC1)-c1ccc(cc1)C(F)(F)F |r|
Clc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r|
Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r|
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,THB:18:17:11.10.16:13.14|
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |r,THB:18:17:11.10.16:13.14|
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C(O)=O)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C1(CCC1)C(O)=O)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1C(O)=O)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)C(O)=O)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)c1nnn[nH]1)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C(=O)NS(C)(=O)=O)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)-c1nnn[nH]1)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)C(=O)NO)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc2c(CC(=O)NS2(=O)=O)c1)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)-c1nc(=S)o[nH]1)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)CO)c1ccccc1
COC(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)C(N)=O)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)S(N)(=O)=O)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
CNS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(N)(=O)=O)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(ccc1F)S(N)(=O)=O)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(Cl)cc1F)S(N)(=O)=O)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1c(Cl)ccc(c1Cl)S(N)(=O)=O)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NC1CCCC1)c1cccc(F)c1
CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NC1CC1)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NCC(F)(F)F)c1cccc(F)c1
CCCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F
CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(NS(C)(=O)=O)c(F)cc1Cl)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(NS(C)(=O)=O)c(F)cc1F)c1cccc(F)c1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1c(F)ccc(NS(C)(=O)=O)c1F)c1cccc(F)c1
CC(C)S(=O)(=O)Nc1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(F)cc1F
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(ccc1Cl)S(N)(=O)=O)c1cccc(F)c1
CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F
CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(-4.41,5.18,;-5.31,3.94,;-6.85,3.93,;-7.32,2.47,;-6.08,1.56,;-4.83,2.47,;-3.36,2,;-2.04,2.8,;-2.07,4.34,;-.7,2.05,;.62,2.84,;1.97,2.1,;1.99,.56,;.66,-.23,;3.33,-.19,;4.65,.61,;4.62,2.15,;3.27,2.89,;3.24,4.43,;-6.07,.02,;-7.4,-.75,;-8.73,.02,;-7.4,-2.3,;-6.07,-3.07,;-4.73,-2.3,;-4.74,-.75,;-3.4,.03,)|
Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(Cl)cccc1Cl |(18.94,3.99,;18.04,2.74,;16.5,2.73,;16.03,1.27,;17.27,.36,;18.52,1.28,;19.98,.81,;21.3,1.6,;21.28,3.14,;22.65,.85,;23.97,1.65,;25.32,.9,;26.62,1.7,;27.97,.96,;28,-.59,;29.35,-1.34,;30.67,-.54,;32.02,-1.29,;32.05,-2.83,;33.34,-.49,;33.34,-2.05,;26.68,-1.38,;25.33,-.64,;17.28,-1.18,;15.95,-1.95,;14.62,-1.18,;15.95,-3.5,;17.28,-4.27,;18.62,-3.5,;18.61,-1.95,;19.94,-1.17,)|
O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1 |r,wU:1.0,wD:1.10,(4.69,-4.9,;3.94,-6.24,;5.47,-6.23,;6.25,-7.56,;5.48,-8.9,;3.94,-8.9,;3.17,-7.57,;4.49,-6.79,;4.89,-8.27,;3.17,-4.9,;2.4,-3.58,;1.62,-2.24,;.08,-2.24,;-.69,-.91,;.09,.42,;-.68,1.76,;-2.23,1.76,;-2.99,.43,;-4.53,.43,;-5.3,1.76,;-4.54,3.09,;-2.99,3.09,;-6.84,1.75,;-7.61,3.08,;-7.61,.41,;-9.15,.41,;-9.92,1.74,;-9.15,3.08,;-9.92,4.41,;-11.47,4.4,;-12.25,3.06,;-11.47,1.73,;1.62,.43,;2.39,-.9,)|
NS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Cc1cc(n[nH]1)C(O)=O
Clc1ccc2c(c1)o[nH]c2=O
OC(=O)c1cc2occc2[nH]1
c1csc2c1[nH]c(c2)C(=O)O
Oc1cc2c(Cl)c(F)ccc2[nH]c1=O
Oc1cc2c(Cl)cccc2[nH]c1=O
CC(C)Oc1ncc(cc1C#N)-c1nc(no1)-c1ccc2CCNCCc2c1
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CC(=O)N[C@@H](C)CO)CCc2c1C |r|
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCc2c1C)C(CO)CO
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCc2c1)C(CO)CO
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCc2c1)C(CO)CO
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cnc2CN(CCc2c1C)C(CO)CO
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CCOc12)C(CO)CO
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25|
Cc1cccc(Nc2nc(NCC3CCCCN3)ncc2C(N)=O)c1
Cc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1
Cc1cccc(Nc2nc(N[C@@H]3CCNC3)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@H]3CCNC3)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(NC3CNC3)ncc2C(N)=O)c1
Cc1cccc(Nc2nc(NC[C@@H]3CCCN3)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(NC[C@H]3CCCN3)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@@H]3COCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@@H]3COC[C@@H]3N)ncc2C(N)=O)c1 |r|
Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r|
Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N
COc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r|
Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@@H]3CCC(F)(F)C[C@@H]3N)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)ncc2C(N)=O)c1 |r|
Cc1cccc(Nc2nc(N[C@H]3CCCNC3)ncc2C(N)=O)c1 |r|
c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F
Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r|
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:12.16,wD:8.9,(-11.69,1.29,;-10.92,-.05,;-9.38,-.04,;-8.61,1.29,;-7.07,1.29,;-6.3,-.04,;-7.07,-1.37,;-8.6,-1.38,;-4.76,-.04,;-5.53,-1.37,;-4,-1.39,;-2.46,-1.39,;-1.69,-.06,;-2.45,1.28,;-4,1.29,;-.15,-.06,;.94,-1.16,;2.04,-.08,;.95,1.02,;3.58,-.08,;4.34,-1.42,;3.57,-2.75,;5.88,-1.42,;6.65,-2.76,;8.19,-2.76,;9.09,-4.01,;10.55,-3.53,;10.55,-1.99,;11.69,-.97,;11.38,.53,;9.91,1,;8.78,-.02,;9.1,-1.51,;9.59,2.51,;10.73,3.54,;8.12,2.98,;9.18,4.01,)|
CC(C)Cn1c(O)cn(Cc2ccc(cc2)-c2cccc(CN3CCCCC3)n2)c1=O
FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
CN(CC=CC=Cc1ccc(cc1F)C(F)(F)F)Cc1ccc2OCOc2c1
CN(CC=Cc1ccc(F)cc1C(F)(F)F)Cc1ccc2OCOc2c1
CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1
CC(C)c1nc(no1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1 |r|
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1
COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1
COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1
Cc1ncoc1-c1nnc(SCCCN2CCc3nc4cc(ccn4c3CC2)C(F)(F)F)n1C
Cc1ccc2nc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3n2c1
Cc1nc2ccc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3c2s1
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(C)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3nc4ccc(cn4c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4ccc(cn4c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4cc(ccn4c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4ccccn4c3CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4ccc(Cl)cn4c3CC2)n1C
Cc1ccn2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3nc2c1
CCc1nc2ccc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3c2s1
CCc1nc2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2s1
Cc1nc2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2s1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(C)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(F)(F)F)n1C
Cc1cc(-c2nc3c4CCN(CCCSc5nnc(-c6ocnc6C)n5C)CCc4ccc3o2)n(C)n1
Cc1cc(-c2nc3c4CCN(CCCSc5nnc(-c6cccc7nc(C)ccc67)n5C)CCc4ccc3o2)n(C)n1
Cc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Cl)cc2o1
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C
Cn1c(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)nnc1-c1ccccc1
Cc1ncccc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C
Cc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C
Cc1cnc(cn1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(C)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C
CCc1nc2c3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3ccc2o1
CCc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3ccc2o1
Cc1nc2c3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3ccc2o1
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)C#N)C(F)(F)F |r|
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F |r|
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)C#N)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N)C(F)(F)F |r|
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)C#N
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)C#N
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O
CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)S(C)(=O)=O)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)S(C)(=O)=O)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cccc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
CC(C)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1 |r|
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1OCC1CC1)C#N
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1 |r|
CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F |r|
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1 |r|
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
Fc1cccc(c1)-c1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r|
CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)C(=O)C3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3CCC33CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(Cl)cc12)-c1ccc(C)o1
COc1cc2c(NC3CC4CCC(C3)N4C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
C[C@@H](C(=O)N1CCC(CC1)Oc1ccc(cc1C(N)=O)-c1cn(C)cn1)c1ccc(OC(F)(F)F)cc1 |r|
Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Cn1cnc(c1)-c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O
CCNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
C[C@H](C(=O)N1CCC(CC1)Oc1ccc(cc1C(N)=O)-c1cn(C)cn1)c1ccc(OC(F)(F)F)cc1 |r|
Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC3CC3)c(F)c2)c(c1)C(N)=O
Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r|
Cn1cnc(c1)-c1cnc(O[C@@H]2CCN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r|
Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r|
CC(C)(O)COc1ccc(C(N)=O)c(O[C@@H]2CCN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
CC(C)(CO)Oc1ccc(C(N)=O)c(O[C@@H]2CCN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F
CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O
Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r|
Cn1cnc(c1)-c1cnc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
CC(C)(O)COc1ccc(C(N)=O)c(O[C@@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Cn1cnc(c1)-c1cnc(N)c(O[C@H]2CN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Cn1cnc(c1)-c1cnc(O[C@@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r|
Cc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1
Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3n(C)cnc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1 |r|
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3sncc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2ccccc2)cc1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3sccc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)cc1 |r|
[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1
[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 |r,wU:62.64,57.58,10.10,32.33,1.0,5.5,wD:3.3,12.12,14.15,60.61,51.52,54.55,49.50,42.43,34.35,45.46,8.8,36.37,30.31,t:17,19,21,23,27,29,(-9.21,4.62,;-9.51,3.64,;-8.06,4.03,;-7.11,2.79,;-6.63,1.32,;-5.12,1,;-4.49,.19,;-6.09,2.18,;-5.52,3.61,;-6.28,4.58,;-3.99,3.82,;-3.61,4.78,;-3.04,2.61,;-1.82,2.79,;-3.61,1.18,;-2.86,.2,;-5.59,3.01,;-4.6,1.87,;-3.07,2.09,;-2.12,1,;-.68,1.25,;.41,.08,;1.8,.35,;2.79,-.78,;4.26,-.58,;7.2,-.01,;6.73,-1.44,;7.74,-2.62,;7.26,-4.01,;9.36,-5.18,;8.86,-7.52,;9.7,-8.43,;7.25,-7.74,;6.8,-8.88,;6.25,-6.52,;6.71,-5.37,;4.67,-6.71,;4.24,-7.86,;3.59,-5.49,;2.05,-5.69,;1.63,-6.85,;.98,-4.53,;-.55,-4.69,;-1.01,-5.83,;-1.54,-3.51,;-3.06,-3.7,;-3.5,-4.85,;-4.14,-2.5,;-5.71,-2.68,;-6.76,-1.49,;-6.32,-.34,;-8.34,-1.66,;-8.79,-2.8,;-9.38,-.46,;-10.97,-.66,;-11.4,-1.81,;-12.06,.58,;-11.58,1.99,;-12.79,1.76,;-12.54,3.11,;-12.01,4.55,;-12.8,5.49,;-10.52,4.8,;-9.54,6,;-9.98,7.15,;-8.33,5.8,;-10.07,2.21,)|
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N(C)C |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N(C)C |r|
CO[C@@H]1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r|
CO[C@H]1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=O |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=O |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(OC(F)(F)F)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(cc2C1)C#N |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(Br)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(Cl)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(F)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(OC(C)C)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(OC)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)[N+]([O-])=O |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(Br)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(Cl)cc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncccc2C1 |r|
COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@]12C[C@@H](C[C@H]1CCCC2)NC1CCOCC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC(=O)C1CCOCC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NCC1CCOCC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCOCC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCS(=O)(=O)CC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCSCC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCCCCC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCCCC1 |r|
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCCC1 |r|
CCC(CC)N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N
COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCOCC1
COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1
O=P(NCc1ccccc1-c1cccnc1)(c1ccccc1)c1ccccc1
Fc1ccc(c(NP(=O)(c2ccccc2)c2ccccc2)c1)-n1cccn1
COc1ccc(cc1)-c1ncccc1NP(=O)(c1ccccc1)c1ccccc1
CCCN(c1cccc(c1)S(C)(=O)=O)P(=O)(c1ccccc1)c1ccccc1
CCCN(c1cccc(c1)C#N)P(=O)(c1ccccc1)c1ccccc1
O=P(Nc1cccc(c1)C#N)(c1ccccc1)c1ccccc1
CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1
CCCN(c1cncnc1)P(=O)(c1ccccc1)c1ccccc1
O=P(N(Cc1ccccn1)Cc1ccccn1)(c1ccccc1)c1ccccc1
O=P(N(CCCC#N)c1cccnc1)(c1ccccc1)c1ccccc1
COCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1
O=P(N(c1cccnc1)c1cccnc1)(c1ccccc1)c1ccccc1
O=P(Nc1cccnc1)(c1ccccc1)c1ccccc1
CCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(27.6,-40.52,;28.39,-41.87,;29.2,-43.17,;30.74,-43.13,;31.47,-41.77,;30.65,-40.47,;29.12,-40.51,;33,-41.72,;34.05,-40.6,;35.19,-41.65,;34.13,-42.77,;36.72,-41.6,;37.54,-42.9,;36.81,-44.26,;39.07,-42.85,;39.89,-44.16,;41.42,-44.11,;42.24,-45.42,;43.79,-45.36,;44.51,-44,;43.69,-42.7,;44.41,-41.34,;43.6,-40.04,;42.06,-40.08,;41.33,-41.44,;42.15,-42.75,;41.25,-38.78,;41.98,-37.42,;39.71,-38.82,;40.47,-37.44,;26.85,-41.92,;25.98,-43.2,;24.5,-42.77,;24.45,-41.23,;25.9,-40.71,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(27.85,-29.59,;28.63,-30.93,;29.44,-32.24,;30.98,-32.2,;31.71,-30.84,;30.89,-29.53,;29.36,-29.58,;33.25,-30.79,;34.3,-29.66,;35.43,-30.71,;34.37,-31.84,;36.97,-30.66,;37.78,-31.97,;37.06,-33.32,;39.32,-31.92,;40.13,-33.22,;41.67,-33.17,;42.49,-34.49,;44.04,-34.43,;44.76,-33.07,;43.94,-31.76,;44.66,-30.41,;43.85,-29.1,;42.31,-29.15,;41.58,-30.51,;42.4,-31.81,;41.5,-27.84,;42.23,-26.49,;39.96,-27.89,;40.71,-26.5,;27.09,-30.98,;26.23,-32.27,;24.75,-31.84,;24.69,-30.3,;26.14,-29.77,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ccnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(3.44,-29.68,;4.22,-31.03,;5.03,-32.34,;6.57,-32.29,;7.3,-30.93,;6.48,-29.63,;4.95,-29.67,;8.84,-30.88,;9.89,-29.76,;11.02,-30.81,;9.96,-31.93,;12.55,-30.76,;13.37,-32.06,;12.64,-33.42,;14.9,-32.01,;15.72,-33.32,;17.25,-33.27,;18.07,-34.58,;19.62,-34.52,;20.34,-33.16,;19.52,-31.86,;20.24,-30.5,;19.43,-29.2,;17.89,-29.25,;17.16,-30.6,;17.98,-31.91,;17.08,-27.94,;17.81,-26.59,;15.54,-27.99,;16.3,-26.6,;2.68,-31.08,;1.82,-32.36,;.34,-31.93,;.29,-30.4,;1.74,-29.87,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C#N)c1cncs1 |r,wU:4.7,wD:1.0,(28.36,-18.05,;29.15,-19.4,;29.96,-20.71,;31.5,-20.66,;32.23,-19.3,;31.41,-18,;29.88,-18.04,;33.76,-19.25,;34.82,-18.13,;35.95,-19.18,;34.89,-20.31,;37.48,-19.13,;38.3,-20.43,;37.57,-21.79,;39.83,-20.38,;40.65,-21.69,;42.18,-21.64,;43,-22.95,;44.55,-22.89,;45.27,-21.53,;44.46,-20.23,;45.18,-18.87,;44.36,-17.57,;42.82,-17.62,;42.1,-18.97,;42.91,-20.28,;42.01,-16.31,;42.74,-14.95,;40.48,-16.36,;41.23,-14.97,;45.37,-24.2,;46.19,-25.49,;27.61,-19.45,;26.74,-20.73,;25.26,-20.31,;25.21,-18.77,;26.66,-18.24,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(4.75,-17.97,;5.53,-19.31,;6.34,-20.62,;7.88,-20.58,;8.61,-19.22,;7.79,-17.91,;6.26,-17.96,;10.15,-19.17,;11.2,-18.05,;12.33,-19.09,;11.27,-20.22,;13.87,-19.04,;14.68,-20.35,;13.95,-21.71,;16.22,-20.3,;17.03,-21.6,;18.57,-21.55,;19.38,-22.87,;20.93,-22.81,;21.65,-21.45,;20.84,-20.14,;21.56,-18.79,;20.75,-17.48,;19.21,-17.53,;18.48,-18.89,;19.29,-20.19,;18.4,-16.22,;19.12,-14.87,;16.86,-16.27,;17.61,-14.89,;21.75,-24.11,;21.03,-25.47,;23.29,-24.06,;22.51,-25.44,;3.99,-19.36,;3.13,-20.65,;1.65,-20.22,;1.59,-18.68,;3.04,-18.16,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(27.22,-4.64,;28.01,-5.98,;28.82,-7.29,;30.36,-7.25,;31.09,-5.89,;30.27,-4.58,;28.74,-4.63,;32.63,-5.84,;33.68,-4.71,;34.81,-5.76,;33.75,-6.89,;36.35,-5.71,;37.16,-7.02,;36.43,-8.37,;38.7,-6.97,;39.51,-8.27,;41.05,-8.22,;41.86,-9.54,;43.41,-9.48,;44.13,-8.12,;43.32,-6.81,;44.04,-5.46,;43.23,-4.15,;41.68,-4.2,;40.96,-5.56,;41.77,-6.86,;40.87,-2.89,;41.6,-1.54,;39.34,-2.94,;40.09,-1.55,;44.23,-10.78,;43.51,-12.14,;45.77,-10.72,;44.99,-12.11,;26.47,-6.03,;25.6,-7.32,;24.12,-6.89,;24.07,-5.35,;25.52,-4.82,)|
Cc1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@](O)(CC2)c2cncs2)c2cc(ccc2n1)C(F)(F)F |r,wU:13.13,wD:16.17,(20.81,-12.17,;19.99,-10.87,;18.44,-10.92,;17.62,-9.61,;16.09,-9.66,;15.27,-8.36,;13.74,-8.41,;13.01,-9.76,;12.93,-7.1,;11.39,-7.15,;10.26,-6.1,;9.21,-7.23,;10.33,-8.28,;7.67,-7.28,;6.94,-8.64,;5.4,-8.68,;4.59,-7.37,;3.81,-6.03,;5.32,-6.02,;6.85,-5.97,;3.05,-7.42,;2.19,-8.71,;.71,-8.28,;.65,-6.74,;2.1,-6.21,;18.35,-8.25,;17.54,-6.95,;18.26,-5.59,;19.81,-5.54,;20.62,-6.85,;19.9,-8.2,;20.71,-9.51,;17.45,-4.28,;18.18,-2.93,;15.92,-4.33,;16.67,-2.94,)|
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3C#N)c2c1 |r,wU:21.21,24.28,(43.42,-49.77,;42.69,-51.12,;41.15,-51.17,;41.9,-49.78,;43.5,-52.43,;45.04,-52.39,;45.85,-53.69,;45.13,-55.05,;45.95,-56.35,;45.23,-57.71,;43.67,-57.77,;42.86,-56.46,;41.32,-56.51,;40.51,-55.2,;38.97,-55.25,;38.24,-56.61,;38.16,-53.94,;36.62,-53.99,;35.49,-52.95,;34.43,-54.07,;35.56,-55.12,;32.9,-54.12,;32.17,-55.48,;30.63,-55.52,;29.82,-54.21,;30.55,-52.86,;32.08,-52.81,;28.27,-54.27,;27.56,-55.62,;26.03,-55.68,;25.2,-54.37,;25.93,-53.01,;27.47,-52.95,;28.2,-51.6,;28.92,-50.25,;43.59,-55.1,;42.77,-53.79,)|
Oc1ccccc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:10.14,7.7,(3.9,-51.18,;3.17,-52.53,;1.63,-52.58,;.9,-53.95,;1.73,-55.26,;3.26,-55.2,;3.98,-53.85,;5.52,-53.79,;6.33,-55.1,;7.87,-55.06,;8.6,-53.7,;7.78,-52.39,;6.25,-52.44,;10.13,-53.65,;11.19,-52.53,;12.32,-53.57,;11.26,-54.7,;13.86,-53.52,;14.67,-54.83,;13.94,-56.19,;16.21,-54.78,;17.02,-56.09,;18.56,-56.03,;19.37,-57.35,;20.92,-57.29,;21.64,-55.93,;20.83,-54.63,;21.55,-53.27,;20.74,-51.96,;19.2,-52.01,;18.47,-53.37,;19.28,-54.67,;18.39,-50.7,;19.11,-49.35,;16.85,-50.75,;17.6,-49.36,)|
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccn3)c2c1 |r,wU:21.21,24.28,(66.52,-40.31,;65.79,-41.67,;64.25,-41.71,;65.01,-40.33,;66.6,-42.98,;68.14,-42.93,;68.95,-44.23,;68.23,-45.59,;69.05,-46.89,;68.33,-48.25,;66.78,-48.31,;65.96,-47,;64.42,-47.05,;63.61,-45.74,;62.07,-45.79,;61.35,-47.15,;61.26,-44.49,;59.72,-44.54,;58.59,-43.49,;57.54,-44.61,;58.66,-45.66,;56,-44.66,;55.28,-46.02,;53.73,-46.07,;52.92,-44.76,;53.66,-43.4,;55.19,-43.36,;51.38,-44.81,;50.58,-43.5,;49.04,-43.55,;48.31,-44.91,;49.13,-46.22,;50.67,-46.16,;66.69,-45.64,;65.87,-44.33,)|
Nc1cccnc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:10.14,7.7,(29.1,-42.49,;28.38,-43.85,;26.84,-43.9,;26.11,-45.26,;26.93,-46.57,;28.47,-46.51,;29.18,-45.16,;30.72,-45.11,;31.53,-46.42,;33.08,-46.37,;33.8,-45.01,;32.99,-43.7,;31.45,-43.75,;35.34,-44.96,;36.39,-43.84,;37.52,-44.89,;36.46,-46.01,;39.06,-44.84,;39.87,-46.14,;39.15,-47.5,;41.41,-46.09,;42.22,-47.4,;43.76,-47.35,;44.58,-48.66,;46.13,-48.6,;46.85,-47.24,;46.03,-45.94,;46.75,-44.58,;45.94,-43.28,;44.4,-43.32,;43.67,-44.68,;44.49,-45.99,;43.59,-42.02,;44.32,-40.66,;42.05,-42.06,;42.81,-40.68,)|
Oc1ccc(nc1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:10.14,7.7,(.93,-44.85,;2.47,-44.8,;3.19,-43.44,;4.73,-43.39,;5.54,-44.7,;4.83,-46.05,;3.29,-46.11,;7.08,-44.65,;7.89,-45.96,;9.43,-45.91,;10.16,-44.55,;9.34,-43.25,;7.81,-43.29,;11.69,-44.5,;12.75,-43.38,;13.88,-44.43,;12.82,-45.55,;15.41,-44.38,;16.23,-45.68,;15.5,-47.04,;17.77,-45.63,;18.58,-46.94,;20.12,-46.89,;20.93,-48.2,;22.48,-48.14,;23.2,-46.78,;22.39,-45.48,;23.11,-44.12,;22.3,-42.82,;20.75,-42.86,;20.03,-44.22,;20.84,-45.53,;19.94,-41.56,;20.67,-40.2,;18.41,-41.6,;19.16,-40.22,)|
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cccnc3)c2c1 |r,wU:21.21,24.28,(66.88,-29.9,;66.15,-31.25,;64.61,-31.3,;65.37,-29.91,;66.96,-32.56,;68.5,-32.51,;69.31,-33.82,;68.59,-35.17,;69.41,-36.48,;68.69,-37.84,;67.14,-37.9,;66.32,-36.58,;64.78,-36.63,;63.97,-35.33,;62.43,-35.38,;61.71,-36.73,;61.62,-34.07,;60.08,-34.12,;58.95,-33.07,;57.9,-34.2,;59.02,-35.25,;56.36,-34.25,;55.63,-35.61,;54.09,-35.65,;53.28,-34.34,;54.01,-32.99,;55.54,-32.94,;51.74,-34.39,;50.93,-33.08,;49.39,-33.13,;48.67,-34.49,;49.49,-35.81,;51.03,-35.75,;67.05,-35.22,;66.23,-33.92,)|
COc1cnccc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.15,8.8,(27.66,-39.2,;28.37,-37.84,;27.55,-36.54,;26.01,-36.59,;25.19,-35.28,;25.92,-33.92,;27.46,-33.87,;28.26,-35.18,;29.8,-35.13,;30.61,-36.44,;32.16,-36.39,;32.89,-35.04,;32.07,-33.73,;30.54,-33.77,;34.42,-34.98,;35.47,-33.86,;36.61,-34.91,;35.55,-36.04,;38.14,-34.86,;38.96,-36.16,;38.23,-37.52,;40.5,-36.11,;41.31,-37.42,;42.85,-37.37,;43.66,-38.68,;45.21,-38.63,;45.93,-37.26,;45.12,-35.96,;45.84,-34.6,;45.03,-33.3,;43.48,-33.35,;42.76,-34.7,;43.57,-36.01,;42.67,-32.04,;43.4,-30.68,;41.14,-32.09,;41.89,-30.7,)|
Nc1cnccc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:10.14,7.7,(5.31,-37.43,;4.48,-36.13,;2.95,-36.19,;2.12,-34.87,;2.85,-33.51,;4.39,-33.46,;5.2,-34.77,;6.74,-34.72,;7.55,-36.03,;9.09,-35.99,;9.82,-34.63,;9,-33.32,;7.47,-33.37,;11.36,-34.58,;12.41,-33.45,;13.54,-34.5,;12.48,-35.63,;15.08,-34.45,;15.89,-35.76,;15.17,-37.11,;17.43,-35.71,;18.24,-37.01,;19.78,-36.96,;20.6,-38.28,;22.15,-38.22,;22.87,-36.86,;22.05,-35.55,;22.77,-34.19,;21.96,-32.89,;20.42,-32.94,;19.69,-34.3,;20.51,-35.6,;19.61,-31.63,;20.34,-30.27,;18.07,-31.68,;18.83,-30.29,)|
COc1cccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:12.16,wD:8.9,(51.27,-29.54,;52.81,-29.48,;53.53,-28.12,;52.7,-26.81,;53.43,-25.45,;54.97,-25.39,;55.78,-26.71,;55.06,-28.06,;57.32,-26.65,;56.53,-25.31,;58.13,-27.96,;59.67,-27.92,;60.4,-26.56,;59.58,-25.25,;58.05,-25.3,;61.94,-26.51,;62.99,-25.39,;64.12,-26.43,;63.06,-27.56,;65.66,-26.38,;66.47,-27.69,;65.74,-29.05,;68.01,-27.64,;68.82,-28.95,;70.36,-28.9,;71.17,-30.21,;72.72,-30.15,;73.44,-28.79,;72.63,-27.49,;73.35,-26.13,;72.54,-24.83,;71,-24.87,;70.27,-26.23,;71.08,-27.53,;70.19,-23.56,;70.91,-22.21,;68.65,-23.61,;69.4,-22.23,)|
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:12.16,wD:8.9,(24.79,-24.34,;25.6,-25.64,;27.14,-25.59,;27.87,-24.23,;29.41,-24.18,;30.21,-25.49,;29.5,-26.84,;27.97,-26.9,;31.76,-25.44,;30.97,-24.09,;32.57,-26.75,;34.11,-26.7,;34.84,-25.34,;34.02,-24.04,;32.49,-24.08,;36.37,-25.29,;37.43,-24.17,;38.56,-25.22,;37.5,-26.35,;40.1,-25.17,;40.91,-26.47,;40.18,-27.83,;42.45,-26.42,;43.26,-27.73,;44.8,-27.68,;45.61,-28.99,;47.17,-28.94,;47.89,-27.57,;47.07,-26.27,;47.79,-24.91,;46.98,-23.61,;45.44,-23.66,;44.71,-25.01,;45.52,-26.32,;44.63,-22.35,;45.35,-20.99,;43.09,-22.39,;43.84,-21.01,)|
CC(C)c1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:12.16,wD:8.9,(2.82,-22.87,;2.71,-24.4,;1.33,-25.08,;3.99,-25.27,;4.04,-26.81,;5.52,-27.23,;6.39,-25.95,;5.44,-24.74,;7.93,-25.9,;7.14,-24.55,;8.74,-27.21,;10.28,-27.16,;11.01,-25.8,;10.19,-24.5,;8.66,-24.54,;12.55,-25.75,;13.6,-24.63,;14.73,-25.68,;13.67,-26.81,;16.27,-25.63,;17.08,-26.93,;16.36,-28.29,;18.62,-26.88,;19.43,-28.19,;20.97,-28.14,;21.79,-29.45,;23.34,-29.4,;24.06,-28.03,;23.24,-26.73,;23.96,-25.37,;23.15,-24.07,;21.61,-24.12,;20.88,-25.47,;21.7,-26.78,;20.8,-22.81,;21.53,-21.45,;19.26,-22.85,;20.01,-21.47,)|
Cc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:10.14,wD:6.7,(48.59,-14.53,;49.86,-15.39,;49.91,-16.94,;51.4,-17.36,;52.26,-16.08,;51.31,-14.87,;53.8,-16.03,;53.02,-14.68,;54.61,-17.34,;56.15,-17.29,;56.88,-15.93,;56.06,-14.63,;54.53,-14.67,;58.42,-15.88,;59.47,-14.76,;60.6,-15.81,;59.54,-16.93,;62.14,-15.76,;62.95,-17.06,;62.22,-18.42,;64.49,-17.01,;65.3,-18.32,;66.84,-18.27,;67.65,-19.58,;69.2,-19.52,;69.92,-18.16,;69.11,-16.86,;69.83,-15.5,;69.02,-14.2,;67.47,-14.25,;66.75,-15.6,;67.56,-16.91,;66.67,-12.94,;67.39,-11.58,;65.13,-12.98,;65.88,-11.6,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(28.33,-14.35,;29.11,-15.69,;29.92,-17,;31.46,-16.96,;32.19,-15.6,;31.37,-14.29,;29.84,-14.34,;33.73,-15.55,;34.78,-14.43,;35.91,-15.47,;34.85,-16.6,;37.45,-15.42,;38.26,-16.73,;37.54,-18.09,;39.8,-16.68,;40.61,-17.98,;42.15,-17.93,;42.96,-19.25,;44.51,-19.19,;45.23,-17.83,;44.42,-16.53,;45.14,-15.17,;44.33,-13.87,;42.79,-13.91,;42.06,-15.27,;42.87,-16.57,;41.98,-12.6,;42.7,-11.25,;40.44,-12.65,;41.19,-11.27,;27.57,-15.74,;26.71,-17.03,;25.23,-16.6,;25.17,-15.06,;26.62,-14.54,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccns1 |r,wU:4.7,wD:1.0,(5.38,-14.92,;6.16,-16.27,;6.97,-17.58,;8.52,-17.53,;9.24,-16.17,;8.43,-14.87,;6.9,-14.91,;10.78,-16.12,;11.83,-15,;12.96,-16.05,;11.9,-17.17,;14.5,-16,;15.31,-17.3,;14.58,-18.66,;16.84,-17.25,;17.66,-18.56,;19.19,-18.51,;20.01,-19.82,;21.56,-19.76,;22.28,-18.4,;21.46,-17.1,;22.18,-15.74,;21.37,-14.44,;19.83,-14.49,;19.1,-15.84,;19.92,-17.15,;19.02,-13.18,;19.75,-11.82,;17.49,-13.23,;18.24,-11.84,;4.62,-16.32,;3.76,-17.6,;2.28,-17.17,;2.23,-15.64,;3.68,-15.11,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1nccs1 |r,wU:4.7,wD:1.0,(52.5,-3.46,;53.29,-4.8,;54.1,-6.11,;55.64,-6.07,;56.36,-4.71,;55.55,-3.4,;54.02,-3.45,;57.9,-4.66,;58.95,-3.53,;60.08,-4.58,;59.03,-5.71,;61.62,-4.53,;62.43,-5.84,;61.71,-7.19,;63.97,-5.79,;64.78,-7.09,;66.32,-7.04,;67.14,-8.35,;68.69,-8.3,;69.41,-6.94,;68.59,-5.63,;69.31,-4.27,;68.5,-2.97,;66.96,-3.02,;66.23,-4.38,;67.05,-5.68,;66.15,-1.71,;66.88,-.36,;64.61,-1.76,;65.37,-.37,;51.75,-4.85,;50.88,-6.14,;49.4,-5.71,;49.35,-4.17,;50.8,-3.64,)|
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccccc1 |r,wU:4.7,wD:1.0,(28.7,-4.79,;29.48,-6.14,;30.29,-7.45,;31.83,-7.4,;32.56,-6.04,;31.74,-4.74,;30.21,-4.78,;34.1,-5.99,;35.15,-4.87,;36.28,-5.92,;35.22,-7.05,;37.82,-5.87,;38.63,-7.17,;37.9,-8.53,;40.17,-7.12,;40.98,-8.43,;42.52,-8.38,;43.33,-9.69,;44.88,-9.63,;45.6,-8.27,;44.79,-6.97,;45.51,-5.61,;44.7,-4.31,;43.16,-4.36,;42.43,-5.71,;43.24,-7.02,;42.35,-3.05,;43.07,-1.69,;40.81,-3.1,;41.56,-1.71,;27.94,-6.19,;27.14,-4.88,;25.61,-4.92,;24.87,-6.28,;25.68,-7.59,;27.22,-7.54,)|
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3)c2c1 |r,wU:21.21,24.28,(19.25,-1.63,;18.52,-2.99,;16.99,-3.03,;17.74,-1.65,;19.33,-4.29,;20.87,-4.25,;21.69,-5.55,;20.97,-6.91,;21.78,-8.21,;21.06,-9.57,;19.51,-9.63,;18.69,-8.32,;17.16,-8.37,;16.34,-7.06,;14.81,-7.11,;14.08,-8.47,;13.99,-5.81,;12.46,-5.86,;11.32,-4.81,;10.27,-5.93,;11.4,-6.98,;8.74,-5.98,;8.01,-7.34,;6.47,-7.38,;5.66,-6.08,;6.39,-4.72,;7.92,-4.67,;4.11,-6.13,;3.31,-4.81,;1.79,-4.86,;1.04,-6.21,;1.86,-7.53,;3.4,-7.48,;19.42,-6.96,;18.61,-5.65,)|
CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3|
Clc1cccc(c1)C1CNCC=CC1 |c:12|
Clc1ccc(cc1)C1CNCC=CC1 |c:12|
Fc1ccc(cc1Cl)C1CNCC=CC1 |c:13|
Cc1cc(ccc1Cl)C1CNCC=CC1 |c:13|
CN1CC=CCC(C1)c1ccc(Cl)c(C)c1 |c:3|
Cc1ccc(cc1Cl)C1CNCC=CC1 |c:13|
C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5|
Clc1ccc(cc1Cl)[C@H]1CNCC=CC1 |r,c:13|
Clc1ccc(cc1Cl)[C@@H]1CNCC=CC1 |r,c:13|
CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3|
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
OCC[C@@]1(CCCNC1)c1cc2ccccc2o1 |r|
OCC[C@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r|
OCC[C@@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r|
COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:6|
OCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:5|
Clc1ccc(cc1Cl)C1CCCCNC1
CN1CCCCC(C1)c1ccc(Cl)c(Cl)c1
C1NCC(CC=C1)c1cc2ccccc2o1 |c:5|
NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Cn1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)n1
Cn1cc(CN2CCc3cc4nc(N)sc4cc3CC2)cn1
Nc1nc2cc3CCN(Cc4ncon4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4cscn4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4cnco4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4ccncc4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4cccnc4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4ccccn4)CCc3cc2s1
CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
CN(C)C(=O)c1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1
COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1
COc1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1
Nc1nc2cc3CCN(Cc4cccc(F)c4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4ccc(F)cc4)CCc3cc2s1
Nc1nc2cc3CCN(Cc4ccccc4)CCc3cc2s1
Nc1nc2cc3CCN(CCc3cc2s1)C(=O)c1ccccc1
Nc1nc2cc3CCN(CCO)CCc3cc2s1
CN(C)C(=O)CN1CCc2cc3nc(N)sc3cc2CC1
Nc1nc2cc3CCN(CC(F)(F)F)CCc3cc2s1
Nc1nc2cc3CCN(CCc3cc2s1)C1CC1
CCN1CCc2cc3nc(N)sc3cc2CC1
CN1CCc2cc3nc(N)sc3cc2CC1
Nc1nc2cc3CCNCCc3cc2s1
COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(2.01,-1.15,;2.01,.39,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)|
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1
[#6]\[#6](C#N)=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1F)-[#7]-1-[#6]-[#6@H](-[#6]-n2cc(F)nn2)-[#8]-[#6]-1=O |r|
[#6]\[#6](C#N)=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1F)-[#7]-1-[#6]-[#6@H](-[#6]-n2ccnn2)-[#8]-[#6]-1=O |r|
Fc1cn(-[#6]-[#6@H]-2-[#6]-[#7](-[#6](=O)-[#8]-2)-c2ccc(-[#7]-3-[#6]-[#6]\[#6](-[#6]-[#6]-3)=[#6]/C#N)c(F)c2)nn1 |r|
Fc1cc(ccc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#N)-[#7]-1-[#6]-[#6@H](-[#6]-n2ccnn2)-[#8]-[#6]-1=O |r|
Cc1ccc(cc1C)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Cc1ccc(cc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N
Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C
C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|
CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O
CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 |r|
COCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCO)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CO)c1ccc(Cl)cc1
CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCS(N)(=O)=O)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1
CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
CN(C)C(=O)CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC(=O)C(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1 |r|
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1
CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccn1
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1cccnc1
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cc1ccccc1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1
CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
C[C@@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
OC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-c1ccc(nc1)C#N |r|
CC(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-c1ccc(nc1)C#N |r|
CN1C[C@H](OC1=O)c1ccc(cn1)-c1ccc2N3[C@@H](COc2c1)[C@H](CO)OC3=O |r|
OCC1CN(C(=O)O1)c1ccc(cn1)-c1ccc2N3[C@@H](COc2c1)[C@H](CO)OC3=O |r|
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|
Cc1ccc(OCC#Cc2cccc(C#CCOc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(OCCCc2cccc(CCCOc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(cc1)C#CCOCc1cccc(COCC#Cc2ccc(C)cc2)[n+]1C
Cc1ccc(CCCOCc2cccc(COCCCc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(OCCCc2cc(N)cc(CCCOc3ccc(C)cc3)n2)cc1
C[n+]1c(CCc2ccccc2)cccc1CCc1ccccc1
C(Cc1cccc(CCc2ccccc2)n1)c1ccccc1
C[n+]1c(COc2ccccc2)cccc1COc1ccccc1
C(Oc1ccccc1)c1cccc(COc2ccccc2)n1
C[n+]1c(CCCOc2ccccc2Cl)cccc1CCCOc1ccccc1Cl
C[n+]1c(CCCOc2cccc(Cl)c2)cccc1CCCOc1cccc(Cl)c1
C[n+]1c(cccc1C#CCOc1ccccc1)C#CCOc1ccccc1
C[n+]1c(cccc1C#Cc1ccccc1Cl)C#Cc1ccccc1Cl
C[n+]1c(cccc1C#Cc1cccc(Cl)c1)C#Cc1cccc(Cl)c1
C[n+]1c(cccc1C#Cc1ccc(Cl)cc1)C#Cc1ccc(Cl)cc1
COc1ccc(cc1)C#Cc1cccc(C#Cc2ccc(OC)cc2)[n+]1C
Cc1ccc(OCCCc2cccc(C#CCOc3ccc(C)cc3)[n+]2C)cc1
CCCCCCC#Cc1cccc(C#CCCCCCC)[n+]1C
Cc1ccc(CCOCCCc2cccc(CCCOCCc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(CCc2cccc(CCc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(CCOCC#Cc2cccc(C#CCOCCc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(cc1)C#Cc1cccc(C#Cc2ccc(C)cc2)[n+]1C
Cc1ccc(CCOCc2cccc(COCCc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(COCc2cccc(COCc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(OCc2cccc(COc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(Cc2cc[n+](C)c(COc3ccc(C)cc3)c2)cc1
Cc1ccc(Cc2cccc(COc3ccc(C)cc3)[n+]2C)cc1
Cc1ccc(Cc2ccnc(COc3ccc(C)cc3)c2)cc1
Cc1ccc(Cc2cccc(COc3ccc(C)cc3)n2)cc1
Cc1ccc(OCC#Cc2cc(N)cc(n2)C#CCOc2ccc(C)cc2)cc1
CN(CCOc1ccc(C)cc1)CCc1ccc(C)cc1
COc1ccc(OCCCc2cccc(CCCOc3ccc(OC)cc3)[n+]2C)cc1
C[n+]1c(CCCOc2ccccc2)cccc1CCCOc1ccccc1
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C(C)C |r|
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8|
CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
CCOC(=O)N1CCC(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
CS(=O)(=O)c1ccc(cc1Cl)[C@@H](CC1CCCC1)C(=O)Nc1cnc(cn1)[C@H](O)CO |r|
CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)NC(=O)NCCN1CCCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1
CC(C)(C)NC(=O)NCCN1CCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1
CC(C)(C)NC(=O)NCCN1CC(C1)NC(=O)c1cc(Cl)cc(Cl)c1
CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
CC(C)(C)NC(=O)NCCN1CCOC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)NC(=O)NCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1
CC(C)(C)NC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(F)c1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(Cl)c1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccc(Cl)cc1
CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2CC2)C2CC2)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2CCCC2)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2(F)CC2)C(F)(F)F)(CC1)c1ccccc1
CN1CCC(COCc2cc(cc(n2)C2(F)CC2)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)C2CC2(C)C)C(F)(F)F)(CC1)c1ccc(F)cc1
CC1CC1c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)nc(c1)C1CC1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccccc1
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccc(F)cc1
[#6]-[#7]-1-[#6]-[#6]C([#6]-[#8]-[#6]-c2cc(cc(\[#6]=[#6](/[#6])-[#6])n2)C(F)(F)F)([#6]-[#6]-1)c1ccc(F)cc1
C\C=C\c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CC(C)Cc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CC(C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
COc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CN1CCC(COCc2cc(cc(n2)C#N)C(F)(F)F)(CC1)c1ccccc1
CN1CCC(COCc2cc(ccn2)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)N2CCC(CC2)C#N)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCN(CC1)c1cc(cc(COCC2(CCNCC2)c2ccccc2)n1)C(F)(F)F
CN1CCC(COCc2cc(cc(n2)N2CCC(C2)C#N)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)N2CC=CC2)C(F)(F)F)(CC1)c1ccc(F)cc1 |c:17|
CN1CCC(COCc2cc(cc(n2)N2CCC3CC23)C(F)(F)F)(CC1)c1ccc(F)cc1
CN1CCC(COCc2cc(cc(n2)N2CCCC2)C(F)(F)F)(CC1)c1ccccc1
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)nc(c1)N1CCCC1
CC(C)CN(CC(C)C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CCN(C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CCC(CC)Nc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CCNc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CCN(CC)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F
CN1CCC(COCc2cc(Cl)cc(n2)C(F)(F)F)(CC1)c1ccccc1
FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1
Clc1cc(COCC2(CCNCC2)c2ccccc2)cc(Cl)n1
CN1CCC(COCc2cncc(Br)c2)(CC1)c1ccccc1
Brc1cncc(COCC2(CCNCC2)c2ccccc2)c1
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1F
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccc(F)cc1
Fc1ccc(cc1)C1(COCc2cc(cc(Cl)n2)C(F)(F)F)CCNCC1
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccc(Cl)cc1
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1
FC(F)(F)c1cc(Cl)nc(COCC2(CCNCC2)c2ccccc2)c1
FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)c1
Brc1cccc2nc(ccc12)C#Cc1ccccn1
c1ccc(nc1)C#Cc1ccc2ccccc2n1
COc1cccc2nc(ccc12)C#Cc1cccnc1
COc1cccc2nc(ccc12)C#Cc1ccccc1
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1cccc(c1)C(=O)NCCO |r|
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1ccc2nc[nH]c(=O)c2c1 |r|
COc1ccc(cc1C(=O)N(C)C)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
CNC(=O)c1cc(ccc1OC)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
COc1ccc(cc1C(N)=O)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
COc1ccc(cc1C(C)O)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)-n1ccnc1)N1CCOC[C@@H]1C |r|
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCN(C)CC1)N1CCOC[C@@H]1C |r|
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
COc1ccc(cc1CNCCO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r|
CNC(=O)c1cc(ccc1OC(F)F)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
CNCc1cccc(c1)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r|
COCC(C)Nc1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1ccc(OC)c(CO)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOC[C@@H]2C)c2ncc(nc2n1)-c1ccccc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2ccc(nc2n1)-c1cccc(CNCCO)c1 |r|
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r|
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CC[C@@H](O)C1)N1CCOC[C@@H]1C |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1ccccc1 |r|
O[C@H](COc1ccc(cc1)C(F)(F)F)CN1CCN(Cc2c(F)cccc2Cl)CC1 |r|
COc1cccc(c1)N1CCN(C[C@H](O)COc2ccc(cc2)C(F)(F)F)CC1 |r|
O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 |r|
O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 |r|
O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2c(F)cccc2Cl)CC1 |r|
O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 |r|
O[C@@H](COc1ccc(cc1)C(F)(F)F)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)C(F)(F)F)CC1 |r|
O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 |r|
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Sc3ccc(F)cc3)nc2C1=O
CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2
CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3
CN1CCC(CC1)c1nn(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccccc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2CCCCc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C2CCNCC2)c2cc(F)ccc12
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(C)cc12
CC(C)(CO)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2cc(F)ccc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2ccc(OC(F)F)cc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2ccc(OC(F)F)cc12
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2cc(OC(F)F)ccc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CCOCC2)c2ccc(OC(F)F)cc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CC(C2)C#N)c2ccc(OC(F)F)cc12
CN1CC(Cn2nc(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c3cc(OC(F)F)ccc23)C1
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc12 |r,wU:17.17,14.14,wD:14.13,(53.18,-18.88,;51.65,-18.73,;50.62,-19.88,;49.21,-19.26,;47.88,-20.04,;47.89,-21.59,;46.55,-22.36,;45.21,-21.59,;43.75,-22.07,;42.83,-20.82,;43.74,-19.57,;43.25,-18.11,;44.28,-16.96,;41.75,-17.79,;41.26,-16.33,;40.16,-17.41,;41.96,-14.96,;40.58,-14.26,;40.1,-12.8,;39.89,-15.64,;45.21,-20.04,;46.55,-19.27,;49.37,-17.72,;48.34,-16.59,;48.8,-15.14,;50.3,-14.8,;50.77,-13.34,;51.34,-15.94,;50.87,-17.4,)|
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc12 |r,wU:14.13,17.17,wD:14.14,(33.77,-18.94,;32.23,-18.78,;31.21,-19.93,;29.8,-19.32,;28.47,-20.09,;28.47,-21.64,;27.14,-22.41,;25.8,-21.64,;24.33,-22.13,;23.42,-20.88,;24.32,-19.62,;23.84,-18.16,;24.87,-17.01,;22.33,-17.85,;21.85,-16.38,;20.75,-17.47,;22.55,-15.01,;21.17,-14.32,;20.69,-12.86,;20.48,-15.69,;25.8,-20.1,;27.13,-19.33,;29.95,-17.78,;28.93,-16.65,;29.39,-15.19,;30.89,-14.86,;31.36,-13.39,;31.93,-16,;31.46,-17.46,)|
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2c(cccc12)C(C)(C)O
CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO |r,c:11,17,t:7|
CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O
Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r|
O[C@H]1CCCC[C@@H]1n1cnc2c3ccccc3c(Cc3ccc(Cl)nc3)cc2c1=O |r|
COc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r|
O[C@H]1CCCC[C@@H]1n1cnc2c3ccccc3c(Cc3cccnc3)cc2c1=O |r|
CSc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r|
C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2c(C)noc2C)c(C)c1 |r|
C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r|
CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r|
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r|
Cc1ccc(CN2CC[C@@H](N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(O[C@@H]2CCOC2)c2nc(N)nc(C)c2c1 |r|
CNc1nc(C)c2cc(cc(O[C@@H]3CCOC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 |r|
CNc1nc(C)c2cc(cc(OC3CCOCC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2nc(N)nc(C)c2c1
CCCS(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
CCCS(=O)(=O)N[C@@H]1CCN(C1=O)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r|
Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r|
O=S(=O)(CC1CC1)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r|
O=S(=O)(CC1CC1)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r|
O=S(=O)(CC1CC1)NC1CN(C1)c1ccc2OC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r|
COCc1ccc(cn1)-c1cc2c3n([C@H]4C[C@@H](C4)OC)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,wD:16.19,(5.2,-7.83,;6.54,-8.6,;7.87,-7.83,;9.21,-8.59,;10.55,-7.82,;11.88,-8.59,;11.88,-10.14,;10.55,-10.91,;9.22,-10.14,;13.21,-10.91,;14.54,-10.14,;15.88,-10.9,;17.2,-10.13,;17.51,-8.62,;16.47,-7.49,;14.93,-7.43,;15,-5.9,;16.53,-5.96,;13.95,-4.76,;14.41,-3.29,;19.03,-8.45,;19.79,-7.11,;19.67,-9.85,;21.18,-10.15,;18.54,-10.88,;18.55,-12.44,;17.21,-13.21,;15.88,-12.45,;14.54,-13.22,;13.21,-12.45,;11.87,-13.22,)|
COCc1ccc(cn1)-c1cc2c3n([C@@H]4C[C@@H](C4)OC)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,16.19,(46.47,-34.32,;47.8,-35.09,;49.14,-34.31,;50.47,-35.08,;51.81,-34.31,;53.14,-35.08,;53.14,-36.62,;51.81,-37.39,;50.48,-36.63,;54.47,-37.39,;55.8,-36.62,;57.14,-37.39,;58.47,-36.61,;58.77,-35.11,;57.73,-33.98,;57.8,-32.45,;56.26,-32.38,;56.2,-33.92,;55.21,-31.25,;55.67,-29.78,;60.3,-34.94,;61.06,-33.59,;60.93,-36.33,;62.44,-36.64,;59.8,-37.37,;59.81,-38.92,;58.48,-39.7,;57.14,-38.93,;55.81,-39.71,;54.47,-38.94,;53.13,-39.71,)|
Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1cccnc1
CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.37,4.9,;2.97,3.41,;4.06,2.32,;4.06,.78,;5.6,.78,;5.6,2.32,;6.69,-.31,;6.37,-1.82,;7.71,-2.59,;7.71,-4.13,;6.37,-4.9,;5.04,-4.13,;3.7,-4.9,;2.37,-4.13,;2.37,-2.59,;3.7,-1.82,;5.04,-2.59,;1.04,-1.82,;1.04,-.28,;-.3,.49,;-1.63,-.28,;-2.96,.49,;-4.3,-.28,;-5.63,.49,;-6.96,-.28,;-8.3,.49,;-8.7,1.98,;-10.18,1.58,;-9.79,.1,;-1.63,-1.82,;-.3,-2.59,;8.85,-1.56,;10.18,-2.33,;8.22,-.15,;8.99,1.19,)|
COCc1ccc(cn1)-c1cc2c3n([C@@H]4C[C@H](O)C4)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,16.17,(5.35,-21.87,;6.69,-22.64,;8.02,-21.86,;9.36,-22.63,;10.7,-21.86,;12.03,-22.63,;12.03,-24.18,;10.7,-24.95,;9.36,-24.18,;13.36,-24.95,;14.69,-24.18,;16.03,-24.94,;17.35,-24.17,;17.66,-22.66,;16.62,-21.53,;16.68,-20,;15.14,-19.93,;14.1,-18.8,;15.08,-21.47,;19.18,-22.49,;19.94,-21.15,;19.82,-23.88,;21.33,-24.19,;18.69,-24.92,;18.7,-26.48,;17.36,-27.25,;16.03,-26.48,;14.69,-27.26,;13.36,-26.49,;12.02,-27.26,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;-.65,-4.13,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)|
CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@@H](C4)OC)c3c2c1 |r,wD:24.24,26.29,(-9.91,.47,;-8.57,1.24,;-7.24,.47,;-5.91,1.24,;-4.57,.47,;-3.24,1.24,;-1.91,.47,;-.57,1.24,;.76,.47,;.76,-1.07,;-.57,-1.84,;-1.91,-1.07,;2.1,-1.84,;2.1,-3.38,;3.43,-4.15,;4.76,-3.38,;6.1,-4.15,;7.43,-3.38,;7.43,-1.84,;8.57,-.81,;9.91,-1.58,;7.95,.6,;8.72,1.93,;6.42,.43,;5.33,1.52,;3.79,1.52,;3.79,3.06,;5.33,3.06,;2.7,4.15,;1.21,3.75,;6.1,-1.07,;4.76,-1.84,;3.43,-1.07,)|
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1
CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.99,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;8.5,-1.56,;9.99,-1.95,;7.87,-.15,;8.64,1.19,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(CO)nc2)n(C)c1=O |r,wU:4.6,2.1,(14.71,-32.7,;14.25,-34.17,;15.29,-35.31,;16.83,-35.37,;16.77,-36.9,;15.23,-36.84,;17.81,-38.04,;17.5,-39.54,;18.84,-40.29,;18.85,-41.85,;17.51,-42.63,;16.18,-41.86,;14.84,-42.64,;13.51,-41.87,;12.17,-42.64,;13.51,-40.32,;14.84,-39.55,;16.17,-40.31,;12.18,-39.55,;12.18,-38.01,;10.84,-37.24,;9.51,-38.01,;8.17,-37.24,;6.84,-38.01,;9.51,-39.56,;10.85,-40.32,;19.97,-39.26,;21.48,-39.56,;19.33,-37.86,;20.09,-36.52,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(NC(=O)CCCN(C)C)nc2)n(C)c1=O |r,wU:4.6,2.1,(57.12,-16.93,;56.67,-18.4,;57.71,-19.53,;59.24,-19.6,;59.18,-21.13,;57.65,-21.07,;60.22,-22.26,;59.91,-23.76,;61.25,-24.52,;61.26,-26.07,;59.92,-26.84,;58.59,-26.08,;57.26,-26.86,;55.92,-26.09,;54.59,-26.85,;55.92,-24.54,;57.25,-23.77,;58.59,-24.53,;54.59,-23.77,;54.6,-22.23,;53.26,-21.46,;51.93,-22.23,;50.59,-21.46,;49.26,-22.23,;49.26,-23.77,;47.93,-21.47,;46.59,-22.24,;45.26,-21.47,;43.93,-22.24,;42.59,-21.47,;43.93,-23.78,;51.93,-23.78,;53.27,-24.54,;62.38,-23.48,;63.89,-23.79,;61.74,-22.08,;62.5,-20.74,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(nc2)C(=O)NCCN(C)C)n(C)c1=O |r,wU:4.6,2.1,(55.4,-1.13,;54.94,-2.6,;55.98,-3.73,;57.52,-3.79,;57.45,-5.33,;55.92,-5.27,;58.5,-6.46,;58.19,-7.96,;59.53,-8.71,;59.54,-10.27,;58.2,-11.04,;56.87,-10.28,;55.53,-11.06,;54.2,-10.28,;52.86,-11.05,;54.2,-8.74,;55.53,-7.97,;56.86,-8.73,;52.87,-7.97,;52.87,-6.43,;51.54,-5.66,;50.2,-6.43,;50.21,-7.98,;51.54,-8.74,;48.86,-5.66,;48.86,-4.12,;47.53,-6.43,;46.2,-5.66,;44.86,-6.44,;43.53,-5.67,;42.19,-6.44,;43.52,-4.13,;60.66,-7.68,;62.17,-7.98,;60.02,-6.28,;60.78,-4.94,)|
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@H](O)C4)c3c2c1 |r,wD:25.25,27.28,(-9.98,.47,;-8.65,1.24,;-8.65,2.78,;-7.32,.47,;-5.98,1.24,;-4.65,.47,;-3.32,1.24,;-1.98,.47,;-.65,1.24,;.68,.47,;.68,-1.07,;-.65,-1.84,;-1.98,-1.07,;2.02,-1.84,;2.02,-3.38,;3.35,-4.15,;4.69,-3.38,;6.02,-4.15,;7.35,-3.38,;7.35,-1.84,;8.5,-.81,;9.98,-1.21,;7.87,.6,;8.64,1.93,;6.34,.43,;5.25,1.52,;3.71,1.52,;3.71,3.06,;2.62,4.15,;5.25,3.06,;6.02,-1.07,;4.69,-1.84,;3.35,-1.07,)|
COCc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Cn1c2cnc3cc(F)c(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;.68,-4.9,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;-.65,-4.13,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)|
NC(=O)c1cnc2ccc(cc2c1NC1CCOCC1)-c1cccnc1
CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.76,4.9,;3.37,3.41,;4.45,2.32,;4.45,.78,;5.99,.78,;5.99,2.32,;7.08,-.31,;6.76,-1.82,;8.1,-2.59,;8.1,-4.13,;6.76,-4.9,;5.43,-4.13,;4.1,-4.9,;2.76,-4.13,;2.76,-2.59,;4.1,-1.82,;5.43,-2.59,;1.43,-1.82,;1.43,-.28,;.09,.49,;-1.24,-.28,;-2.57,.49,;-3.91,-.28,;-5.24,.49,;-6.57,-.28,;-7.91,.49,;-7.91,2.03,;-9.24,2.8,;-10.57,2.03,;-10.57,.49,;-9.24,-.28,;-1.24,-1.82,;.09,-2.59,;9.24,-1.56,;10.57,-2.33,;8.61,-.15,;9.38,1.19,)|
COCc1ccc(cn1)-c1cc2c3n([C@H]4CC[C@@H](CC4)OC)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,wD:17.21,(46.71,-18.13,;48.04,-18.9,;49.37,-18.13,;50.71,-18.9,;52.04,-18.13,;53.37,-18.9,;53.37,-20.44,;52.05,-21.21,;50.71,-20.45,;54.7,-21.21,;56.03,-20.44,;57.37,-21.2,;58.69,-20.43,;59,-18.93,;57.96,-17.8,;56.46,-18.13,;55.42,-16.99,;55.89,-15.52,;57.39,-15.2,;58.42,-16.33,;54.85,-14.38,;53.34,-14.71,;60.52,-18.75,;61.28,-17.41,;61.16,-20.15,;62.67,-20.45,;60.03,-21.18,;60.04,-22.74,;58.7,-23.51,;57.37,-22.75,;56.03,-23.52,;54.7,-22.75,;53.37,-23.52,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.62,4.9,;3.22,3.41,;4.31,2.32,;4.31,.78,;5.85,.78,;5.85,2.32,;6.93,-.31,;6.61,-1.82,;7.95,-2.59,;7.95,-4.13,;6.61,-4.9,;5.28,-4.13,;3.95,-4.9,;2.61,-4.13,;2.61,-2.59,;3.95,-1.82,;5.28,-2.59,;1.28,-1.82,;1.28,-.28,;-.05,.49,;-1.39,-.28,;-2.72,.49,;-4.06,-.28,;-5.39,.49,;-6.72,-.28,;-8.06,.49,;-8.06,2.03,;-9.52,2.51,;-10.43,1.26,;-9.52,.02,;-1.39,-1.82,;-.05,-2.59,;9.09,-1.56,;10.43,-2.33,;8.47,-.15,;9.24,1.19,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(nc2)N(C)CCN(C)C)n(C)c1=O |r,wU:4.6,2.1,(33.93,-31.06,;33.47,-32.53,;34.52,-33.66,;36.05,-33.73,;35.99,-35.26,;34.45,-35.2,;37.03,-36.39,;36.73,-37.89,;38.06,-38.65,;38.07,-40.2,;36.74,-40.98,;35.4,-40.21,;34.06,-40.99,;32.73,-40.22,;31.39,-40.99,;32.73,-38.67,;34.06,-37.9,;35.4,-38.67,;31.4,-37.9,;31.4,-36.36,;30.07,-35.59,;28.73,-36.36,;28.74,-37.91,;30.07,-38.67,;27.4,-35.59,;27.39,-34.05,;26.06,-36.37,;24.73,-35.6,;23.39,-36.37,;22.06,-35.6,;23.4,-37.91,;39.19,-37.61,;40.7,-37.92,;38.56,-36.22,;39.31,-34.87,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(NCCN(C)C)nc2)n(C)c1=O |r,wU:4.6,2.1,(34.23,-16.26,;33.77,-17.73,;34.82,-18.87,;36.35,-18.93,;36.29,-20.46,;34.75,-20.4,;37.33,-21.59,;37.02,-23.1,;38.36,-23.85,;38.37,-25.41,;37.03,-26.18,;35.7,-25.41,;34.36,-26.19,;33.03,-25.42,;31.69,-26.19,;33.03,-23.88,;34.36,-23.11,;35.7,-23.87,;31.7,-23.11,;31.7,-21.56,;30.37,-20.79,;29.03,-21.56,;27.69,-20.8,;26.36,-21.57,;25.02,-20.8,;23.69,-21.57,;22.35,-20.8,;23.69,-23.11,;29.04,-23.11,;30.37,-23.88,;39.49,-22.81,;41,-23.12,;38.85,-21.42,;39.61,-20.08,)|
COCc1ccc(cn1)-c1cc2c3n([C@@H](C)C4CCOCC4)c(=O)n(C)c3cnc2cc1F |r|
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCN(C)C)nc2)n(C)c1=O |r,wU:4.6,2.1,(15.94,-4.52,;15.48,-5.99,;16.52,-7.13,;18.06,-7.19,;17.99,-8.72,;16.46,-8.66,;19.03,-9.85,;18.73,-11.36,;20.06,-12.11,;20.07,-13.67,;18.74,-14.44,;17.4,-13.67,;16.07,-14.45,;14.73,-13.68,;13.4,-14.45,;14.73,-12.14,;16.06,-11.37,;17.4,-12.13,;13.4,-11.37,;13.4,-9.82,;12.07,-9.05,;10.73,-9.82,;9.4,-9.05,;8.07,-9.83,;6.73,-9.06,;5.4,-9.83,;4.06,-9.06,;5.4,-11.37,;10.74,-11.37,;12.07,-12.14,;21.19,-11.07,;22.7,-11.38,;20.56,-9.68,;21.32,-8.34,)|
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(CS(C)(=O)=O)nc2)n(C)c1=O |r,wU:4.6,2.1,(34.14,-2.59,;33.68,-4.06,;34.73,-5.2,;36.26,-5.26,;36.2,-6.79,;34.66,-6.73,;37.24,-7.92,;36.93,-9.43,;38.27,-10.18,;38.28,-11.74,;36.95,-12.51,;35.61,-11.75,;34.27,-12.53,;32.94,-11.75,;31.6,-12.52,;32.94,-10.21,;34.27,-9.44,;35.61,-10.2,;31.61,-9.44,;31.61,-7.89,;30.28,-7.12,;28.94,-7.89,;27.6,-7.13,;26.27,-7.9,;24.93,-7.13,;27.03,-9.23,;25.5,-9.22,;28.95,-9.44,;30.28,-10.21,;39.4,-9.15,;40.91,-9.45,;38.77,-7.75,;39.52,-6.41,)|
Cn1c2cnc3cc(F)c(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1 |r|
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r|
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCOC4)c3c2c1 |r|
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;.68,-4.9,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)|
CN(C)CCCOc1ccc(cn1)-c1cc2c3n(C4CCOCC4)c(=O)n(C)c3cnc2cc1F
COCc1ccc(cn1)-c1cc2c3n(C4CCOCC4)c(=O)n(C)c3cnc2cc1F
NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r|
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r|
O[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:1.0,12.16,(56.67,-24.62,;58,-25.4,;59.33,-24.64,;60.65,-25.41,;61.98,-24.63,;63.31,-25.39,;63.32,-26.95,;61.98,-27.72,;60.65,-26.95,;59.31,-27.71,;57.97,-28.47,;57.96,-30,;59.29,-30.78,;60.63,-30.02,;60.64,-28.48,;59.28,-32.32,;57.93,-33.07,;57.92,-34.61,;59.25,-35.4,;60.59,-34.64,;60.61,-33.09,;59.23,-36.93,;57.89,-37.69,;57.87,-39.22,;59.19,-40.01,;60.54,-39.26,;60.56,-37.71,;57.99,-26.93,)|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:6.5,17.21,(36.64,-28.39,;37.97,-29.17,;39.31,-28.4,;40.63,-29.18,;40.62,-30.72,;41.97,-28.42,;43.3,-29.2,;44.64,-28.44,;45.96,-29.21,;47.28,-28.43,;48.62,-29.2,;48.62,-30.75,;47.28,-31.52,;45.95,-30.75,;44.62,-31.51,;43.28,-32.27,;43.27,-33.8,;44.6,-34.58,;45.93,-33.82,;45.95,-32.28,;44.58,-36.12,;43.24,-36.87,;43.22,-38.41,;44.55,-39.19,;45.89,-38.43,;45.91,-36.89,;44.54,-40.73,;43.19,-41.48,;43.17,-43.01,;44.49,-43.81,;45.84,-43.05,;45.86,-41.51,;43.29,-30.74,)|
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(21.73,-5.98,;23.06,-6.76,;24.4,-6,;25.73,-6.78,;27.06,-6.02,;28.38,-6.79,;29.71,-6.01,;31.04,-6.78,;31.05,-8.33,;29.71,-9.1,;28.38,-8.33,;27.04,-9.09,;25.7,-9.85,;25.7,-11.38,;27.02,-12.16,;28.36,-11.4,;28.37,-9.86,;27.01,-13.7,;25.67,-14.45,;25.65,-15.99,;26.98,-16.77,;28.32,-16.01,;28.34,-14.47,;26.97,-18.31,;25.62,-19.06,;25.6,-20.59,;26.92,-21.39,;28.27,-20.63,;28.29,-19.09,;25.72,-8.32,)|
COc1nn(C)cc1Nc1nc(nc2n(C)cnc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r|
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(CC2)C(C)C)cc1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)N1CCNCC1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCNC(=O)C2)cc1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCNCC2=O)cc1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCNCC2)cc1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C[C@@H](O)CO)CC2)cc1 |r|
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(O)C2CCNCC2)cc1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCNCC2)cc1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(CC2)C(C)C)cc1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
CCc1nc2c(C)cc(C)nn2c1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
CCN[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
N[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2F)cc1
COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3[nH]2)cc1
CCCCCCn1c(NC2CCN(CCc3ccc(OC)cc3)CC2)nc2ccccc12
CCCCCCCCn1c(NC2CCN(CCc3ccc(OC)cc3)CC2)nc2ccccc12
CCCCCCCCCCn1c(NC2CCN(CCc3ccc(OC)cc3)CC2)nc2ccccc12
COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2CCC(C)C)cc1
COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2CC2CCCCC2)cc1
CC(C)OCc1ccccc1CNC(=O)c1c2CCC(C)(C)Cc2c(Cl)n1C
COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(C)c2)c1OC |r|
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccc(nc1)N(C)C)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
CCSc1ccc(cn1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
COc1cc(cnc1OC)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
COc1nc2ccc(Br)cc2cc1[C@@H](c1cc(C)c(C)s1)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
c1cc(ccc1CC(=O)Nc2ccn(n2)Cc3ccc(cn3)C#N)C4(CC4)C(F)(F)F
c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5
Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c(=O)c1nccn21
N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r|
COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccsc1 |r,c:5|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 |c:7|
[H][C@@]12CC(OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1cc(C)no1 |r,t:8|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccccc1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccccc1OC |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cccs1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1nc(NC(=O)c2ccc(OC)cc2)cs1 |r,c:5|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)(F)F)cn2)cs1 |r,c:7|
COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |c:7|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(s1)C(=O)Nc1cccc(OC)n1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccccc1C(F)(F)F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1nccs1 |r,c:5|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2C)cs1 |r,c:7|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(s1)C(=O)Nc1cccc(OC)c1 |r,c:5|
[H][C@@]12CC(OC[C@@]1(N=C(N)S[C@@H]2C)c1ccc(F)cc1F)c1cc(C)no1 |r,t:8|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncccc1F |r,c:5|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |c:7|
CCN(CC)[C@@H](C)CNC(=O)c1ccnc(c1)-c1cnn2ccc(nc12)-c1cccs1 |r|
CCN(CC)[C@@H](C)CNC(=O)c1cc(CC)nc(c1)-c1cnn2ccc(nc12)-c1cccs1 |r|
CCN(CC)CCNC(=O)c1ccnc(c1)-c1cnn2ccc(nc12)-c1cccs1
CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)-c1cnn2ccc(nc12)-c1cccs1)N1CC(O)C1 |r|
CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)-c1cnn2ccc(nc12)-c1cccs1)N1CC(C1)OC |r|
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4
CC(C)C(=O)N1CC(C1)(N(C)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
CC(C)CC(=O)N1CC(C1)(N(C)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1
FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1
FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1
COc1ccc(CCN2CCC(CCc3cccc(OCCF)c3)CC2)cc1
FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1
FCCOc1cccc(CCN2CCN(CCc3ccccc3)CC2)c1
FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
FCCOc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1
COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1
COc1ccc(CCN2CCC(CCc3ccccc3OCCF)CC2)cc1
FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1
FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1
FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1
FCCOc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
COCCCN1CCC(CC1)c1nnc(o1)-c1cccc2cc(nn12)C(C)C
CC(C)c1cc2cccc(-c3nnc(o3)C3CCN(CC4CCOCC4)CC3)n2n1
NC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N
Clc1ccc(cc1)-c1ccc2OC(CCCCN3CCN(C3=O)c3ccncc3)CCc2c1
CCO\N=C\c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1
CCO\N=C1/CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc12
CCO\N=C\c1ccc(OCCC(C)CCN2CCN(C2=O)c2ccnc(N)c2)cc1
Clc1ccc(cc1)-c1ccc(OCCCCCN2CCN(CC2=O)c2ccncc2)cc1
Clc1ccc(cc1)-c1ccc(OCCCCCN2CCN(c3ccncc3)S2(=O)=O)cc1
COc1cc2CNc3c(Nc2cc1OC)ncnc3Oc1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)cc2)cc1F
COc1cc2nccc(Oc3ccc(NC(=O)C(C)(C)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
CC1=C[C@](CF)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1,6|
C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3
O[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
FC(F)(F)Oc1ccc(NC(=O)c2cncc(c2)-c2cncnc2)cc1
COc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(NC(=O)c2ccc(OCCN3CCCC3)c(c2)-c2cncnc2)cc1
OCCCNc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
CN1CCN(CC1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
C[C@@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
O[C@@H]1CCN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2cncnc2)cc1
COCCNc1cc(O)c2c(c1)oc1c(Cc3ccc4OCOc4c3)[nH]c(-c3nccs3)c1c2=O
COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1
COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1
COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1
C[C@@H]1CN(CCO1)[C@H]1CC[C@@H](CC1)Oc1ncnc2[nH]cc(C)c12 |r,wU:10.14,wD:7.7,1.0,(32.6,-8.53,;31.28,-7.75,;29.95,-8.51,;28.61,-7.72,;28.62,-6.2,;29.96,-5.43,;31.29,-6.21,;27.28,-8.49,;25.94,-7.72,;24.6,-8.48,;24.61,-10.01,;25.94,-10.79,;27.27,-10.03,;23.28,-10.78,;23.28,-12.32,;24.61,-13.08,;24.62,-14.63,;23.28,-15.4,;21.95,-14.63,;20.48,-15.12,;19.57,-13.87,;20.47,-12.62,;19.99,-11.16,;21.95,-13.09,)|
C[C@H]1CN(CCO1)[C@H]1CC[C@@H](CC1)Oc1ncnc2[nH]cc(C)c12 |r,wU:10.14,1.0,wD:7.7,(46.8,-8.82,;45.47,-8.04,;44.14,-8.8,;42.8,-8.01,;42.81,-6.48,;44.15,-5.72,;45.48,-6.5,;41.47,-8.78,;40.14,-8,;38.8,-8.77,;38.8,-10.3,;40.14,-11.08,;41.46,-10.31,;37.47,-11.07,;37.47,-12.61,;38.81,-13.37,;38.81,-14.92,;37.48,-15.69,;36.14,-14.92,;34.68,-15.4,;33.76,-14.16,;34.67,-12.9,;34.19,-11.44,;36.14,-13.38,)|
[H][C@@]12CN([C@H]3CC[C@@H](CC3)Oc3ncnc4[nH]cc(C)c34)[C@@]([H])(CO1)C2 |r,wU:7.10,wD:4.3,21.24,1.0,(76.94,-10.46,;76.18,-9.14,;74.85,-9.9,;73.52,-9.11,;72.18,-9.88,;70.85,-9.11,;69.51,-9.87,;69.52,-11.4,;70.85,-12.18,;72.18,-11.42,;68.19,-12.17,;68.19,-13.71,;69.52,-14.47,;69.53,-16.02,;68.19,-16.79,;66.86,-16.02,;65.39,-16.51,;64.48,-15.26,;65.38,-14.01,;64.9,-12.54,;66.85,-14.48,;73.52,-7.59,;72.74,-6.25,;74.86,-6.82,;76.19,-7.6,;75,-7.98,)|
Cc1c[nH]c2ncnc(O[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:10.9,wD:13.16,(7.02,-12.52,;7.5,-13.98,;6.59,-15.24,;7.51,-16.48,;8.98,-16,;10.31,-16.77,;11.64,-16,;11.64,-14.45,;10.3,-13.69,;10.3,-12.15,;11.63,-11.38,;11.63,-9.85,;12.97,-9.08,;14.3,-9.85,;14.29,-11.39,;12.97,-12.16,;15.63,-9.09,;16.97,-9.87,;18.3,-9.12,;18.31,-7.58,;16.98,-6.8,;15.64,-7.56,;8.97,-14.45,)|
[H][C@]12CN([C@H]3CC[C@@H](CC3)Oc3ncnc4[nH]cc(C)c34)[C@]([H])(CO1)C2 |r,wU:7.10,21.24,1.0,wD:4.3,(62.2,-9.82,;61.45,-8.5,;60.12,-9.26,;58.78,-8.47,;57.45,-9.24,;56.12,-8.47,;54.78,-9.23,;54.78,-10.76,;56.11,-11.54,;57.44,-10.78,;53.45,-11.53,;53.45,-13.07,;54.79,-13.83,;54.79,-15.38,;53.46,-16.15,;52.13,-15.38,;50.66,-15.87,;49.74,-14.62,;50.65,-13.37,;50.17,-11.91,;52.12,-13.84,;58.79,-6.95,;58.01,-5.61,;60.13,-6.19,;61.46,-6.96,;60.27,-7.34,)|
CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3
Nc1nc(Nc2cc(C#N)n(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Nc1nc(Nc2cnn(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
CCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
CC(C)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
CN([C@@H]1CCN(C1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r|
COc1cc2ccc(cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2OCOc12)C#N |r|
COc1cccc([C@H](c2cc3cc(Br)ccc3cc2OC)[C@@](O)(CCN(C)C)c2cccc3CCCc23)c1F |r|
CCOc1cc(cc(OCC)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2CCCc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cccc2ccoc12)C#N |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
CCOc1cc(cc(OCC)n1)[C@H](c1cc2cc(Br)ccc2cc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
CCOc1cc(cc(OC)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
CCCOc1cc(cc(OC)n1)[C@H](c1cc2cc(Br)ccc2cc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1ccc2occc2c1 |r|
COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cc2ccccc2o1)C#N |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cc2ccccc2o1 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1ccc2CCN(C)c2c1 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2OCOc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1ccnc2OCCOc12 |r|
COc1cccc([C@H](c2cc3cc(ccc3cc2OC)C#N)[C@@](O)(CCN(C)C)c2cccc3CCCc23)c1OC |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccsc12 |r|
COc1cc(cnc1OC)[C@H](c1cc2cc(Br)ccc2cc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc(cc(OC(C)C)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1ccc2occc2c1 |r|
COc1cc2ccc(cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2CCOc12)C#N |r|
CCOc1cc(cc(OC)n1)[C@H](c1cc2cc(Br)ccc2cc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc(cc(OC(C)C)n1)[C@H](c1cc2cc(Br)ccc2cc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2N(C)CCc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2occc12 |r|
C[C@H]1N(Cc2c[nH]nc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:11|
Cc1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |t:11|
FC(F)(F)c1noc(n1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
FC(F)(F)c1nc(no1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
FC(F)(F)c1nnc(o1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1
COc1ccc(cc1)-n1cc(Cn2ccc3nc(nc3c2)-c2ccccc2F)nn1
CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccncc1
Fc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1Cl
COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3ccc(Cl)c(Cl)c3)c2c1 |r,wU:12.11,wD:15.18,(31.14,-50.49,;31.14,-52.03,;32.47,-52.79,;32.46,-54.34,;33.8,-55.11,;35.13,-54.33,;36.47,-55.1,;37.8,-54.32,;37.8,-52.77,;36.46,-52.02,;36.45,-50.48,;37.78,-49.7,;39.12,-50.46,;40.44,-49.68,;41.77,-50.46,;41.78,-52,;40.45,-52.76,;39.12,-52,;43.11,-52.76,;44.44,-51.99,;45.78,-52.76,;45.77,-54.3,;47.11,-55.07,;48.44,-54.28,;49.77,-55.04,;48.43,-52.74,;49.76,-51.97,;47.1,-51.99,;35.13,-52.79,;33.8,-52.03,)|
COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:12.11,wD:15.18,(3.22,-39.28,;3.22,-40.82,;4.54,-41.58,;4.54,-43.13,;5.88,-43.9,;7.21,-43.12,;8.55,-43.89,;9.88,-43.11,;9.87,-41.56,;8.54,-40.81,;8.53,-39.27,;9.86,-38.49,;11.2,-39.26,;12.52,-38.47,;13.85,-39.25,;13.85,-40.79,;12.53,-41.56,;11.19,-40.8,;15.19,-41.55,;16.52,-40.79,;17.85,-41.55,;17.85,-43.09,;19.18,-43.86,;20.51,-43.08,;21.84,-43.84,;23.17,-43.07,;23.17,-41.53,;21.83,-40.76,;20.51,-41.54,;19.17,-40.78,;7.21,-41.58,;5.87,-40.82,)|
COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(Cl)c3)c2c1
COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(5.35,-50.76,;5.35,-52.3,;6.68,-53.06,;6.68,-54.61,;8.01,-55.38,;9.34,-54.6,;10.68,-55.37,;12.01,-54.59,;12,-53.04,;10.67,-52.29,;10.66,-50.75,;11.99,-49.97,;13.33,-50.73,;14.65,-49.95,;15.98,-50.73,;15.98,-52.27,;14.66,-53.03,;13.33,-52.28,;17.32,-53.03,;18.65,-52.26,;19.98,-53.03,;19.98,-54.56,;21.31,-55.34,;22.64,-54.55,;23.97,-55.32,;25.3,-54.55,;25.3,-53.01,;26.62,-52.24,;23.96,-52.24,;22.64,-53.01,;21.3,-52.26,;9.34,-53.06,;8.01,-52.3,)|
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2c1 |r,wU:12.11,wD:15.18,(24.65,-19.73,;24.65,-21.27,;25.97,-22.03,;25.97,-23.58,;27.31,-24.35,;28.64,-23.57,;29.98,-24.34,;31.31,-23.56,;31.3,-22.01,;29.97,-21.26,;29.96,-19.72,;31.29,-18.94,;32.63,-19.7,;33.95,-18.92,;35.28,-19.7,;35.28,-21.24,;33.96,-22,;32.63,-21.24,;36.62,-22,;37.95,-21.23,;39.29,-22,;39.28,-23.53,;40.61,-24.31,;41.94,-23.52,;43.27,-24.28,;41.94,-21.98,;43.26,-21.21,;40.61,-21.23,;28.64,-22.02,;27.3,-21.27,)|
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(69.39,-2.9,;69.39,-4.44,;70.71,-5.2,;70.71,-6.75,;72.05,-7.52,;73.38,-6.74,;74.71,-7.51,;76.05,-6.73,;76.04,-5.18,;74.7,-4.43,;74.7,-2.89,;76.02,-2.11,;77.36,-2.87,;78.68,-2.09,;80.01,-2.87,;80.02,-4.41,;78.69,-5.17,;77.36,-4.42,;81.35,-5.17,;82.68,-4.4,;84.02,-5.17,;84.01,-6.7,;85.34,-7.48,;86.67,-6.69,;88,-7.46,;89.34,-6.69,;89.33,-5.15,;90.66,-4.38,;88,-4.38,;86.67,-5.15,;85.34,-4.4,;73.38,-5.2,;72.04,-4.44,)|
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3cc4CCCOc4cn3)c2c1 |r,wU:12.11,wD:15.18,(47.65,-3.01,;47.65,-4.55,;48.98,-5.31,;48.98,-6.85,;50.31,-7.63,;51.64,-6.84,;52.98,-7.61,;54.31,-6.84,;54.3,-5.29,;52.97,-4.53,;52.96,-3,;54.29,-2.22,;55.63,-2.98,;56.95,-2.2,;58.28,-2.98,;58.28,-4.52,;56.95,-5.28,;55.62,-4.52,;59.61,-5.28,;60.95,-4.51,;62.28,-5.28,;63.6,-4.51,;64.93,-5.26,;66.26,-4.49,;67.6,-5.26,;67.6,-6.8,;66.26,-7.57,;64.93,-6.8,;63.61,-7.58,;62.27,-6.81,;51.64,-5.3,;50.31,-4.54,)|
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2c1 |r,wU:12.11,wD:15.18,(25.37,-3,;25.37,-4.54,;26.69,-5.3,;26.69,-6.84,;28.03,-7.62,;29.36,-6.84,;30.69,-7.61,;32.03,-6.83,;32.02,-5.28,;30.68,-4.53,;30.68,-2.99,;32,-2.21,;33.34,-2.98,;34.66,-2.19,;35.99,-2.97,;36,-4.51,;34.67,-5.27,;33.34,-4.52,;37.33,-5.27,;38.66,-4.5,;40,-5.27,;41.31,-4.5,;42.65,-5.25,;43.97,-4.48,;45.31,-5.25,;45.31,-6.79,;43.98,-7.56,;42.65,-6.79,;41.32,-7.57,;39.99,-6.8,;29.36,-5.3,;28.02,-4.54,)|
COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2c1 |r,wU:12.11,wD:15.18,(27.93,-39.7,;27.93,-41.24,;29.26,-42.01,;29.26,-43.55,;30.59,-44.33,;31.93,-43.54,;33.26,-44.31,;34.6,-43.54,;34.59,-41.99,;33.25,-41.23,;33.24,-39.69,;34.57,-38.91,;35.91,-39.68,;37.23,-38.9,;38.56,-39.67,;38.57,-41.21,;37.24,-41.98,;35.91,-41.22,;39.9,-41.98,;41.23,-41.21,;42.57,-41.97,;43.89,-41.2,;45.22,-41.96,;46.55,-41.19,;47.89,-41.96,;47.89,-43.5,;46.55,-44.27,;45.22,-43.5,;43.9,-44.28,;42.56,-43.51,;31.93,-42,;30.59,-41.24,)|
COc1ccc2nccc(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)cc3)c2c1 |r,wU:12.11,wD:15.18,(47.34,-19.23,;47.34,-20.77,;48.67,-21.54,;48.66,-23.08,;50,-23.86,;51.33,-23.07,;52.67,-23.84,;54,-23.07,;53.99,-21.52,;52.66,-20.76,;52.65,-19.22,;53.98,-18.44,;55.32,-19.21,;56.64,-18.43,;57.97,-19.2,;57.97,-20.74,;56.65,-21.51,;55.32,-20.75,;59.31,-21.51,;60.64,-20.74,;61.98,-21.5,;61.97,-23.04,;63.3,-23.81,;64.63,-23.03,;65.96,-23.79,;64.63,-21.49,;63.29,-20.73,;51.33,-21.53,;49.99,-20.77,)|
COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc4OCCOc4c3)c2c1
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc4OCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(3.04,-10.85,;3.04,-12.38,;4.37,-13.15,;4.36,-14.69,;5.7,-15.47,;7.03,-14.68,;8.36,-15.45,;9.7,-14.68,;9.69,-13.13,;8.35,-12.37,;8.35,-10.84,;9.68,-10.06,;11.01,-10.82,;12.33,-10.04,;13.66,-10.81,;13.67,-12.35,;12.34,-13.12,;11.01,-12.36,;15,-13.12,;16.33,-12.35,;17.67,-13.11,;17.66,-14.65,;18.99,-15.42,;20.32,-14.64,;21.65,-15.41,;22.99,-14.64,;22.98,-13.1,;24.31,-12.33,;21.65,-12.33,;20.32,-13.1,;18.99,-12.34,;7.03,-13.14,;5.69,-12.38,)|
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:12.11,wD:15.18,(3.21,-3.06,;3.21,-4.6,;4.54,-5.37,;4.53,-6.91,;5.87,-7.68,;7.2,-6.9,;8.54,-7.67,;9.87,-6.89,;9.86,-5.35,;8.53,-4.59,;8.52,-3.05,;9.85,-2.27,;11.19,-3.04,;12.51,-2.26,;13.84,-3.03,;13.84,-4.57,;12.51,-5.34,;11.18,-4.58,;15.18,-5.34,;16.51,-4.57,;17.84,-5.33,;17.84,-6.87,;19.17,-7.64,;20.5,-6.86,;21.83,-7.63,;23.16,-6.85,;23.16,-5.31,;21.82,-4.54,;20.5,-5.32,;19.16,-4.56,;7.2,-5.36,;5.86,-4.6,)|
Cc1cc(SC(Cc2ccccc2)c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
COc1cc(Nc2nc(C)cc(n2)N(C)C)ccc1F
COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(C)cc(n1)N(C)C |r,wU:13.13,wD:16.20,(83.25,-23.35,;83.25,-21.81,;81.92,-21.03,;81.92,-19.49,;80.58,-18.72,;80.58,-17.18,;81.91,-16.41,;79.25,-19.49,;79.25,-21.02,;80.58,-21.8,;77.91,-21.79,;77.91,-23.33,;76.58,-21.01,;75.25,-21.78,;75.24,-23.32,;73.92,-24.09,;72.59,-23.32,;72.58,-21.78,;73.92,-21.01,;71.26,-24.08,;69.92,-23.32,;68.58,-24.09,;67.25,-23.32,;65.91,-24.09,;67.25,-21.78,;68.58,-21,;69.92,-21.77,;68.58,-19.46,;67.24,-18.7,;69.91,-18.69,)|
[H][C@]12CN(c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3)[C@]([H])(CN1C(=O)C=C)C2 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
[H][C@]12CC[C@]([H])(C[C@H](C1)OCCCc1ccc(cc1)S(=O)(=O)Nc1c(CC(C)C)ccc3nn(C)cc13)N2C |r,THB:38:37:7.6.8:3.2|
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@@H]2CCCN2C)cc1 |r|
CC(C)Cc1ccc2nn(C)cc2c1N(C(F)F)S(=O)(=O)c1ccc(CCCCC2CCN(C)CC2)cc1
[H][C@]12CC[C@]([H])(C[C@H](C1)OCCCc1ccc(cc1)S(=O)(=O)Nc1c(CC(C)C)ccc3ncccc13)N2C |r,THB:38:37:7.6.8:3.2|
CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@@H]2CN(C)CCO2)cc1 |r|
[H][C@]12CCCN1CCN(CCCc1ccc(cc1)S(=O)(=O)Nc1c(CC(C)C)ccc3ncccc13)C2 |r|
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@H]2COCCN2C)cc1 |r|
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@H]2CN(C)CCO2)cc1 |r|
Cc1nc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cncn1 |r|
OC(=O)CC(CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnc1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cccn1 |r|
Cc1cc([nH]n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1cn(C)c(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1 |r|
Cc1ccnn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2CCOCC2)c1 |r|
Cc1cnn(c1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1cnn(C)c1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1nncn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@@H]2CCOC2)c1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2COC2)c1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(cc(c1)N1CCOCC1)C1CC1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cnnc1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1 |r|
OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(Br)c1 |r|
Cc1ccn(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C)s1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|
Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r,c:5|
CCC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc3sccc23)C(=O)C1
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@]21[H] |r|
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1-c1ccc(F)cc1
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1-c1ccc(F)cn1
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1Cc1ccc(F)cc1
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1C(C)C
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1C1CC1
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1C1CCCCC1
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1C1CCC1
Cc1c(CN2CCOCC2)cc(-c2ccc(cc2)C(F)(F)F)n1-c1ccc(F)cc1
CC(C)Cn1c(C)c(CN2CCOCC2)cc1-c1ccc(cc1)C(C)C
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1C1CCCOC1
CN(CC=CC=CC=Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
CN(CC=CC=Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
CN(CC=Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
CN(CC=Cc1ccc(C)cc1)Cc1ccc2OCCOc2c1
C[C@H](NC(=O)N(C)C1CCN(CC1)[C@@H]1CCc2cc(ccc12)-c1cc(C)ncn1)c1ccc(C#CC2CC2)c(Cl)c1Cl |r|
COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1
COc1ccccc1-n1nc(cc1-c1csc(Cl)c1)C1CC(C)(C)OC(C)(C)C1
Oc1cc(ccc1-c1ccc(OC2CCNCC2(F)F)nn1)-n1cccn1
CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2s1
CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1cc2ccccc2s1
CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1cccc2ccccc12
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(F)cc1O
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)C#N
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cccn1
CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-n1cccn1
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2cccnc2cc1O
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2cnccc2cc1O
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cc(CO)cn1
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1
Oc1cc(ccc1-c1ccc(nn1)N1CCC2(C1)CCCNC2)-c1cn[nH]c1
CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1ccc2ccccc2c1
CC1(C)CC(CC(C)(C)N1CC(F)(F)F)Oc1ccc(nn1)-c1ccc(cc1O)-n1cccn1
[H][C@@]12CNC[C@]1([H])CN(C2)c1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 |r|
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2cc1O
Oc1cc(ccc1-c1ccc(OC2CCNCC2)nn1)-n1cccn1
CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1ccc(N)n1
CC1(C)CC(Cc2ccc(nn2)-c2ccc(cc2O)-c2cn[nH]c2)CC(C)(C)N1
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
Brc1ccc(Nc2ccc(CN3CCC4(CC3)OCCc3sccc43)cc2)cc1
FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1
CC(C)(C)c1ccc(CN2CCC3(CCCCO3)CC2)cc1
FC(F)(F)Oc1ccc(Oc2ccc(cc2)N2CCC3(CC2)OCCc2sccc32)cc1
NC(=O)c1ccc(nc1Nc1ccc(cc1)N1CCCCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(nc1)N1CCOCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(nc1)N1CCCCC1)N1CC[C@@H](C1)NC(=O)C=C |r|
NC(=O)c1ccc(nc1Nc1ccc(cc1)N1CCC(F)(F)CC1)N1CC[C@@H](C1)NC(=O)C=C |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(ccc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cn1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(ccc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cc1 |r|
CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N
CC1CN(CC(C)O1)C(=O)c1ccc(Nc2nc(ccc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cc1 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OCCN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](CCCN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC5CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc5[nH]ccc5c3)c1)[C@@H]2C)O4 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|
COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1
CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1
CCCCNc1nc(N)nc2CCN(Cc12)C(=O)c1cccs1
CCCCNc1nc(N)nc2CCN(Cc12)C(=O)c1csc(C)n1
CCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1cccs1 |r|
CCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1csc(C)n1 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1csc(C)n1 |r|
CCCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1cccs1 |r|
CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ncc(F)cc34)c2c1
Cc1cc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)n[nH]1
Cc1[nH]nc(Nc2ccnc3cc(OC(F)(F)F)c(cc23)S(=O)(=O)C(C)(C)C)c1C
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4CCCCc34)c2c1
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3cc[nH]n3)c2c1
COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C
CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C
Cc1[nH]nc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)c1C
CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r|
C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r|
C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|
CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r|
CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1
CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
CCOc1cc(CN2CCC(CC2)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc(OCC)c1-c1ccc(F)cc1
[H][C@@]12CCN(Cc3cc(OCC)c(c(OCC)c3)-c3ccc(F)cc3)[C@]1([H])CCC2Nc1nc2ccc(cc2o1)C(O)=O |r|
CCOc1cc(CN2CCC3(CC2)CCN(CC3)S(=O)(=O)c2cccnc2)cc(OCC)c1-c1ccc(F)cc1
CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1
CCOc1cc(CN2CCC3(CC(Cc4ccc(F)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1
CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3C3CC3)C(F)(F)F)CC2)OC1=O
CC(C)n1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)C1CC1
CC1(C)CCOc2c(Cl)cc(CN3CCC4(CN(C(=O)C4)c4ccc(cc4)C(O)=O)CC3)cc12
CN(C)CC(=O)N1CCC[C@H]1c1cc(C(=O)Nc2ncc(Cl)s2)c(C)s1
CCN(CC(O)=O)CC(=O)N1CCC[C@H]1c1cc(C(=O)Nc2ncc(F)s2)c(C)s1 |r|
Clc1ccc(NC(=O)Nc2nccnc2OCc2ccccc2)cc1Cl
CCOC(=O)C1CCN(CC1)c1ccc2c(Nc3cc(C)[nH]n3)nc(nc2c1)-c1ccccc1
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
OC(CCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Brc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
[O-][N+](=O)c1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1
CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1
CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1
CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1
CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1
CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1
COc1cccc(c1)-c1cccc(c1)C1(C)SCCC(N)=N1 |c:22|
COc1cccc(c1)-c1cccc(c1)C1(C)SCC(N)=N1 |c:21|
COc1cccc(c1)-c1cccc(c1)C1(C)CSCC(N)=N1 |c:22|
CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:12|
COc1cccc(c1)-c1cccc(c1)C1(C)COCC(N)=N1 |c:22|
CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:11|
COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 |c:5|
CCC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:12|
COc1cccc(c1)-c1cccc(c1)C1(C)N=C(N)CN1C(C)=O |t:18|
COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1 |c:13|
COc1cccc(c1)-c1cccc(c1)C1(SCC(N)=N1)c1ccncc1 |c:20|
COc1cccc(c1)-c1cccc(c1)C1(C)CCSC(N)=N1 |c:22|
CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cccnc1 |c:11|
COc1ccc(cc1)C1(CCC(N)=N1)c1cccc(c1)-c1cncnc1 |c:13|
COc1ccc(cc1)C1(N=C(N)n2nc(C)cc12)c1cccc(c1)-c1cncnc1 |t:10|
CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 |c:6|
CC1(Sc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:11|
COc1ccc(cc1)C1(N=C(N)c2nc(C)sc12)c1cccc(c1)-c1cncnc1 |t:10|
CC1(SCCC(N)=N1)c1cccc(c1)-c1cncnc1 |c:6|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3)c2c1 |r,wU:10.10,14.13,19.20,(13.77,-16.18,;15.11,-15.41,;16.44,-16.18,;16.44,-17.72,;17.77,-18.49,;19.11,-17.72,;20.44,-18.48,;21.78,-17.71,;21.77,-16.16,;20.43,-15.4,;20.42,-13.86,;19.09,-13.1,;21.75,-13.08,;23.09,-13.84,;24.42,-13.07,;25.76,-13.84,;27.08,-13.07,;27.08,-11.53,;25.74,-10.76,;24.41,-11.53,;23.07,-10.77,;21.74,-11.55,;23.06,-9.23,;28.41,-10.76,;29.9,-11.13,;30.29,-9.63,;28.83,-9.25,;31.62,-8.85,;31.6,-7.32,;32.92,-6.53,;32.91,-5,;34.27,-7.29,;34.28,-8.84,;35.62,-9.6,;32.96,-9.61,;19.11,-16.17,;17.77,-15.41,)|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(F)c3)c2c1 |r,wU:10.10,14.13,19.20,(9.65,-11.39,;10.99,-10.62,;12.32,-11.39,;12.32,-12.93,;13.65,-13.7,;14.99,-12.92,;16.32,-13.69,;17.66,-12.92,;17.65,-11.37,;16.31,-10.61,;16.3,-9.07,;14.97,-8.31,;17.63,-8.29,;18.97,-9.05,;20.3,-8.28,;21.64,-9.05,;22.96,-8.28,;22.96,-6.74,;21.62,-5.97,;20.29,-6.74,;18.95,-5.98,;17.62,-6.76,;18.94,-4.44,;24.29,-5.97,;25.78,-6.34,;26.18,-4.84,;24.71,-4.46,;27.5,-4.06,;28.84,-4.82,;30.16,-4.05,;30.15,-2.5,;28.81,-1.74,;28.79,-.2,;27.48,-2.53,;14.99,-11.38,;13.65,-10.62,)|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3F)c2c1 |r,wU:10.10,14.13,19.20,(6.38,-22.44,;7.71,-21.66,;9.05,-22.43,;9.04,-23.98,;10.38,-24.75,;11.71,-23.97,;13.05,-24.74,;14.38,-23.96,;14.37,-22.41,;13.04,-21.65,;13.03,-20.11,;11.69,-19.35,;14.36,-19.34,;15.69,-20.1,;17.02,-19.32,;18.36,-20.09,;19.69,-19.32,;19.68,-17.78,;18.35,-17.02,;17.01,-17.79,;15.67,-17.03,;14.34,-17.8,;15.66,-15.49,;21.02,-17.01,;22.51,-17.39,;22.9,-15.88,;21.43,-15.5,;24.22,-15.11,;25.56,-15.87,;26.89,-15.09,;28.23,-15.85,;26.88,-13.55,;25.53,-12.79,;25.51,-11.25,;24.21,-13.57,;22.87,-12.82,;11.71,-22.43,;10.37,-21.66,)|
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3F)c2c1 |r,wU:10.10,14.13,19.20,(34.45,-14.08,;35.78,-13.31,;37.11,-14.08,;37.11,-15.62,;38.45,-16.39,;39.78,-15.62,;41.12,-16.38,;42.45,-15.61,;42.44,-14.06,;41.1,-13.3,;41.1,-11.76,;39.76,-11,;42.43,-10.98,;43.76,-11.74,;45.09,-10.97,;46.43,-11.74,;47.75,-10.97,;47.75,-9.43,;46.42,-8.66,;45.08,-9.43,;43.74,-8.67,;42.41,-9.45,;43.73,-7.13,;49.09,-8.66,;50.57,-9.03,;50.97,-7.53,;49.5,-7.15,;52.29,-6.75,;53.63,-7.52,;54.96,-6.74,;54.95,-5.2,;53.6,-4.44,;52.28,-5.22,;50.94,-4.46,;39.78,-14.07,;38.44,-13.31,)|
CCOC(=O)c1c(N)scc1-c1ccc2OCOc2c1
COc1cccc(COC(=O)c2c(N)scc2-c2ccc(OC)c(OC)c2)c1
COc1ccc(cc1OC)-c1csc(N)c1C(=O)OC(C)C
CCOC(=O)c1c(N)scc1-c1ccc(cc1)N(C)C
CC(C)(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Cc1nc2cc(F)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:11.12,14.19,19.21,(52.97,-7.87,;51.79,-8.86,;50.3,-8.5,;49.48,-9.81,;47.96,-10.09,;47.45,-11.54,;45.93,-11.81,;48.44,-12.72,;49.96,-12.44,;50.49,-10.99,;51.9,-10.41,;53.24,-11.19,;53.18,-12.75,;54.49,-13.57,;55.85,-12.85,;55.91,-11.29,;54.59,-10.47,;57.18,-13.64,;58.52,-12.88,;58.54,-11.34,;57.29,-10.42,;57.78,-8.96,;57.03,-7.63,;57.8,-6.31,;59.35,-6.33,;60.1,-7.66,;59.32,-8.98,;59.78,-10.45,;60.13,-5.01,;60.91,-3.68,)|
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1 |r,wU:14.15,17.22,(36.22,-8.65,;37,-9.99,;37.77,-8.65,;38.46,-10.52,;35.83,-10.99,;34.33,-10.62,;33.52,-11.94,;32,-12.21,;31.48,-13.66,;29.97,-13.94,;32.47,-14.84,;33.99,-14.57,;34.52,-13.12,;35.94,-12.54,;37.28,-13.32,;37.22,-14.88,;38.53,-15.69,;39.89,-14.98,;39.94,-13.41,;38.62,-12.59,;41.22,-15.76,;42.56,-15.01,;42.57,-13.47,;41.33,-12.55,;41.82,-11.09,;41.07,-9.76,;41.84,-8.44,;43.38,-8.45,;44.16,-7.13,;44.13,-9.79,;43.35,-11.11,;43.82,-12.57,)|
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:14.15,17.22,22.24,(71.13,-8.4,;71.91,-9.74,;72.68,-8.4,;73.37,-10.27,;70.74,-10.74,;69.24,-10.38,;68.43,-11.69,;66.91,-11.96,;66.39,-13.41,;64.88,-13.69,;67.38,-14.59,;68.9,-14.32,;69.43,-12.87,;70.85,-12.29,;72.19,-13.07,;72.13,-14.63,;73.44,-15.44,;74.8,-14.73,;74.85,-13.16,;73.53,-12.34,;76.13,-15.51,;77.47,-14.76,;77.48,-13.22,;76.24,-12.3,;76.73,-10.84,;75.98,-9.51,;76.75,-8.19,;78.29,-8.2,;79.04,-9.54,;78.26,-10.86,;78.73,-12.32,;79.06,-6.88,;79.85,-5.55,)|
CCCN1C(=O)CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12
CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)Nc2ncccc32)CC1
CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(C)c2ncccc32)CC1
CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)N(C)c2ncccc32)CC1
CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)Nc2ncccc32)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CCO)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CC1)C(C)C
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(C)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCCN(C)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CCO)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)S(C)(=O)=O
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)C(=O)C1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(CCO)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1C[C@H](C)N[C@H](C)C1 |r|
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCS(=O)(=O)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1C1CCN(C)CC1
COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCC(CC1)N(C)C
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(=O)[C@@H](C)O |r|
COC1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O
COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
COCCN1CCN(CC1)c1cc2c(Nc3ccc(C)cc3F)c(nnc2cc1OC)C(N)=O
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(CC1)C(C)C
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(CCO)CC1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1
COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1
CN(C(=O)c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1
O[C@@]1(CN2CCC(CC2)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)ccc3ncc2=O |r|
Fc1cnc2ccc(=O)n3C[C@@H](CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23 |r|
Fc1cnc2ccc(=O)n3C[C@@](F)(CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23 |r|
O[C@@]1(CN2CCC(CC2)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3cc(F)c2=O |r|
CC1(C)N(CCn2c(Nc3ccc(Cl)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN
C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r|
Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cn(CC(=O)Nc2ccc(F)cc2F)c2ccccc12
Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12
COc1ccc(cc1)S(=O)(=O)NCCc1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12
COc1ccc(NC(=O)Cn2cc(CCNS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC2CCCC2)cc1
Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12
CCCCOc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
COc1ccc2n(CC(=O)Nc3ccc(Cl)cc3)cc(\C=N\NS(=O)(=O)c3ccc(C)cc3)c2c1
CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl
CCCCCCCN(CC)C\C=C\Cc1ccc(Cl)cc1
CCCCCCCN(CC)CC#CCc1ccc(C)cc1
CCCCN(CC)CC#CCOCc1ccc(Cl)cc1
CCCCCCCN(CC)CC#CCCc1ccc(Cl)cc1
CCCCCCCN(CC)CC#CCc1ccc(Cl)cc1
CCCCCCC[N+](CC)(CC)CC=CCc1ccc(Cl)cc1
CCCCN(CC)C\C=C\CCc1ccc(Cl)cc1
CCCCN(CC)C\C=C\Cc1ccc(Cl)cc1
CCCCN(CC)CC#CC#Cc1ccc(Cl)cc1
CCCCN(CC)CC#CCCc1ccc(Cl)cc1
CCCCN(CC)CC#CCc1ccc(Cl)cc1
CCCCCCCN(CC)CC#Cc1ccc(Cl)cc1
CCCCN(CC)CC#CCOc1ccc(Cl)cc1
CCCCCCCN(CC)CC#CCOC(c1ccccc1)c1ccccc1
CCCCN(CC)CC#CCOC(c1ccccc1)c1ccccc1
CCCCCCCN(CC)CC#CCOc1ccc(Cl)cc1
CCCCCCCN1CCC(CC1)C(=O)c1ccccc1
CCCCCCCN1CCC(Cc2ccccc2)CC1
CCCCN(CC)CCCCCc1ccc(Cl)cc1
CCCCCCCN(CC)CCCCc1ccccc1
CCCCCCCN(CC)C\C=C/Cc1ccccc1
CCCCCCCN(CC)C\C=C\c1ccc(Cl)cc1
CCCCN(CC)C\C=C\c1ccc(Cl)cc1
CCCCN(CC)CC#CCCc1ccc(C)cc1
CCCCCCCN(CC)CC#CCCc1ccccc1
CCCCCCCN(CC)CC#CCc1ccccc1
CCCCN(CC)CC#CCc1ccccc1
CCCCCCCN(CC)CC#CCCc1ccc(C)cc1
CCCCCCCN(CC)CC#CCOCc1ccc(Cl)cc1
CCCCCCCN(CC)C\C=C\CCc1ccc(Cl)cc1
CCCCN(CC)CC#CCc1ccc(C)cc1
CCCCCCCN(CC)CCCCCc1ccc(Cl)cc1
COC(=O)C(CCCN1CCC(CC1)c1ccccc1OC)(C(C)C)c1ccc(Br)cc1
COC(=O)C(CCCN1CCC(=CC1)c1ccccc1OC)(C(C)C)c1ccc(Br)cc1 |c:11|
COC(=O)C(CCC(=O)N1CCN(CC1)c1ccccc1OC)(C(C)C)c1ccc(Br)cc1
COc1ccccc1N1CCN(CCCC(C(C)C)(C(O)=O)c2ccc(Br)cc2)CC1
COC(=O)C(CCCN1CCN(CC1)c1ccccc1OC)(C(C)C)c1ccc(Br)cc1
COC(=O)C(CCC(=O)N(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccc(Br)cc1
CC(C)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(O)=O)c1ccc(Br)cc1
CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl
Fc1cccc(-c2nc3cnn(Cc4ccc(nc4)-c4ccc(cc4C(F)(F)F)C(F)(F)F)cc3n2)c1F
Fc1ccccc1-c1nc2ccn(Cc3cc(no3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1
Fc1cccc(-c2nc3cnn(Cc4cc(no4)-c4ccc(cc4C(F)(F)F)C(F)(F)F)cc3n2)c1F
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc2nonc2c1
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(OC(F)(F)F)cc1
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccccc1
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(OC)nc1
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)N1CCOCC1
CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC)c1ccccc1 |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(F)(F)F
CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(nc1)C(F)(F)F
Nc1ncc(nc1-c1ccc(nc1)C(F)(F)F)-c1ccncc1
CNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(nc1)C(F)(F)F
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(nc1)C(F)(F)F
Nc1ncc(nc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1)c1ccccc1 |r|
O=C(N1CCC2(C1)CCCN(C2)C1CCOCC1)N1CCCN(CC1)C1CCC1
CC(C)N1CCN(CC1)C(=O)N1CCC2(C1)CCN(CC2)C1CCOCC1
CC(C)S(=O)(=O)N1CCC2(CCN(C2)C(=O)N2CCCN(CC2)C2CCC2)CC1
O=C(N1CCC2(C1)CCN(CC2)C(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
O=C(N1CCC2(C1)CCCN(C2)S(=O)(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
O=C(C1CC2(C1)CCN(CC2)C(=O)c1ccccc1)N1CCN(CC1)C1CCC1
O=C(C1CC2(C1)CCN(CC2)c1ccccc1)N1CCN(CC1)C1CCC1
CC(C)N1CCN(CC1)C(=O)N1CCC2(C1)CCCN(C2)C1CCOCC1
CC(C)N1CCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C1CCOCC1
O=C(C1CC2(C1)CCN(CC2)C1CCOCC1)N1CCN2CCCCC2C1
CC(C)N1CCN(CC1)C(=O)[C@@H]1CC11CCN(CC1)C1CCOCC1 |r|
O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCC1
O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCC1
CS(=O)(=O)N1CCC2(CC(C2)C(=O)N2CCN(CC2)C2CCC2)CC1
O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCC1
CC(C)N1CCN(CC1)C(=O)C1CC11CCN(CC1)C1CCOCC1
O=C(C1CC11CCNCC1)N1CCN(CC1)C1CCCCC1
CC(C)N1CCCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C(=O)c1ccccc1
O=C(C1CC11CCN(CC1)C1CCCCC1)N1CCN(CC1)C1CCCCC1
O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CC1
O=C(N1CCC2(C1)CCN(CC2)S(=O)(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
O=C(C1CC2(C1)CCN(CC2)C1CCOCC1)N1CCN(CC1)C1CCC1
O=C(N1CCC2(C1)CCN(CC2)C(=O)c1ccccc1)N1CCN(CC1)C1CCC1
CC(C)N1CCN(CC1)C(=O)[C@H]1CC11CCN(CC1)C1CCOCC1 |r|
CN1[C@H](CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(c2)C#N)CCC1=O |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2ccccc2)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cc(F)ccc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC2(C)COC2)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2ccccn2)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](C)c2ccccc2N(CC(F)(F)F)C1=O |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CSc2ccccc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ncccc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cccnc2N(CC(F)(F)F)C1=O
[H][C@@]12CCCC[C@@]1([H])N(Cc1ccccc1)C(=O)C(CC2)n1cc(nn1)-c1ccc(c(OC)c1)-n1cnc(C)c1 |r|
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CCF)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC2CC2)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(ccc3ccccc23)N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(CC(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2ccncc2)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1(C)CCc2ccccc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)c(Br)ccc2N(CC(F)(F)F)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(C)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2N(Cc2cccnc2)C1=O
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2NC1=O
CC(C)(C)n1nnc2CC(CCc12)n1cnc(n1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1 |r,c:19|
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:10|
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19|
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccn1 |r,c:19|
COc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:15|
Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r|
[H][C@@]12CN(CCCOC)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc([nH]n1)C1(C)CC1 |r|
CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)ncn1
CC1(CC1)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)n[nH]1
C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cccc(c1)C(F)(F)F |r|
FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)c1
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)no1
FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)c1
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1
O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3ncnc4CNCc34)ccc12
C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C(C)(C)C |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCC3(CCOC3=O)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCC(CC2)S(=O)(=O)CC)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1nnc(CC)o1)C(=O)c1ccc(C[C@@H]2CC[C@@]([H])(N2)[C@H](O)c2ccccc2)cc1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1nnn(C)n1)C(=O)c1ccc(C[C@@H]2CC[C@@]([H])(N2)[C@H](O)c2ccccc2)cc1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1nnco1)C(=O)c1ccc(C[C@@H]2CC[C@@]([H])(N2)[C@H](O)c2ccccc2)cc1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)OCC)C(=O)c1ccc(C[C@@H]2CC[C@@]([H])(N2)[C@H](O)c2ccccc2)cc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)NCc2csc(N)n2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCC3(CC(C)(C)OC3=O)CC2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCC(CC2)C(=O)OCC)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]12CN(C[C@]1([H])[C@@H]2C(=O)OCC)C(=O)c1ccc(C[C@@H]2CC[C@@]([H])(N2)[C@H](O)c2ccccc2)cc1 |r|
CN(C)C(=O)c1cc(CN2CCOc3c(F)cccc23)c2oc(cc(=O)c2c1)N1CCOCC1
CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)sc3c2)ccn1
CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)sc3c2)ccn1
CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(Cl)c4)sc3c2)ccn1
CNC(=O)c1cc(Oc2ccc3nc(NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)sc3c2)ccn1
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
O=C(NCCN1CCNCC1)Nc1ncccc1OCc1ccccc1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1
Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Cc1cc(Cc2cc(on2)-c2ccc(Br)cc2)cc(C)c1OC(C)(C)C(O)=O
COC1CCN(Cc2cc(-c3ccc(cc3)C(C)C)n(n2)-c2ccc(F)cc2)CC1
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)nn1C1CCCCC1
CC(C)c1ccc(cc1)-c1cc(CN2CCN(CC2)c2ccccn2)nn1C1CCCCC1
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)nn1C1CCC1
C[Si]1(C)CCN(Cc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccc(F)cc2)CC1
C[Si]1(C)CCN(Cc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)C2CCCCC2)CC1
CC(C)c1ccc(cc1)-c1cc(CN2CC[Si](C)(C)CC2)nn1C1CCCCC1
CC(C)c1ccc(cc1)-c1cc(CN2CC[Si](C)(C)CC2)nn1-c1ccc(F)cc1
COC1CCN(Cc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccc(F)cc2)CC1
CC(C)c1ccc(cc1)-c1cc(CN2CCN(CC2)c2ccccn2)nn1-c1ccc(F)cc1
FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(cn4)N4CCNCC4)nc3cn2)c1
FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(cn4)N4CCOCC4)nc3cn2)c1
C[C@H]1CN(C[C@@H](C)N1)C(=O)c1ccnc(Nc2nc3cnc(Nc4ccc(F)c(c4)C(F)(F)F)cc3[nH]2)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccnc(Nc2nc3cnc(Nc4ccc(F)c(c4)C(F)(F)F)cc3[nH]2)c1 |r|
ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F
Cc1ncc(cn1)-c1ccc(cc1)C(C(=O)NO)c1ccccc1F
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn3c(cc4c(F)cccc34)c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2NCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c(cc4c(F)cccc34)c2n1)-c1ccc(F)cc1
COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1
CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N
Nc1n[nH]c(n1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCO1
CNC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC(O)=O
COCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
CS(=O)(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](O)C[C@@H]1Cc1ccc(Cl)cc1 |r|
CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@@H](O)C[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCO1
COC(C)(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
CC(C)(O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
C[C@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
CO[C@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)C1COC1
CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
CO[C@H]1CN([C@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
C[C@@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1 |r|
CC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
CNC(=O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
Nc1n[nH]c(n1)N1CCC(CC1)N(CCO)CCc1ccc(Cl)cc1
Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(NC(=O)C=C)cc1 |(12.65,-38.72,;11.4,-37.83,;9.94,-38.31,;9.03,-37.07,;9.93,-35.82,;9.6,-34.32,;10.73,-33.29,;12.2,-33.76,;13.34,-32.72,;12.53,-35.26,;11.39,-36.29,;9.47,-39.77,;10.38,-41.01,;9.48,-42.26,;8.02,-41.79,;8.01,-40.26,;6.68,-39.48,;6.68,-37.94,;5.35,-40.26,;5.35,-41.8,;6.68,-42.56,;6.68,-44.1,;11.92,-41,;12.69,-42.33,;14.23,-42.32,;15,-40.98,;16.54,-40.97,;17.3,-39.63,;16.52,-38.3,;18.84,-39.62,;19.6,-38.28,;14.21,-39.65,;12.67,-39.66,)|
Cc1c(oc2ccc(C)cc12)C(=O)CC#N
Cc1c(oc2ccc(Cl)cc12)C(=O)CC#N
Cc1c(oc2ccc(Br)cc12)C(=O)CC#N
Cc1c(oc2ccccc12)C(=O)CC#N
Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccccc1 |(12.55,-23.93,;11.29,-23.03,;9.83,-23.51,;8.92,-22.27,;9.82,-21.02,;9.49,-19.52,;10.62,-18.49,;12.1,-18.95,;13.24,-17.92,;12.42,-20.46,;11.28,-21.49,;9.36,-24.98,;10.27,-26.21,;9.37,-27.46,;7.91,-26.99,;7.9,-25.46,;6.57,-24.68,;6.57,-23.14,;5.24,-25.46,;5.24,-27,;6.57,-27.76,;6.57,-29.31,;11.81,-26.2,;12.59,-27.53,;14.13,-27.53,;14.89,-26.19,;14.1,-24.85,;12.57,-24.86,)|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1nc2c(c1-c1oc3ccc(C)cc3c1C)c(N)n[nH]c2=O |(69.23,-15.99,;67.69,-16.01,;66.93,-17.34,;66.91,-14.68,;65.37,-14.69,;64.59,-13.36,;63.05,-13.37,;62.29,-14.71,;62.27,-12.04,;60.73,-12.05,;59.96,-13.39,;58.43,-13.4,;57.65,-12.07,;58.41,-10.73,;59.94,-10.72,;56.11,-12.08,;55.22,-13.33,;53.76,-12.86,;53.75,-11.33,;55.2,-10.84,;55.67,-9.38,;54.76,-8.14,;55.66,-6.89,;55.33,-5.39,;56.46,-4.36,;57.94,-4.83,;59.08,-3.79,;58.26,-6.33,;57.12,-7.36,;57.14,-8.9,;58.39,-9.79,;52.42,-10.55,;52.42,-9.01,;51.09,-11.33,;51.09,-12.87,;52.42,-13.63,;52.42,-15.17,)|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1nc2c(c1-c1oc3ccc(Cl)cc3c1C)c(N)n[nH]c2=O |(69.7,-43.56,;68.16,-43.57,;67.4,-44.91,;67.38,-42.24,;65.84,-42.25,;65.06,-40.92,;63.52,-40.93,;62.76,-42.27,;62.75,-39.6,;61.21,-39.62,;60.44,-40.95,;58.9,-40.96,;58.13,-39.63,;58.88,-38.3,;60.42,-38.28,;56.59,-39.64,;55.7,-40.89,;54.23,-40.42,;54.23,-38.89,;55.68,-38.41,;56.15,-36.95,;55.24,-35.7,;56.14,-34.45,;55.81,-32.96,;56.94,-31.93,;58.41,-32.39,;59.55,-31.36,;58.74,-33.9,;57.6,-34.93,;57.61,-36.46,;58.86,-37.36,;52.9,-38.11,;52.9,-36.57,;51.57,-38.89,;51.57,-40.43,;52.9,-41.19,;52.9,-42.73,)|
COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
CC(C)C(=O)c1c(Nc2ccc(F)c(F)c2F)[nH]c2c(F)cc(F)cc2c1=O
CCC(C)c1ccc(OCCOc2ccc(Cl)cc2CNn2cnnc2)cc1
c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-]
CCCCCCCc1[nH]c2ccc(cc2c(=O)c1CO)[N+]([O-])=O
CN(C(=O)c1ccc2C(=O)OC(Cc2c1)c1ccc(Cl)cc1)c1ccc(C)c(C)c1
Clc1ccc(Oc2ccc(CNCCCn3cc(nn3)C(=O)N3CCOCC3)cc2)cc1
CCCCOc1cc(Cl)c(\N=N\c2c(O)ccc3ccccc23)c(OCCCC)c1
[O-][N+](=O)c1cccc(c1)C(=O)CCCC(=O)NC1CCCC1
[O-][N+](=O)c1cccc(c1)C(=O)NCCC(=O)Nc1nc(=O)[nH]cc1F
Fc1c[nH]c(=O)nc1NC(=O)CCCS(=O)(=O)c1ccccc1
CCCCOc1ccc(Cl)c(OCCCC)c1\N=N\c1c(O)ccc2ccccc12
O=C(CCCS(=O)(=O)c1ccccc1)NC1CCOC1=O
Cc1ccc(NC(=O)c2ccc3C(=O)OC(Cc3c2)c2ccc(Cl)cc2)cc1C
O=C(CCCS(=O)(=O)c1ccccc1)Nc1cc[nH]c(=O)n1
CCCCOc1cc(Cl)cc(OCCCC)c1\N=N\c1c(O)ccc2ccccc12
[O-][N+](=O)c1cccc(c1)C(=O)NCCC(=O)NC1CCOC1=O
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1CC2(CC2)OC1=O |r|
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1C[C@@H](C)SC1=O |r|
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1C[C@H](C)SC1=O |r|
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1C[C@H](COC)SC1=O |r|
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1CCSC1=O |r|
Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)[C@H](F)CC1 |r|
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2CC(OCC2C1)c1ccc2C(=O)OCc2c1
Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N |r|
Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C1CCNCC1
NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
c1cc(c(cc1O[C@H]2CN(C[C@]2(CN)O)S(=O)(=O)c3ccc(cn3)Cl)F)C#N
C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F
Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Fc1ccc(Oc2ncc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cn2)cc1 |r|
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C
Cc1cnc(Nc2ccnn2C)nc1-c1cn2CCN(Cc3ccc(F)c(F)c3)C(=O)c2n1
C[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
COC[C@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r|
c1ccc(cc1)CC(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl
Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
CC1=CC(=O)N(C(=C1)C2CCCCC2)O
[H][C@@]12CC[C@@]([H])(C1)[C@@H](C2)c1cc(C)cc(=O)n1O
Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1
CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3
CCN(CC)[N+](\[O-])=N\OCOC(=O)\C=C\c1ccc(OC(=O)OCN2C(=O)SC(Cc3ccc(OCCN(C)c4ccccn4)cc3)C2=O)c(OC)c1
Cc1nccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1 |r|
O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)N1CCC(CC1)c1ccccc1 |r|
Cn1ccc2ccnc(N([C@@H]3CCCNC3)C(=O)N3CCC(CC3)c3ccccc3)c12 |r|
Cc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1F |r|
O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)N1CCN(CC1)c1ccccc1 |r|
Cc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1cnn2cccnc12 |r|
Cc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1 |r|
Clc1cccnc1N([C@@H]1CCCNC1)C(=O)CCc1ccc(cc1)-n1nnc2cccnc12 |r|
Clc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1 |r|
Cc1ccc2c(noc2c1)N1CCN(CC1)C(=O)N([C@@H]1CCCNC1)c1nccc2ccccc12 |r|
Cc1cnc2n(nnc2c1)-c1ccc(CCC(=O)N([C@@H]2CCCNC2)c2ncccc2Cl)nc1 |r|
Oc1ccc(Cn2c(nc3ccccc23)-c2cscn2)c2cccnc12
Oc1ccc(Cn2cnc3cc(ccc23)[N+]([O-])=O)c2cccnc12
C[C@H]([C@H](N)c1cn2cc(ccc2n1)C(C)(C)C)C(N)=O |r|
CC(C)(C)c1ccc2[nH]c(nc2c1)C(C)(C)N
C[C@H]([C@H](N)c1nc2ccc(cc2[nH]1)C(C)(C)C)C(N)=O
Fc1cccnc1C=CS(=O)(=O)c1ccc(OCCCN2CCOCC2)cc1
CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
CS(=O)(=O)c1cc(ccn1)C1(CC1)NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1
Fc1ccc(cc1F)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O
Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1
OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3ccccn3)c2c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(n1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1
Cc1nnc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)o1
Cc1cc(ccc1F)-c1cnc2ccn(Cc3ncco3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC3CCOC3)c2c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(cc1)C(F)(F)F
FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccccc1C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)cs1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)c(Cl)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)c(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(C)s1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1
Cc1noc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)n1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cncc(c1)C(F)(F)F
FC(F)c1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccnc(c1)C(F)(F)F
FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1
Cc1cc(ccc1F)-c1cnc2ccn(CC3CCC3)c2c1
Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(CN)cc1
Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc2CNCc2c1
Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ncnc2CNCc12
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3(F)CCNCC3)c2n1
CN1CCC(CC1)Nc1cccc2ccc(nc12)-c1nnc2c3OCCN(C)c3cnn12
CN1CCC(CNc2cccc3ccc(nc23)-c2nnc3c4OCCN(C)c4cnn23)CC1
CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccc(Cl)c(NCC3(F)CCNCC3)c2n1
CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1
CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NCC3(F)CCNCC3)c2c1
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC3CCCCC3)c2c1
CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NC3CCCCC3)c2c1
COCCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC3CCCCC3)c2n1
Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)C(=O)CC#N
NC[C@H](Oc1noc2ccc(nc12)-c1ccccc1Cl)c1ccccc1 |r|
NC(=N)NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r|
NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1 |r,c:5|
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C
Nc1nc2cccc(-c3cccc(Cl)c3Cl)n2n1
Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 |r|
COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)ncn1 |r|
Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1F)-c1cc[nH]n1 |r|
Cc1cc([nH]n1)-c1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)Nc2cn(C)nc2C(N)=O)c(F)c1 |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C |r|
Cc1noc(C)c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 |r|
Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)c(n1)C(F)(F)F |r|
O=C(Nc1cnn2cccnc12)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 |r|
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C(N)=O |r|
Cc1cc(n[nH]1)-c1ccc2c(noc2c1)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C(N)=O |r|
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCCS1(=O)=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCOC1=O
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCNS1(=O)=O
COCCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F
Cc1ccc2n(c(CCN3C(=O)c4cccc5cccc(C3=O)c45)nc2c1)-c1ccncc1
c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl
[H][C@]12O[C@H](COC)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:14|
CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3|
[H][C@]12O[C@H](CO)[C@@H](OC)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:14|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)CC |r,c:13|
CCNC1=N[C@H]2[C@H](O[C@H](C)[C@@H](O)[C@@H]2O)S1 |r,t:3|
CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3|
[H][C@]12O[C@H](CO)C(F)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
[H][C@]12O[C@H](CO)C[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:12|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](OC)[C@@]1([H])N=C(NCC)S2 |r,t:14|
[H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCC)S2 |r,t:13|
[H][C@@]12C[C@H](CC(O)=O)CN1C(=O)[C@]1([H])Cc3c(n(C(=O)OC(C)(C)C)c4ccccc34)[C@@]2([H])N1C(=O)CC1CCC(F)(F)CC1 |r,THB:34:33:14.16.15:10.9.1|
CC1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ncccc1F
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ncccc1C(F)(F)F
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(F)c1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccnc1C(F)(F)F
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(c1)C(F)(F)F
CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3cccc(NC(C)=O)c3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1
C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ncccc1C(F)(F)F |r|
C[C@H]1OC2(CCN(CCc3cccc(NC(C)=O)c3)CC2)CN(C1=O)c1ccccc1 |r|
C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r|
CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
COCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
OCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
O=C1N(CC2(CCN(CCc3ccccc3)CC2)OC11CC1)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl
C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r|
O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1F
COC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1
CC1OC2(CCN(CCc3ccccn3)CC2)CN(C1=O)c1ccccc1
COc1cccc(c1)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccc1C(F)(F)F
CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(C1=O)c1ccccc1
C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1cnccc1C(F)(F)F |r|
Fc1ccccc1CCN1CCC2(CC1)CN(C(=O)C1(CC1)O2)c1cccnc1C(F)(F)F
CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
CCC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN1C(=O)C=C |r|
Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N
Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2sccc12
CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-n2cnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)no1
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
CO[C@@H](c1ccccc1)C(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4cccnn4
CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccccc1 |r|
[#6]-[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2nc(=O)c3cc(cc(-[#7+](-[#8-])=O)c3s2)C(F)(F)F)-[#6]-[#6]-1
[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F
[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2nc(=O)c3cc(cc(-[#7+](-[#8-])=O)c3s2)C(F)(F)F)-[#6]-[#6]-1
COc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1
COc1ncnc(Cn2cnc3c(cccc23)C(=O)NCCF)c1C
Fc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)c(F)c1
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r|
NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(c1)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F |r|
CNC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(c1)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F |r|
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NCC(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NCC(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)c(OC2CC2)c1)c1cc(F)cc(OC(F)(F)C(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F |r|
OC(CC(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F |r|
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
CC(C)NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(c1)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F |r|
CN(C)C(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(c1)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COCC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(F)(F)CC1
OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1
OC(CC1c2ccccc2-c2cncn12)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,18.24,(-2.83,-1.79,;-2.43,-.3,;-3.52,.78,;-5.01,.39,;-6.26,1.29,;-6.42,2.82,;-7.82,3.45,;-9.07,2.54,;-8.91,1.01,;-7.5,.39,;-7.03,-1.08,;-7.5,-2.54,;-6.26,-3.45,;-5.01,-2.54,;-5.49,-1.08,;-.95,.09,;.14,-1,;1.63,-.6,;2.03,.89,;.94,1.98,;-.55,1.58,;3.52,1.29,;4.61,.2,;4.21,-1.29,;6.09,.6,;7.18,-.49,;8.67,-.09,;9.07,1.4,;7.98,2.49,;6.49,2.09,)|
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1 |(2.62,3.33,;1.85,2,;.31,2,;-.46,.67,;-2,.51,;-2.32,-1,;-3.78,-1.48,;-4.93,-.45,;-4.61,1.06,;-3.14,1.54,;-2.74,3.02,;-.98,-1.77,;-.36,-3.18,;1.18,-3.02,;1.5,-1.51,;.16,-.74,;2.62,.67,;1.85,-.67,;2.62,-2,;4.16,-2,;4.93,-3.33,;4.93,-.67,;4.16,.67,)|
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wD:3.2,1.0,16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|
OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,wD:18.24,(-3.63,-2.93,;-2.86,-1.59,;-3.63,-.26,;-5.17,-.26,;-6.08,.99,;-5.76,2.49,;-6.9,3.52,;-8.37,3.05,;-8.69,1.54,;-7.54,.51,;-7.54,-1.03,;-8.45,-2.28,;-7.54,-3.52,;-6.08,-3.05,;-6.08,-1.51,;-1.32,-1.59,;-.55,-.26,;.99,-.26,;1.76,-1.59,;.99,-2.93,;-.55,-2.93,;3.3,-1.59,;4.07,-.26,;3.3,1.07,;5.61,-.26,;6.38,-1.59,;7.92,-1.59,;8.69,-.26,;7.92,1.07,;6.38,1.07,)|
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1
COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C
CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4
CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4
CC(O)(COc1cccc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
CC(O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F
CC(O)(COc1ccc(cc1)S(F)(F)(F)(F)F)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
COc1ccccc1-c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)nc(OC)c12 |r,wU:15.15,wD:18.22,(27.63,-17.54,;29.14,-17.85,;30.16,-16.7,;29.67,-15.24,;30.7,-14.08,;32.21,-14.4,;32.69,-15.86,;31.66,-17.01,;32.15,-18.46,;31.24,-19.72,;32.16,-20.97,;33.63,-20.48,;34.96,-21.25,;36.3,-20.48,;37.63,-21.25,;38.96,-20.48,;38.95,-18.94,;40.29,-18.17,;41.62,-18.95,;41.62,-20.49,;40.29,-21.25,;42.96,-18.18,;44.29,-18.95,;45.05,-20.28,;43.51,-20.27,;45.63,-18.18,;46.96,-18.96,;48.29,-18.19,;49.51,-17.49,;49.8,-18.76,;48.56,-16.6,;36.29,-18.93,;34.96,-18.17,;34.95,-16.63,;36.29,-15.86,;33.62,-18.94,)|
C[C@H]1CN(CCO1)c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)ncc12 |r,wU:14.14,1.0,wD:17.21,(8.54,-1.78,;7.51,-2.93,;7.99,-4.38,;6.97,-5.51,;5.47,-5.22,;4.99,-3.76,;6.01,-2.61,;7.45,-6.97,;6.55,-8.22,;7.46,-9.47,;8.93,-8.99,;10.27,-9.76,;11.6,-8.99,;12.94,-9.75,;14.27,-8.98,;14.25,-7.45,;15.59,-6.68,;16.93,-7.45,;16.92,-8.99,;15.59,-9.76,;18.26,-6.68,;19.59,-7.45,;20.35,-8.78,;18.82,-8.78,;20.93,-6.69,;22.26,-7.46,;23.6,-6.7,;24.82,-5.99,;25.11,-7.27,;23.86,-5.1,;11.6,-7.44,;10.26,-6.67,;8.93,-7.44,)|
COc1nc(N[C@H]2CC[C@@H](CC2)NS(=O)(=O)CCC(C)C)nc2[nH]nc(N3CCOC[C@H]3C)c12 |r,wU:6.5,wD:9.12,31.33,(12.05,-31.41,;10.72,-32.18,;10.72,-33.72,;12.06,-34.49,;12.06,-36.04,;13.4,-36.81,;14.73,-36.03,;14.71,-34.5,;16.05,-33.73,;17.39,-34.5,;17.38,-36.04,;16.05,-36.81,;18.72,-33.73,;20.05,-34.5,;20.81,-35.83,;19.28,-35.83,;21.39,-33.74,;22.72,-34.51,;24.06,-33.75,;25.39,-34.52,;24.06,-32.21,;10.72,-36.81,;9.39,-36.04,;7.92,-36.52,;7.01,-35.27,;7.91,-34.02,;7.43,-32.56,;8.45,-31.43,;7.97,-29.98,;6.47,-29.66,;5.45,-30.81,;5.93,-32.27,;4.91,-33.42,;9.38,-34.49,)|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2COCc12)C#N
C[C@H]1NC(=O)c2cc([nH]c12)-c1cccc2c1nc(NC1(C)CC1)n(c2=O)C1(C)CC1 |r|
O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
O=C(Nc1ccccc1)c1cn2cc(ccc2n1)-c1ccccn1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)CCn3cnc4ccccc34)c(F)cc2c1=O
Nc1ccn(CC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3nccn3)c(F)cc2c1=O
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)CCn3ccnc3)c(F)cc2c1=O
Cc1cn(CCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)cn1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)CCn3nccn3)c(F)cc2c1=O
Cc1nnn(CCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
Cc1nnnn1CCC(=O)NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1
Cc1nccn1CC(=O)NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1
Cc1cn(CC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)cn1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3cccn3)c(F)cc2c1=O
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3nnc4ccccc34)c(F)cc2c1=O
Cc1nnnn1CC(=O)NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)CSc3nc4ccccc4[nH]3)c(F)cc2c1=O
COc1ccc2[nH]c(SCC(=O)NC3CCN(C3)c3c(F)cc4c(c3Cl)n(cc(C(O)=O)c4=O)C3CC3)nc2c1
Nc1n[nH]c(SCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)CCn3cccn3)c(F)cc2c1=O
Nc1nnc(SCCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)s1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)CCn3ccnn3)c(F)cc2c1=O
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3cnnn3)c(F)cc2c1=O
Cc1cc(C)n(CCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
Nc1nnn(CC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
Cc1nccn1CCC(=O)NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)C1CC1
Nc1nnn(CCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3cnc4ccccc34)c(F)cc2c1=O
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3ccnn3)c(F)cc2c1=O
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3ncnn3)c(F)cc2c1=O
Nc1nnc(SCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)s1
Cn1nnc(SCC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)CCn3cncn3)c(F)cc2c1=O
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3ccnc3)c(F)cc2c1=O
Cc1cc(C)n(CC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
Cc1nnn(CC(=O)NC2CCN(C2)c2c(F)cc3c(c2Cl)n(cc(C(O)=O)c3=O)C2CC2)n1
OC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(C3)NC(=O)Cn3cncn3)c(F)cc2c1=O
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCOCC1
COCCN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCCO3)n([C@H]3CCCNC3)c2n1 |r|
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CNCCO3)n([C@H]3CCCNC3)c2n1 |r|
COCCC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
CC1(COC1)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
CC1(CC#Cc2c(Cl)c3c(Cl)cc(nc3n2[C@H]2CCCNC2)C(N)=O)COC1 |r|
CN1CC(CC1=O)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C#N |r|
CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C(N)=O |r|
COC(C)(C)CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
COCC(C)(C)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3COCCO3)n([C@H]3CCCNC3)c2n1 |r|
NC(=O)c1cc(Cl)c2c(Cl)c(C#CCN3CCCC3=O)n([C@H]3CCCNC3)c2n1 |r|
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1 |r|
FC(F)(F)c1cc(NCc2ccco2)n2c3cc(Cl)c(Cl)cc3nc2c1C#N
FC(F)(F)c1cc(NCc2cccs2)n2c3cc(Cl)c(Cl)cc3nc2c1C#N
Fc1ccccc1CNc1cc(c(C#N)c2nc3cc(Cl)c(Cl)cc3n12)C(F)(F)F
FC(F)(F)Oc1ccc(Nc2cc(c(C#N)c3nc4ccccc4n23)C(F)(F)F)cc1
Fc1cccc(CNc2cc(c(C#N)c3nc4cc(Cl)c(Cl)cc4n23)C(F)(F)F)c1
COc1cc(OC)c2nnc3n(C)nc(-c4cccnc4C)c3c2c1
COc1cc(F)cc2c3c(nn(C)c3nnc12)-c1ccncc1C
Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC23CC(C2)(CC3)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |(-.82,-6.28,;-2.15,-5.51,;-3.48,-6.28,;-4.82,-5.51,;-4.82,-3.97,;-3.48,-3.2,;-3.48,-1.66,;-4.82,-.89,;-4.82,.65,;-6.28,1.13,;-5.88,-.36,;-7.19,-.12,;-6.28,-1.37,;-6.68,2.61,;-5.59,3.7,;-4.1,3.3,;-5.99,5.19,;-4.9,6.28,;-2.15,-3.97,;-.82,-3.2,;.52,-3.97,;1.85,-3.2,;1.85,-1.66,;3.19,-.89,;4.52,-1.66,;4.52,-3.2,;5.85,-3.97,;7.19,-3.2,;7.19,-1.66,;5.85,-.89,;.52,-.89,;-.82,-1.66,)|
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Nc1ncnc(N[C@H]2CCC[C@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1 |r|
CCCCCOc1cccc(CCNCC(=O)N(C)C)c1
CN(C)C(=O)CNCCc1cccc(OCCCC(F)(F)CF)c1
CN(C)C(=O)CNCCc1cccc(OCCCC(C)(F)F)c1
CCCCOc1cccc(CCNCC(=O)N(C)C)c1
CN(C)C(=O)CNCCc1cccc(OCCCCC(F)(F)F)c1
CN(C)C(=O)CNCCc1cccc(OCCCC(F)(F)F)c1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c(C)n[nH]c1C
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2F)C#N)nc2sccc12
Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N
CCc1nc(C)cn2nc(cc12)-c1cc(=O)n2cc(cc(C)c2n1)C1CCN(C)CC1
Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
[O-][N+](=O)c1cc(cc2c1sc(cc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F
COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)-n1cnnn1
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccccc1
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(OC(F)F)cc1
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(C)(=O)=O
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)C#N
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)N1CCOC1=O
CC1(NC(=O)N(CC(=O)c2ncc(F)cc2F)C1=O)c1ccc(cc1)C#N
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(NS(C)(=O)=O)cc1
NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4
COc1cc2ncnc(N(C(=O)C=C)c3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2
CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
COc1cc(CNC(=O)c2ccc3nc(N)sc3c2)cc(OC)c1OC
COC(=O)C1CCN(CC1)C(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1
COc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2ccc3nc(N)sc3c2)cc1OC
COc1ccc2c(c1)sc(n2)N
Nc1nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2s1
c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N
CSc1ccc2nc(N)sc2c1
c1cc2c(cc1SC(F)(F)F)sc(n2)N
c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl
COC(=O)c1ccc(CSc2ccc3nc(N)sc3c2)cc1
c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N
Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccc(cc1)C#N
COC(=O)c1ccc(CS(=O)(=O)c2ccc3nc(N)sc3c2)cc1
COC(=O)C1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2ccc3nc(N)sc3c2)cc1
c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl
COC(=O)c1ccc(CNC(=O)c2ccc3nc(N)sc3c2)cc1
Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1[N+]([O-])=O
Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1N
COC(=O)C1CCN(CC1)C(=O)c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)C(=O)NCCc1c[nH]c2ccccc12
Nc1nc2ccc(cc2s1)C(=O)N(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1
Nc1nc2ccc(cc2s1)C(=O)N(CCO)Cc1ccccc1
Nc1nc2c(cc(O)c(O)c2s1)C(=O)N(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1
Nc1nc2c(cc(O)c(O)c2s1)C(=O)NCc1ccc(Cl)c(Cl)c1
c1cc2c(cc1OC(F)(F)F)sc(n2)N
COC(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1
Nc1nc2ccc(SCc3ccc(cc3)C#N)cc2s1
CS(=O)(=O)c1ccc2c(c1)sc(n2)N
Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1
COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N
Nc1nc2ccc(cc2s1)C(=O)NCCc1cccs1
Nc1nc2c(O)cc(cc2s1)C(=O)NCc1ccc(Cl)c(Cl)c1
Nc1nc2ccc(OCc3ccccc3)cc2s1
Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccccc1
Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(cc1)C#N
c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N
COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N
Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(cc1)C(=O)NCc1ccccc1
Nc1nc2c(cc(O)c(O)c2s1)C(=O)NCc1ccccc1
Nc1nc2ccc(SCc3ccccc3)cc2s1
Nc1nc2c(O)cc(cc2s1)C(=O)NCc1ccccc1
COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N |r|
COc1nc(ccc1-n1cnc(C)c1)-c1nc(Nc2cc(F)cc(c2)C(F)(F)F)n(C)n1
CNC(=O)c1c(oc2cc(N(c3cc4COB(O)c4c(Cl)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(c3ccc(B(O)O)c(Cl)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
Cc1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
C[C@H](NC(=O)[C@H]1CNC[C@@H]1c1ccc(nc1)C(F)(F)F)c1ccc(cc1)N(C)C |r|
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(F)c2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(Cl)c2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cnc(nc2)C(F)(F)F)cc1 |r|
C[C@H](NC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)N(C)C |r|
CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(nc2)C(F)(F)F)cc1 |r|
FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(nc1)N1CCOCC1
COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)N1CCC(CC1)O[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:24.27,wD:27.31,(2.14,-18.07,;3.48,-17.3,;4.81,-18.07,;4.81,-19.61,;6.14,-20.38,;7.48,-19.61,;8.95,-20.09,;9.86,-18.84,;8.95,-17.58,;7.48,-18.06,;6.14,-17.3,;11.39,-18.83,;12.16,-17.5,;13.69,-17.5,;14.47,-18.84,;13.7,-20.17,;12.16,-20.17,;16,-18.84,;16.76,-20.18,;18.29,-20.18,;19.07,-18.85,;18.3,-17.52,;16.76,-17.51,;20.61,-18.86,;21.37,-20.2,;22.91,-20.19,;23.67,-21.54,;22.89,-22.87,;23.65,-24.21,;22.87,-25.53,;23.62,-26.87,;21.33,-25.52,;21.35,-22.85,;20.59,-21.52,)|
CC(C)(COc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1)C(O)=O
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wD:7.10,4.3,(78.66,-47.58,;77.89,-46.25,;76.35,-46.24,;78.67,-44.91,;77.9,-43.58,;78.67,-42.25,;77.9,-40.91,;76.37,-40.92,;75.59,-42.25,;76.36,-43.57,;75.6,-39.59,;74.06,-39.59,;73.28,-38.25,;71.74,-38.26,;70.98,-39.59,;71.75,-40.92,;73.29,-40.92,;69.44,-39.59,;68.67,-38.25,;67.13,-38.25,;66.36,-39.58,;67.13,-40.92,;68.67,-40.92,;64.83,-39.58,;63.92,-38.33,;62.45,-38.81,;61.12,-38.04,;59.79,-38.82,;58.45,-38.05,;59.78,-40.36,;61.12,-41.13,;62.45,-40.35,;63.92,-40.83,)|
COc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@@H]2CC[C@H](CC(O)=O)CC2)nc1 |r,wD:22.24,25.28,(51.11,-19.76,;52.44,-18.99,;53.78,-19.76,;53.78,-21.31,;55.11,-22.08,;56.44,-21.3,;57.91,-21.78,;58.82,-20.53,;57.91,-19.28,;56.44,-19.75,;55.11,-18.99,;60.35,-20.53,;61.12,-19.2,;62.66,-19.19,;63.43,-20.53,;62.66,-21.87,;61.12,-21.86,;64.97,-20.53,;65.73,-19.2,;67.27,-19.2,;68.05,-20.54,;69.59,-20.53,;70.36,-21.87,;71.89,-21.85,;72.66,-23.19,;71.89,-24.53,;72.66,-25.86,;71.88,-27.19,;72.65,-28.53,;70.34,-27.19,;70.35,-24.52,;69.58,-23.19,;67.28,-21.87,;65.74,-21.87,)|
FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccccc1
FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1cccnc1
Oc1ccc(cn1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
Oc1ccc(cc1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
CN1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
OC(=O)C1(CNc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)CC1
OC(=O)C1CCCCC1Nc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1
CC1(C)CN(CCC1CC(O)=O)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1
OC(=O)C1CCC(CC1)Nc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |(53.38,-45.19,;51.84,-45.2,;51.06,-43.87,;51.08,-46.54,;51.85,-47.87,;51.09,-49.2,;49.56,-49.2,;48.77,-47.89,;49.54,-46.55,;48.8,-50.54,;47.26,-50.56,;46.47,-49.23,;44.94,-49.24,;44.18,-50.58,;44.96,-51.91,;46.5,-51.9,;42.65,-50.59,;41.87,-49.26,;40.33,-49.27,;39.57,-50.61,;40.35,-51.94,;41.89,-51.93,;38.04,-50.62,;37.12,-49.37,;35.66,-49.86,;34.32,-49.1,;32.99,-49.87,;31.66,-49.1,;32.99,-51.41,;34.33,-52.18,;35.67,-51.4,;37.14,-51.87,)|
OC(=O)CC1CCN(CC1)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)|
OC(=O)C1(COc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)CCC1
OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:6.9,wD:3.2,(43.88,-64.06,;44.65,-62.73,;46.19,-62.73,;43.87,-61.38,;44.64,-60.05,;43.87,-58.71,;42.34,-58.73,;41.57,-60.05,;42.33,-61.38,;41.57,-57.4,;40.03,-57.4,;39.25,-56.06,;37.71,-56.07,;36.95,-57.4,;37.72,-58.74,;39.26,-58.74,;35.41,-57.4,;34.63,-56.06,;33.1,-56.07,;32.33,-57.4,;33.1,-58.74,;34.64,-58.74,;30.79,-57.4,;29.89,-58.65,;28.42,-58.17,;27.09,-58.93,;25.76,-58.17,;25.76,-56.63,;24.43,-55.86,;27.09,-55.85,;28.42,-56.63,;29.89,-56.15,)|
OC(=O)C1CC1COc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1
OC(=O)C1(COc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)COC1
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wD:7.10,4.3,(51.56,-57.92,;50.79,-56.58,;49.25,-56.58,;51.56,-55.25,;50.79,-53.91,;51.57,-52.58,;50.8,-51.24,;49.26,-51.25,;48.49,-52.58,;49.25,-53.91,;48.49,-49.92,;46.95,-49.92,;46.17,-48.58,;44.64,-48.59,;43.87,-49.92,;44.64,-51.26,;46.18,-51.26,;42.34,-49.92,;41.56,-48.58,;40.02,-48.59,;39.26,-49.91,;40.03,-51.25,;41.56,-51.25,;37.72,-49.92,;36.82,-48.66,;35.35,-49.14,;34.01,-48.38,;32.68,-49.15,;31.35,-48.38,;32.68,-50.69,;31.34,-51.46,;34.01,-51.46,;35.34,-50.69,;36.81,-51.17,)|
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)cnc2[nH]1 |r,wD:7.10,4.3,(47.07,-14.03,;46.31,-12.69,;44.77,-12.69,;47.08,-11.36,;46.31,-10.02,;47.08,-8.69,;46.32,-7.35,;44.78,-7.36,;44.01,-8.69,;44.77,-10.02,;44.01,-6.03,;42.47,-6.03,;41.69,-4.69,;40.16,-4.7,;39.39,-6.03,;40.16,-7.37,;41.7,-7.37,;37.85,-6.03,;37.08,-4.69,;35.54,-4.69,;34.78,-6.02,;35.54,-7.36,;37.08,-7.36,;33.24,-6.02,;32.33,-4.77,;30.86,-5.25,;29.53,-4.49,;28.2,-5.26,;26.87,-4.49,;28.2,-6.8,;29.53,-7.57,;30.86,-6.8,;32.33,-7.27,)|
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C#N |r,wD:7.10,4.3,(71.52,-14.35,;70.76,-13.02,;69.22,-13.01,;71.53,-11.69,;70.76,-10.35,;71.53,-9.02,;70.76,-7.67,;69.23,-7.69,;68.45,-9.02,;69.22,-10.34,;68.46,-6.36,;66.92,-6.36,;66.14,-5.02,;64.6,-5.03,;63.84,-6.36,;64.61,-7.69,;66.15,-7.69,;62.3,-6.36,;61.53,-5.02,;59.99,-5.02,;59.22,-6.35,;59.99,-7.69,;61.53,-7.69,;57.69,-6.35,;56.78,-5.1,;55.31,-5.58,;53.98,-4.81,;52.65,-5.58,;52.64,-7.13,;53.98,-7.9,;55.31,-7.12,;56.78,-7.6,;51.32,-4.81,;49.98,-4.04,)|
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)|
Cc1ccc2[nH]c(nc2n1)-c1ccc(nc1)-c1ccc(O[C@@H]2CC[C@H](CC(O)=O)CC2)nc1 |r,wD:21.23,24.27,(4.56,-32.27,;5.89,-33.04,;5.89,-34.59,;7.22,-35.36,;8.56,-34.58,;10.03,-35.06,;10.94,-33.81,;10.03,-32.56,;8.56,-33.04,;7.22,-32.27,;12.47,-33.81,;13.23,-32.48,;14.77,-32.48,;15.55,-33.81,;14.77,-35.15,;13.24,-35.15,;17.08,-33.82,;17.85,-32.49,;19.38,-32.48,;20.16,-33.82,;21.7,-33.82,;22.47,-35.15,;24.01,-35.13,;24.78,-36.47,;24,-37.81,;24.77,-39.14,;24,-40.48,;24.77,-41.81,;22.46,-40.47,;22.46,-37.8,;21.7,-36.47,;19.39,-35.15,;17.85,-35.15,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wU:7.10,wD:4.3,(73.88,-44.52,;73.12,-43.18,;71.58,-43.17,;73.9,-41.85,;73.14,-40.51,;73.92,-39.18,;73.16,-37.84,;71.63,-37.85,;70.84,-39.17,;71.6,-40.5,;70.86,-36.51,;69.32,-36.5,;68.55,-37.83,;67.02,-37.82,;66.26,-36.49,;67.02,-35.16,;68.56,-35.17,;64.72,-36.49,;63.94,-35.15,;62.41,-35.15,;61.64,-36.48,;62.41,-37.82,;63.95,-37.82,;60.11,-36.48,;59.2,-35.23,;57.73,-35.71,;56.39,-34.95,;55.07,-35.72,;53.73,-34.95,;55.06,-37.26,;56.4,-38.03,;57.73,-37.25,;59.2,-37.73,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:7.10,wD:4.3,(48.64,-55.71,;47.89,-54.37,;46.35,-54.36,;48.67,-53.04,;47.91,-51.7,;48.69,-50.37,;47.93,-49.03,;46.39,-49.04,;45.61,-50.36,;46.37,-51.69,;45.63,-47.7,;44.09,-47.69,;43.31,-49.02,;41.78,-49.01,;41.02,-47.68,;41.78,-46.35,;43.32,-46.36,;39.49,-47.68,;38.71,-46.34,;37.18,-46.34,;36.41,-47.67,;37.18,-49.01,;38.72,-49.01,;34.88,-47.67,;33.97,-46.42,;32.5,-46.9,;31.16,-46.14,;29.83,-46.91,;28.5,-46.14,;29.83,-48.45,;28.5,-49.22,;31.16,-49.22,;32.5,-48.44,;33.97,-48.92,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cccc2[nH]1 |r,wU:7.10,wD:4.3,(75.44,-57.01,;74.68,-55.67,;73.14,-55.65,;75.46,-54.34,;74.71,-53,;75.49,-51.67,;74.72,-50.32,;73.19,-50.33,;72.41,-51.65,;73.16,-52.98,;72.43,-48.99,;70.89,-48.99,;70.11,-50.31,;68.58,-50.31,;67.82,-48.97,;68.58,-47.64,;70.12,-47.65,;66.29,-48.97,;65.51,-47.63,;63.97,-47.64,;63.21,-48.97,;63.97,-50.3,;65.51,-50.3,;61.67,-48.97,;60.77,-47.72,;59.29,-48.19,;57.96,-47.43,;57.95,-45.89,;56.63,-48.2,;56.63,-49.74,;57.96,-50.52,;59.29,-49.74,;60.76,-50.22,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C#N |r,wU:7.10,wD:4.3,(72.91,-13.35,;72.15,-12.01,;70.61,-11.99,;72.93,-10.68,;72.17,-9.34,;72.95,-8.01,;72.19,-6.67,;70.65,-6.67,;69.87,-7.99,;70.63,-9.33,;69.89,-5.34,;68.35,-5.33,;67.57,-6.65,;66.04,-6.65,;65.29,-5.31,;66.04,-3.99,;67.59,-3.99,;63.75,-5.31,;62.97,-3.97,;61.44,-3.98,;60.67,-5.31,;61.44,-6.64,;62.98,-6.65,;59.14,-5.31,;58.23,-4.06,;56.76,-4.53,;55.42,-3.77,;54.09,-4.54,;54.09,-6.09,;55.43,-6.86,;56.76,-6.08,;58.23,-6.56,;52.76,-3.77,;51.43,-3,)|
CN1CCN(CC1)c1ccc(cn1)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
OC(=O)C1(COc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)CC1
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 |r,wD:7.10,4.3,(24,-13.44,;23.23,-12.11,;21.69,-12.1,;24,-10.77,;23.24,-9.44,;24.01,-8.1,;23.24,-6.76,;21.71,-6.78,;20.93,-8.11,;21.7,-9.43,;20.93,-5.45,;19.39,-5.45,;18.62,-4.11,;17.08,-4.12,;16.31,-5.45,;17.08,-6.78,;18.62,-6.78,;14.78,-5.45,;14,-4.11,;12.47,-4.11,;11.7,-5.44,;12.47,-6.78,;14.01,-6.78,;10.17,-5.44,;9.26,-4.19,;7.79,-4.67,;6.45,-3.9,;5.12,-4.67,;3.79,-3.9,;5.12,-6.22,;6.45,-6.99,;7.79,-6.21,;9.26,-6.69,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cc(F)cc2[nH]1 |r,wU:7.10,wD:4.3,(22.62,-56.01,;21.86,-54.67,;20.32,-54.66,;22.64,-53.34,;21.88,-52,;22.66,-50.67,;21.9,-49.33,;20.37,-49.33,;19.59,-50.65,;20.34,-51.99,;19.61,-48,;18.07,-47.99,;17.29,-49.32,;15.76,-49.31,;15,-47.98,;15.76,-46.65,;17.3,-46.65,;13.46,-47.97,;12.69,-46.64,;11.15,-46.64,;10.39,-47.97,;11.15,-49.31,;12.69,-49.31,;8.85,-47.97,;7.94,-46.72,;6.47,-47.19,;5.14,-46.43,;5.13,-44.89,;3.81,-47.2,;3.81,-48.75,;2.47,-49.52,;5.14,-49.52,;6.47,-48.74,;7.94,-49.22,)|
FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(nc1)C#N
OC(=O)C1CC(C1)Nc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |(52.65,-10.72,;53.41,-9.38,;54.95,-9.36,;52.63,-8.05,;51.14,-7.66,;51.53,-6.17,;53.02,-6.56,;50.75,-4.85,;49.21,-4.86,;48.42,-3.53,;46.89,-3.55,;46.13,-4.88,;46.91,-6.21,;48.45,-6.2,;44.6,-4.89,;43.81,-3.56,;42.28,-3.58,;41.52,-4.91,;42.3,-6.24,;43.84,-6.23,;39.98,-4.92,;39.07,-3.68,;37.61,-4.16,;36.27,-3.4,;34.94,-4.17,;33.61,-3.4,;34.94,-5.71,;36.27,-6.48,;37.61,-5.7,;39.08,-6.17,)|
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2c(F)cc(F)cc2[nH]1 |r,wD:7.10,4.3,(77.9,-58.59,;77.14,-57.26,;75.6,-57.25,;77.91,-55.92,;77.14,-54.59,;77.91,-53.25,;77.15,-51.91,;75.61,-51.93,;74.84,-53.25,;75.6,-54.58,;74.84,-50.59,;73.3,-50.6,;72.52,-49.26,;70.99,-49.27,;70.22,-50.59,;70.99,-51.93,;72.53,-51.93,;68.68,-50.59,;67.91,-49.25,;66.37,-49.26,;65.61,-50.59,;66.37,-51.93,;67.91,-51.93,;64.07,-50.59,;63.16,-49.34,;61.69,-49.81,;60.36,-49.05,;60.35,-47.51,;59.03,-49.82,;59.03,-51.37,;57.69,-52.14,;60.36,-52.14,;61.69,-51.36,;63.16,-51.84,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:7.10,wD:4.3,(22.74,-13.34,;21.99,-12,;20.45,-11.99,;22.77,-10.67,;22.01,-9.33,;22.79,-8,;22.03,-6.66,;20.49,-6.66,;19.71,-7.98,;20.47,-9.32,;19.73,-5.33,;18.19,-5.32,;17.41,-6.65,;15.88,-6.64,;15.13,-5.31,;15.88,-3.98,;17.42,-3.99,;13.59,-5.31,;12.81,-3.97,;11.28,-3.97,;10.51,-5.3,;11.28,-6.64,;12.82,-6.64,;8.98,-5.3,;8.07,-4.05,;6.6,-4.53,;5.26,-3.76,;3.93,-4.53,;3.93,-6.08,;5.26,-6.85,;6.6,-6.07,;8.07,-6.55,)|
FC(F)(F)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(cc1)C#N
CC1(CCN(CC1)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1)C(O)=O
CC1(CCCN(C1)c1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1)C(O)=O
OC(=O)c1ccc(Oc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)cc1
OC(=O)C1CC(C1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |(75.16,-35.1,;75.92,-33.76,;77.46,-33.75,;75.14,-32.44,;73.65,-32.05,;74.03,-30.56,;75.52,-30.95,;73.25,-29.23,;71.71,-29.25,;70.92,-27.92,;69.38,-27.94,;68.62,-29.27,;69.41,-30.6,;70.95,-30.59,;67.09,-29.29,;66.31,-27.95,;64.77,-27.97,;64.01,-29.3,;64.79,-30.63,;66.33,-30.62,;62.47,-29.31,;61.56,-28.07,;60.09,-28.55,;58.75,-27.79,;57.42,-28.56,;56.09,-27.79,;57.42,-30.1,;58.76,-30.88,;60.1,-30.1,;61.57,-30.56,)|
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(24.82,-57.8,;24.05,-56.46,;22.51,-56.46,;24.82,-55.13,;24.05,-53.8,;24.83,-52.46,;24.06,-51.12,;22.52,-51.14,;21.75,-52.46,;22.51,-53.79,;21.75,-49.8,;20.21,-49.81,;19.43,-48.47,;17.9,-48.47,;17.13,-49.8,;17.9,-51.14,;19.44,-51.14,;15.6,-49.8,;14.82,-48.46,;13.28,-48.47,;12.52,-49.8,;13.28,-51.13,;14.82,-51.14,;10.98,-49.8,;10.08,-48.55,;8.6,-49.02,;7.27,-48.26,;5.94,-49.03,;5.94,-50.58,;7.27,-51.35,;8.6,-50.57,;10.07,-51.05,;4.61,-48.26,;4.61,-46.72,;3.27,-49.03,;3.27,-47.49,)|
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wD:7.10,4.3,(24.54,-28.12,;23.77,-26.78,;22.23,-26.78,;24.54,-25.45,;23.77,-24.12,;24.55,-22.78,;23.78,-21.44,;22.24,-21.46,;21.47,-22.78,;22.23,-24.11,;21.47,-20.12,;19.93,-20.13,;19.15,-18.79,;17.62,-18.79,;16.85,-20.12,;17.62,-21.46,;19.16,-21.46,;15.32,-20.12,;14.54,-18.78,;13,-18.79,;12.24,-20.12,;13,-21.45,;14.54,-21.46,;10.7,-20.12,;9.8,-18.87,;8.32,-19.34,;6.99,-18.58,;5.66,-19.35,;5.66,-20.9,;6.99,-21.67,;8.32,-20.89,;9.79,-21.37,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)|
OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.73,-14.68,;47.97,-13.34,;46.43,-13.32,;48.76,-12.01,;48,-10.67,;48.78,-9.34,;48.02,-8,;46.48,-8,;45.7,-9.32,;46.46,-10.66,;45.72,-6.67,;44.18,-6.66,;43.4,-7.98,;41.87,-7.98,;41.11,-6.64,;41.87,-5.32,;43.41,-5.32,;39.58,-6.64,;38.8,-5.3,;37.26,-5.31,;36.5,-6.64,;37.26,-7.97,;38.8,-7.98,;34.96,-6.64,;34.06,-5.39,;32.59,-5.86,;31.25,-5.1,;29.92,-5.87,;29.92,-7.42,;31.25,-8.19,;32.58,-7.41,;34.05,-7.89,;28.59,-5.1,;28.59,-3.56,;27.25,-5.87,;27.25,-4.33,)|
OC(=O)c1ccc(CNc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc(OC)c(NS(C)(=O)=O)c2)cc1
CCCN(CC)[C@@H]([C@H](N(CC)CCC)c1ccccn1)c1ccccn1 |r|
CCCN(CCC)[C@@H]([C@H](N(CCC)CCC)c1ccccn1)c1ccccn1 |r|
C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccn1)c1ccccn1 |r|
CCCN(CCC)[C@@H]([C@H](N(CCC)C[C@H](O)CO)c1ccccn1)c1ccccn1 |r|
CC(C)c1cc(on1)C(=O)NC[C@H]1CCN(CCc2ccc(Cl)c(F)c2)C1 |r|
CC(C)c1cc(on1)C(=O)NC[C@H]1CCN(CCc2ccc(OC(F)(F)F)c(F)c2)C1 |r|
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)NC[C@H]1CCN(CCc2ccc(cc2)C(F)(F)F)C1 |r,c:4,9|
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)NC[C@H]1CCN(CCc2ccc(Cl)c(Cl)c2)C1 |r,c:4,9|
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)NC[C@H]1CCN(CCc2ccc(OC(F)(F)F)c(F)c2)C1 |r,c:4,9|
CC(C)c1cc(on1)C(=O)NC[C@H]1CCN(CCc2ccc(cc2)C(F)(F)F)C1 |r|
CC(C)c1cc(on1)C(=O)NC[C@H]1CCN(CCc2ccc(C)c(c2)C(F)(F)F)C1 |r|
CC(C)c1cc(on1)C(=O)NC[C@H]1CCN(CCc2ccc(Cl)c(Cl)c2)C1 |r|
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)NC[C@H]1CCN(CCc2ccc(Cl)c(F)c2)C1 |r,c:4,9|
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)NC[C@H]1CCN(CCc2ccc(C)c(c2)C(F)(F)F)C1 |r,c:4,9|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r|
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r|
C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 |r|
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 |r|
CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1 |r|
FC(CCN1CCc2ccccc2CC1)Cc1ccccc1
COc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N(C)C
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
OC(=O)Cc1ccc(Cc2cc(nc(c2)C(F)(F)F)-c2cccc(Cl)c2)cc1
Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC
NCC1(COC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
Cc1cc(cc(c1)C1(CN)CCC1)-c1ccnc2[nH]nc(c12)C(F)(F)F
NCC1(CCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F
NCC1(CCOCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F
[H][C@@]12[C@@H](CC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC[C@@H]4C)cc3CC[C@@]21[H])C(=O)N1CCCC1 |r|
[H][C@@]12CC[C@H](N3CCCC3)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCCC4)cc3CC[C@@]21[H] |r|
[H][C@@]12[C@H](CC[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC[C@H]4C)cc3CC[C@@]21[H])C(=O)NCC |r|
[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC[C@H]4C)cc3CC[C@@]21[H])C(=O)NCC |r|
[H][C@@]12[C@H](CC[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC[C@H]4C)cc3CC[C@@]21[H])C(=O)NCC1CC1 |r|
[H][C@@]12[C@H](C[C@H](OC)[C@@]1(C)CC[C@]1([H])c3ccc(OCCCN4CCC[C@H]4C)cc3CC[C@@]21[H])C(=O)NCC |r|
c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl
Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)S(C)(=O)=O
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
Cn1cc(cn1)-c1cc(F)cc(c1)S(=O)(=O)c1cnc(CN)s1
CCc1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)-c1cnn(C)c1
NCc1ncc(s1)S(=O)(=O)c1ccc2ccccc2c1
CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1cnn(C)c1
Cc1cc2nccn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:20.21,23.26,wD:23.25,(3.5,1.28,;3.5,2.82,;4.83,3.59,;4.83,5.13,;5.97,6.16,;5.35,7.57,;3.82,7.41,;3.5,5.9,;2.16,5.13,;2.16,3.59,;.83,2.82,;-.51,3.59,;-1.84,2.82,;-3.17,3.59,;-3.17,5.13,;-4.32,6.16,;-5.8,5.76,;-3.69,7.57,;-4.46,8.9,;-2.16,7.41,;-1.07,8.5,;-1.47,9.99,;-.38,11.07,;1.11,10.68,;1.11,12.22,;2.59,11.07,;1.51,9.19,;.42,8.1,;-1.84,5.9,;-.51,5.13,)|
Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5
[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6] |c:24|
[O-][S@@+](\C=C\CCN=C=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3
COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r|
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2F)ncc1C |r|
COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r|
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O
CC1(NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O)c1ccc(cc1)S(N)(=O)=O
CC1(NC(=O)N(CC(=O)c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(cc1)S(N)(=O)=O
CC1(NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O)c1ccc(cc1)S(N)(=O)=O
CC1(NC(=O)N(CC(=O)C2CCCCC2)C1=O)c1ccc(cc1)S(N)(=O)=O
CC1(NC(=O)N(CC(=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O
CC1(NC(=O)N(CC(=O)c2ncc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r|
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O
Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O
Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(c1)C1CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12
COc1ccc(N\N=C\c2ccc(cc2)-c2ccc(\C=N\Nc3ccc(OC)cc3)cc2)cc1
C\C(=N/Nc1ccc(F)cc1)c1ccc(cc1)-c1ccc(cc1)C(\C)=N\Nc1ccc(F)cc1
NC(=N)N\N=C\c1ccc(cc1)-c1cccc(\C=N\NC(N)=N)c1
COc1ccc(N\N=C\c2ccc(cc2)-c2cccc(\C=N\Nc3ccc(OC)cc3)c2)cc1
Fc1ccc(N\N=C\c2ccc(cc2)-c2cccc(\C=N\Nc3ccc(F)cc3)c2)cc1
CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](F)(Br)[C@H]1O)Oc1ccccc1 |r|
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](F)(Br)[C@H]1O)Oc1ccccc1 |r|
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)c1ccc(cc1)N1CCNCC1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C)c3Cl)c(=O)n2C)[C@@H]1N |r|
Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)CC1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)[nH]2)[C@@H]1N |r|
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@H]1F |r|
C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(N)c(Sc2cccnc2C(F)(F)F)c(=O)n1C |r|
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(COC[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(N)nc4C)c3c(=O)n2C)[C@@H]1N |r|
CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(N)CC1
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(Sc4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccncc4)c3c(=O)n2C)[C@@H]1N |r|
CNC(=O)c1cnc(Nc2ccc(C)nn2)cc1Nc1ccccc1S(C)(=O)=O
CNC(=O)c1cnc(Nc2cc(C)ccn2)cc1Nc1ccccc1S(C)(=O)=O
CNC(=O)c1cnc(Nc2ccc(cn2)N2CCOCC2)cc1Nc1ccccc1S(C)(=O)=O
CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
CNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O
CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3
CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C
CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
OC(CNc1nccc(n1)-c1sc(nc1-c1ccc(F)cc1)C1CCNCC1)c1ccncc1
Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1
CN1CCC(CC1)c1nc(c(s1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)c(NS(C)(=O)=O)c1
Cc1cc(Nc2nccc(n2)-c2sc(nc2C2CC2)C2CCNCC2)ccn1
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccncn2)n1)C1CCNCC1
Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc(C)n1
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(NCc2ccncc2)n1)C1CCNCC1
CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc1
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCCC1
CC(=O)Nc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1
CN1CCC(CC1)C(=O)Nc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCOCC1
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2nncs2)n1)C1CCNCC1
Nc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1
CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCN3C[C@H](O)[C@H](O)C3)ccn2)cc1 |r|
CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCN3C[C@@H](O)[C@H](O)C3)ccn2)cc1 |r|
CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCN3CCNC(=O)C3)ccn2)cc1
O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(C)c3)c2cn1)c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r|
Cc1c2COC(=O)c2ccc1CCN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1
Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CC(CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Cc1c2COC(=O)c2ccc1CCN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)n1cc(nn1)C1CC1 |r|
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)N1CCc2c(C1)cccc2OCCc1ccccc1 |r|
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)N1CCc2c(C1)cccc2OCCC1CC1 |r|
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)N1CCc2ccccc2C1 |r|
COc1cc(ccc1CN)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccccc1)n1cc(nn1)C1CC1 |r|
c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6
COc1cc(ccc1CN)C(=O)N1C[C@H](C[C@H]1C(=O)N1CC[C@@H](C1)c1ccccc1)n1cc(nn1)C1CC1 |r|
COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)N1CCc2c(C1)ncnc2OCCc1ccccc1 |r|
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)N1CCc2c(C1)cccc2OCCOC |r|
COc1cc(ccc1CN)C(=O)N1C[C@H](C[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)n1cc(nn1)C1CC1 |r|
CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccc(CN)c(OC)c1)N1CCc2c(C1)cccc2OC |r|
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)N1CC(CN)C1
CN1CCCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)C1
Cn1cc(NC(=O)c2cncc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4
CN(C)[C@H]1CN(C[C@@H]1O)C(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1 |r|
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(N)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(n2)-c2ccc(nc2)C2CC2)c(n1)C(N)=O
Cn1cc(NC(=O)c2cccc(c2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
Cn1cc(NC(=O)c2ccnc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(N)=O
CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)(C)C
FC(F)(F)c1ccc(cc1Cl)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
CS(=O)(=O)NC(=O)c1ccc2c(nccc2c1)-c1ccc(c(Cl)c1)C(F)(F)F
CS(=O)(=O)NC(=O)c1cc(F)c(Oc2ccc(Cl)c(Cl)c2)cc1F
CS(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F
CS(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(Cl)c(Cl)c1
CS(=O)(=O)NC(=O)c1cc(F)c(cc1F)-c1ccc(Cl)c(Cl)c1
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
CS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(Cl)c(c3)C(F)(F)F)nccc2c1
CC(C)COc1ncc(Oc2nccc3cc(ccc23)C(=O)NS(C)(=O)=O)cc1Cl
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O
NC(=O)c1cnc(Nc2cnccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1
Cc1cnc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)cn1
NC(=O)c1cnc(Nc2ccncn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
NC(=O)c1cnc(Nc2ccccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
Cc1nc2cc(Nc3cc(NC4CCN(CC4)c4ccc(cn4)C#N)c(cn3)C(N)=O)ccc2o1
Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cc3)C#N)c(cn2)C(N)=O)n1
Cc1cncc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1
Cc1nccc(Nc2cc(N[C@@H]3CCN(C[C@@H]3F)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 |r|
CC(NC(=O)c1ccc(cc1Cl)C(F)(F)F)C1(CCC(F)(F)CC1)N1CCN(CC1)S(=O)(=O)c1cn(C)nn1
COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r|
CN1CCN(CC1)C(=O)c1cccc(c1)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1
COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1
COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1
CC(C)Cc1cc(CNC(=O)C2C3CN(CCC(C)(C)C)CC23)nn1-c1ccccc1
CC(C)Cc1cc(CNC(=O)C2C3CN(CC23)C(=O)c2ccccc2)nn1-c1ccccc1
CC(C)Cc1cc(nn1-c1ccccc1)C(=O)NCC1C2CN(CCC(C)(C)C)CC12
CC(C)Cc1cc(CNC(=O)C2C3CN(CC23)C(=O)Cc2ccccc2)nn1-c1ccccc1
CC(C)Cc1cc(CNC(=O)C2C3CN(Cc4ccccc4)CC23)nn1-c1ccccc1
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncs1)c1ccccn1
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1ccncc1)c1ccccn1
Cn1cncc1-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
FC(F)(F)c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
N#Cc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
COc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Cc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CN(C)c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
Cc1noc(C)c1-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1
CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
CN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CNC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C)C2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)C)c2ncnc(N)c12
CN1CCC(Cn2nc(-c3ccc4cc(OC5CCC5)ccc4c3)c3c(N)ncnc23)CC1
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
CC(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC1(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1
CC1(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1
CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)O)c2ncnc(N)c12
CC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(O)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
CN1CCC(Cn2nc(-c3ccc4cc(OCC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4nc(OCC(F)(F)F)ccc4c3)c3c(N)ncnc23)CC1
CC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12
Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12
c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1
CN1[C@H](CCc2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Clc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1
COc1ccccc1CCN1CCN(CCc2ccccc2)CC1
COc1ccccc1CCN1CCN(CCc2ccccc2OC)CC1
CCNC(=O)Nc1ccc(cc1)-c1nc2c(CS(=O)(=O)C2(C)C)c(n1)N1CCOC[C@@H]1C |r|
Cc1ccc(cc1)-c1cc2nc[nH]c(=O)c2c(NC[C@H]2CCCNC2)n1 |r|
Cn1cc(cn1)-c1cc2nccnc2c(NCC2CNCC(F)(F)C2)n1
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NCC2CNCC(F)(F)C2)n1
Cc1ccc(cc1)-c1cc2ncn(C)c(=O)c2c(NC[C@H]2CCCNC2)n1 |r|
Cc1ccc(s1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NCCCCO)n1
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CNCCO2)n1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CNCCN2C)n1 |r|
Cc1ccc(cc1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(OC[C@@H]2CCCNC2)n1 |r|
O=C1CN(CCN1)c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
Cc1ccc(o1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
Cn1cc(cn1)-c1cc2nccnc2c(OC[C@H]2CCCNC2)n1 |r|
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r|
Cn1cc(cn1)-c1cc2nccnc2c(OCC2CNCC(F)(F)C2)n1
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NCCC(N)=O)n1
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCN2C)n1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(CCC2CCCNC2)n1
C(Nc1nc(cc2nccnc12)-c1cc[nH]n1)[C@H]1CCCNC1 |r|
CN1CCNC[C@H]1CNc1nc(cc2nccnc12)-c1cnn(C)c1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NCC(F)(F)F)n1
Cc1ccc(cc1)-c1cc2ncncc2c(NC[C@H]2CCCNC2)n1 |r|
CN1CCNC[C@H]1COc1nc(cc2nccnc12)-c1cnn(C)c1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NCCCCN)n1
Cc1ccc(cc1)-c1cc2nccnc2c(NCCCCN)n1
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CNCCC2(F)F)n1 |r|
CN(C)c1ccc(cn1)-c1cc(NC[C@H]2CCCNC2)c2cccnc2c1 |r|
C(Nc1nc(cc2nccnc12)N1CCNCC1)[C@H]1CCCNC1 |r|
C(Nc1nc(cc2nccnc12)-c1cn[nH]c1)[C@H]1CCCNC1 |r|
Cn1cc(cn1)-c1cc2nccnc2c(OCC2CNCCC2(F)F)n1
CN(C)c1ccc(cn1)-c1cc2nccnc2c(OC[C@H]2CCCNC2)n1
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r|
C[C@@H]1CCCN1[C@H]1C[C@@H](C1)c1ccc(cc1)-c1ccc(cc1)C#N |r,wU:8.11,1.0,wD:6.6,(34.83,-7.94,;35.15,-9.44,;34.11,-10.59,;34.88,-11.92,;36.39,-11.6,;36.55,-10.07,;37.88,-9.3,;39.37,-9.7,;39.77,-8.21,;38.28,-7.81,;41.1,-7.45,;41.1,-5.9,;42.43,-5.13,;43.77,-5.9,;43.77,-7.45,;42.43,-8.22,;45.09,-5.12,;46.43,-5.89,;47.76,-5.12,;47.75,-3.58,;46.41,-2.81,;45.08,-3.59,;49.08,-2.8,;50.41,-2.03,)|
Clc1ccc(CCCOCCCN2CCCCC2)cc1
C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1
[H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1
COc1ccc2c(c1)oc(c(O)c2=O)-c1ccc2OCOc2c1
NC(=O)c1cnc2ccc(c(F)c2c1NC1CCOCC1)-c1cccnc1
COCc1ccc(c(F)n1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
NC(=O)c1cnc2ccc(cc2c1NC1CCCC1)-c1cccnc1
CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnn1)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)-c1cncnc1)C(N)=O
CCC(CC)CNc1c(C(N)=O)c(C)nc2ccc(cc12)-c1cccnc1
COCc1ccc(cn1)-c1cc2c(N[C@@H](C)C3CCOCC3)c(cnc2cc1F)C(N)=O |r|
CCC(CC)COc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O
NC(=O)c1cnc2ccc(cc2c1SC1CCCC1)-c1cccnc1
C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)C1CCOCC1 |r|
C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)C1CCOCC1 |r|
C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r|
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccnnc1)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(C)nc1)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)cc1)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CO)nc1)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(COC)nc1)C(N)=O
CCC(CC)CNc1c(cnc2c(C)cc(cc12)-c1cccnc1)C(N)=O
NC(=O)c1cnc2cc(F)c(cc2c1NC1CCOCC1)-c1cccnc1
NC(=O)c1cnc2c(Cl)cc(cc2c1NC1CCOCC1)-c1cccnc1
COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r|
COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3F)c(cnc2cc1F)C(N)=O |r|
COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3C)c(cnc2cc1F)C(N)=O |r|
CCC(CC)CNc1c(cnc2ccc(cc12)-c1cnn(C)c1)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccncc1)C(N)=O
NC(=O)c1cnc2cc(Cl)c(cc2c1NC1CCOCC1)-c1cccnc1
NC(=O)c1cnc2ccc(cc2c1NCC1CCOCC1)-c1cccnc1
CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O
NC(=O)c1cnc2ccc(cc2c1NCC1CCCCC1)-c1cccnc1
C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r|
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(COC)cc1)C(N)=O
CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)nc1)C(N)=O
NC(=O)c1cnc2c(F)cc(cc2c1NC1CCOCC1)-c1cccnc1
COCc1ccc(c(F)n1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1 |r|
[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)NC(=O)c1cc3c(F)cc(F)cc3[nH]1)C2(C)C |r|
C[C@H]1NC(=O)c2cc([nH]c12)-c1cccc2c1nc(NC(C)(C)C)n(C)c2=O
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)N(C)C)c2cn[nH]c2c1
CCc1c([nH]c(=O)c2c1s[nH]c2=O)-c1ccc(cc1)N1CCC(C1)N(C)C
COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N
COc1cc(c(OC)cn1)C(O)(CCN(C)C)C(c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC
COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC
COc1cccc(C(c2cc3cc(Br)ccc3nc2OC)C(O)(CCN(C)C)c2cnc(C)cc2C)c1OC
COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(ccc2nc1OC)C#N
COc1cnc(OC)c(c1)C(O)(CCN(C)C)C(c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC
COc1cc(c(OC)nc1OC)C(O)(CCN(C)C)C(c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC
COc1cccc(C(c2cc3cc(ccc3nc2OC)C#N)C(O)(CCN(C)C)c2cc(C)nc(C)c2)c1OC
COc1cccc(C(c2cc3cc(Br)ccc3nc2OC)C(O)(CCN(C)C)c2cc(C)cnc2C)c1OC
COc1cccc(n1)C(O)(CCN(C)C)C(c1cccc2OCOc12)c1cc2cc(Br)ccc2nc1OC
COc1cc(cnc1OC)C(O)(CCN(C)C)C(c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC
CCOc1cc(cc(OC(C)C)n1)C(O)(CCN(C)C)C(c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC
CCOc1cc(cc(OC(C)C)n1)C(O)(CCN(C)C)C(c1cc(OC)nc(OC)c1)c1cc2cc(Br)ccc2nc1OC
COc1cc(cc(n1)N(C)C)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
COc1cnc(OC)c(c1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2CCCc12)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC(C)C)n1)[C@H](c1cc2cc(ccc2nc1OC)C#N)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1cccc2CCCCc12 |r|
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(Br)ccc2nc1OC |r|
CN(C)CC[C@@](c1cc(nc(c1)OC)OC)([C@H](c2cccc(c2F)OC)c3cc4cc(ccc4nc3OC)Br)O
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccc(OC)c(F)c1)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(ccc2nc1OC)C#N)c1cccc2OCCOc12 |r|
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCCOc12)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1cccc2ccoc12 |r|
COc1cnc(OC)c(c1)[C@H](c1cc2cc(ccc2nc1OC)C#N)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cc(OC)c(OC)nc1OC)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cc(SC)nc(SC)c1)c1cc2cc(Br)ccc2nc1OC |r|
CCOc1cc(cc(OC(C)C)n1)[C@H](c1cc2cc(ccc2nc1OC)C#N)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
CN(C)CC[C@@](c1cc(nc(c1)OC)OC)([C@@H](c2cc3cc(ccc3nc2OC)Br)c4cc(nc(c4OC)OC)OC)O
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cc(OC)nc(c1)N(C)C)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(OC)n1)C(O)(CCn1ccnc1)C(c1cccc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC
COc1cc(cc(OC)n1)C(O)(CCn1ccnc1)C(c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(ccc2nc1OC)C#N |r|
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1cccc(OC)c1OC |r|
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCCOc12)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cc(OC(C)C)cnc1OC)c1cc2cc(ccc2nc1OC)C#N |r|
CCCOc1cc(cc(OC)n1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
CCSc1cc(cc(n1)N(C)C)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(Br)ccc2nc1OC |r|
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@H](c1ccc(nc1)N(CC)CC)c1cc2cc(Br)ccc2nc1OC |r|
CCOc1cc(cc(n1)N(C)C)[C@H](c1cc2cc(ccc2nc1OC)C#N)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccnc1OC)c1cc2cc(Br)ccc2nc1OC |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2
CC(C)Cn1cc(-c2ccncc2)c2ccncc12
C(C1CC1)n1cc(-c2ccncc2)c2ccncc12
COCCn1cc(-c2ccncc2)c2ccncc12
CC1(Cn2cc(-c3ccncc3)c3ccncc23)COC1
C1CC(CCO1)n1cc(-c2ccncc2)c2ccncc12
C(c1ccccc1)n1cc(-c2ccncc2)c2ccncc12
c1c(-c2ccncc2)c2ccncc2n1-c1ccccc1
Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12
O=C(Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12)C1CC1
O=C(NC1CC1)Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12
O=C(NC1CC1)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12
CC1(C)CN(C1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12
O=C(Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn([C@H]2CC[C@@](C)(O)CC2)c2cnccc12 |r,wU:23.25,5.5,1.0,wD:20.21,(67.8,-7.39,;66.77,-6.25,;65.27,-6.57,;64.23,-5.42,;64.7,-3.97,;66.21,-3.64,;66.68,-2.18,;67.24,-4.79,;62.73,-5.75,;62.26,-7.22,;61.69,-4.61,;60.19,-4.94,;59.72,-6.41,;58.21,-6.74,;57.18,-5.6,;57.64,-4.14,;59.15,-3.8,;57.75,-8.2,;58.66,-9.44,;57.76,-10.69,;58.24,-12.15,;57.22,-13.3,;57.69,-14.75,;59.2,-15.07,;58.8,-16.55,;60.28,-16.15,;60.23,-13.92,;59.75,-12.45,;56.29,-10.22,;54.95,-11,;53.61,-10.23,;53.62,-8.69,;54.95,-7.92,;56.28,-8.68,)|
CCN1CCN(CC1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12
Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1
CC1(CC1)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C1CCC1
COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C
COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1cncn1C(C)C
COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cnccn1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCC3C=NNC3C2)c(Cl)c1 |c:33|
COCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(Cl)c1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C1CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3ccc(O)cc3C2)c(Cl)c1
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
[H][C@]12CN(C(=O)c3ccc(cc3)-c3cnn4c(N)c(c(NC5CC(C)(C)N(C)C(C)(C)C5)nc34)-c3ccccc3)[C@]([H])(CO1)C2 |r|
COC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
CN1C(C)(C)CC(CC1(C)C)Nc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(cc1)C(=O)N1CCN(CC1)S(C)(=O)=O
C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r|
C[C@H]1CNC[C@H](C)N1Cc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12 |r|
Cc1cc(Cl)cc(c1C[C@@H]1CNCCO1)-c1ccnc2cc(CN3C(=O)C4CC4C3=O)sc12 |r|
Cc1cc(Cl)cc(c1C[C@@H]1CNCCO1)-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r|
CC(C)CCNC1=CC(=O)c2ccccc2C1=O |t:6|
O=C(CCCCCCC(=O)Nc1ccccc1)NOC(c1ccccc1)(c1ccccc1)c1ccccc1
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCC[C@H]1O |r|
Nc1ncnc2n(nc(Oc3cc(ccn3)C#N)c12)[C@H]1C[C@H](F)C1 |r,wU:19.21,wD:21.24,(4.07,-26.23,;4.07,-27.77,;2.74,-28.54,;2.74,-30.08,;4.08,-30.85,;5.42,-30.07,;6.89,-30.54,;7.79,-29.29,;6.87,-28.04,;7.34,-26.58,;8.84,-26.25,;9.3,-24.78,;10.8,-24.45,;11.85,-25.59,;11.38,-27.06,;9.87,-27.39,;11.25,-22.99,;11.72,-21.52,;5.41,-28.53,;7.38,-32,;8.75,-32.69,;8.06,-34.07,;8.55,-35.53,;6.68,-33.38,)|
CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC |r|
CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r|
COc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r|
COc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC |r|
CCCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC |r|
CCCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC2CCC2)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r|
COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(SC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(SC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r|
COc1cc(cc(n1)S(C)(=O)=O)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(n1)N(C)C)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r|
CCOc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
CCOc1cc(cc(OC(C)C)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1c(OC)cncc1OC |r|
COc1cccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F |r|
COc1cccc([C@H](c2cc3cc(ccc3nc2OC)C#N)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F |r|
COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1OC |r|
COc1nc2ccc(Br)cc2cc1[C@@H](c1cccc2OCOc12)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1 |r|
COc1nc2ccc(cc2cc1[C@@H](c1cccc2OCOc12)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1)C#N |r|
COc1nc2ccc(cc2cc1[C@@H](c1cccc(C)c1F)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1)C#N |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(ccc2nc1OC)C#N |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(Br)ccc2nc1OC |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(ccc2nc1OC)C#N |r|
CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r|
CCSc1cc(cc(n1)N(C)C)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r|
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1
Cc1ncc([nH]1)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C
Cc1cc(F)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1
Cc1ccc(-c2ncc[nH]2)c(C)c1NC(=O)c1ccc(OCc2ccccn2)cc1
Cc1cnc(-c2ccc(cc2)-c2ccco2)n1Cc1ccccc1OCCCCCC(O)=O
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc(F)ccc12
CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r|
CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
CS(=O)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
C[C@@H](Nc1nc2n(ncc2c(=O)n1Cc1ccc(F)cc1)C(C)(C)C)c1ccc(Cl)cc1 |r|
CC(O)CN1[C@@H](C)CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
CC(O)CN1[C@@H](C)CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C |r|
C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1 |r|
Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br
Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(cc1)C(O)=O
Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C
C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1cc(ccn1)C(F)(F)F)C1CCCCC1 |r|
COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1 |r|
C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1cc(Cl)ccn1)C1CCCCC1 |r|
C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1nccc2ccccc12)C1CCCCC1 |r|
Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCOCC4)c3c2)c1F
Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCCOC4)c3c2)c1F
Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCS(=O)(=O)CC4)c3c2)c1F
OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|
COc1cncc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c12)c1ccccc1)c1ccc(cc1)C#N |r|
COc1nc(cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c12)c1ccccc1)c1ccc(cc1)C#N)C#N |r|
COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N
CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)|
CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)|
O[C@H]1CC[C@@H](CC1)NC(=O)CCCCCc1ccccc1 |r,wU:4.7,wD:1.0,(23.68,-40.08,;25.01,-40.84,;25.01,-42.38,;26.34,-43.14,;27.67,-42.38,;27.67,-40.84,;26.34,-40.06,;29,-43.15,;30.34,-42.39,;30.34,-40.85,;31.67,-43.16,;33.01,-42.39,;34.34,-43.16,;35.67,-42.39,;37.01,-43.17,;38.34,-42.4,;39.66,-43.17,;41,-42.41,;41,-40.87,;39.66,-40.09,;38.33,-40.87,)|
CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(2.31,-18.95,;3.77,-18.47,;4.92,-19.5,;6.38,-19.02,;7.54,-20.05,;9,-19.57,;9.31,-18.07,;8.17,-17.04,;6.7,-17.51,;10.77,-17.6,;11.25,-16.13,;12.79,-16.13,;13.26,-17.6,;14.73,-18.07,;15.42,-19.45,;16.8,-18.75,;16.1,-17.38,;18.26,-19.23,;19.41,-18.2,;19.09,-16.69,;20.87,-18.67,;22,-17.64,;23.47,-18.11,;23.79,-19.62,;22.65,-20.65,;21.19,-20.18,;12.02,-18.5,;12.02,-20.04,;10.68,-20.81,;10.68,-22.34,;12.02,-23.12,;13.36,-22.34,;13.35,-20.8,;14.68,-20.03,)|
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(O)c1
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(Cl)c1
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(F)cc1Cl
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(c1)C(F)(F)F
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cc(F)ccc1F
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1Cl
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2ccccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(F)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(ccc2OC[C@@H]1Cc1ccc(Cl)cc1)C#N |r|
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(Cl)cc(Cl)c2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cnccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2ccncc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cccnc2OC[C@@H]1Cc1ccc(Cl)cc1 |r|
Nc1nc(n[nH]1)N1CCC(CC1)N(Cc1ccccc1)[C@H](CO)Cc1ccc(Cl)cc1 |r|
CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2ccccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r|
CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(OC)ncn1)[C@H]2Nc1nc2C(CCCCn2n1)c1ccc(F)c(F)c1F |r,TLB:9:7:17:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2N(CCCn2n1)c1cc(F)cc(F)c1 |r,TLB:9:7:16:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1ccnc(OC)c1)[C@H]2Nc1nc2N(CCCn2n1)c1ccc(F)c(F)c1 |r,TLB:9:7:17:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2[C@@H](CCCCn2n1)c1ccc(F)c(F)c1F |r,TLB:9:7:16:3.2|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
[H][C@]1(CCN(C1)c1c(F)cc2ccc(=O)n(C3CC3)c2c1C)[C@H](C)N |r|
[H][C@]1(CCN(C1)c1c(F)cc2c(CN)cc(=O)n(C3CC3)c2c1C)[C@H](C)N |r|
Cc1c(N2CC3CC3(N)C2)c(F)cc2c(CN)c(F)c(=O)n(C3CC3)c12
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccccn12
Fc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccc(cn12)C#N
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
NCc1cccc(c1)-c1cccc(COc2ccccc2CC(O)=O)c1
CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
CNC(=O)[C@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 |r|
Cc1nsc(n1)N1CC2CCC(C1)C2Nc1nc2c(cccn2n1)-c1ccc(F)c(F)c1F |@@:13,TLB:4:6:13:9.10|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(C)ns1)[C@H]2Nc1nc2c(OCC(F)(F)F)cccn2n1 |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ns1)[C@H]2Nc1nc2c(OCC(F)(F)F)cccn2n1 |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(C)no1)[C@H]2Nc1nc2c(OCC(F)(F)F)ccc(n2n1)C(F)(F)F |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2c(OCC(F)F)ccc(n2n1)C(F)(F)F |r,TLB:9:7:16:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1nnc(C)o1)[C@H]2Nc1nc2c(O[C@@H](C)C(F)(F)F)ccc(n2n1)C(F)(F)F |r,TLB:9:7:15:3.2|
OC(=O)c1cc(-c2ccc(cc2)C23CCN(CC2)CC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C12CCN(CC1)CC2
[H][C@@]12COC[C@]1([H])[C@@H]2NC(=O)c1cc2[C@@H]([C@@H](CF)Oc2c(c1)C(=O)NC)c1ccccc1 |r|
Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO
Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r|
Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Cc1nsc(NS(=O)(=O)c2cc(F)c(O[C@H]3CCC[C@@H]3c3ccnn3C)cc2F)n1 |r|
Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1 |r|
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 |r|
Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r|
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ccncn1 |r|
Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(c(F)c1F)S(=O)(=O)Nc1ccncn1 |r|
Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r|
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r|
Cn1nccc1[C@H]1CCCCC[C@@H]1Oc1cc(F)c(c(F)c1)S(=O)(=O)Nc1ccncn1 |r|
Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Cc1cc(c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Cc1cc(c(F)cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)S(=O)(=O)Nc1ccncn1 |r|
Nc1ncnc2n(cc(-c3ccc4cc[nH]c4c3)c12)-c1ccc(OCCNCCO)cc1
CN(C)Cc1ccc(cc1)-n1cc(-c2ccc3cc[nH]c3c2)c2c(Cl)ccnc12
NCc1ccc(cc1)-n1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1
FC(F)(F)c1nn(cc1-c1ccc2cc[nH]c2c1)-c1ccc(Cc2nc[nH]n2)cc1
N[C@@H](c1ccc(cc1)-n1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1)C(F)(F)F |r|
NCCCCn1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1
N[C@@H]1CC[C@H](C1)n1cc(c(n1)C(F)(F)F)-c1ccc2cc[nH]c2c1 |r|
O=C(Nc1nccs1)C(=N\N1CCCC1)\c1ccc(cc1)S(=O)(=O)C1CC1
Clc1cnc(NC(=O)C(=N\N2CCCC2)\c2ccc(cc2)S(=O)(=O)C2CC2)s1
O=C(Nc1ncns1)C(=N\N1CCCC1)\c1ccc(cc1)S(=O)(=O)C1CC1
Cc1cnc(NC(=O)C(=N\N2CCCC2)\c2ccc(cc2)S(=O)(=O)C2CC2)s1
Cc1nnc(NC(=O)C(=N\N2CCCC2)\c2ccc(cc2)S(=O)(=O)C2CC2)s1
CN1CCN(Cc2cnc(NC(=O)C(=N\N3CCCC3)\c3ccc(cc3)S(=O)(=O)C3CC3)s2)CC1
CC(=O)N1CCN(Cc2cnc(NC(=O)C(=N\N3CCCC3)\c3ccc(cc3)S(=O)(=O)C3CC3)s2)CC1
C[C@H](Oc1ccc(C#N)c(Cl)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C(F)(F)F |r|
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C#N |r|
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)S(C)(=O)=O |r|
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O |r|
C[C@H](Oc1ccc(cc1C(=O)N1CC(C1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F |r|
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ccccc1)S(C)(=O)=O |r|
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ccc(cn1)C(F)(F)F)S(C)(=O)=O |r|
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O |r|
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O |r|
NS(=O)(=O)c1cc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)ccc1F
CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3
CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1Cl)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1 |r|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCN(C)CC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCNCC2)cc1
NC(=O)[C@H]1CC[C@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
NC(=O)[C@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
NC(=O)[C@@H]1CC[C@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F
NC(=O)[C@@H]1CCC[C@@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@H]1CCC[C@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CSC[C@@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccc(F)cc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccc(cc2)C#N)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2cccc(c2)C#N)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2C#N)cc1 |r|
C[C@@H](Oc1ccc(cc1)[C@H]1CC[C@H](N1)C(N)=O)c1ccccc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1F |r|
CN1[C@@H](CC[C@@H]1c1ccc(OCc2ccccc2F)cc1)C(N)=O |r|
CNC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1 |r|
COc1cc(ccc1OCc1ccccc1F)[C@H]1CC[C@H](N1)C(N)=O |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)c(c1)C#N |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cn1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2ccccc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2ccc(F)cc2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2cccc(F)c2)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2ccccc2C#N)cc1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1cccc(Oc2ccccc2)c1 |r|
NC(=O)[C@@H]1CC[C@@H](N1)c1cccc(OCc2ccccc2)c1 |r|
C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8|
NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
[H][C@@]12CCOC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:8|
[H][C@@]12COCC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:8|
[H][C@@]12C[C@H](C)OC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:9|
[H][C@@]12C[C@H](CF)OC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:10|
CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N
CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N
COc1cc(\C=C2/CCCN3[C@@H](C)[C@H](ON=C23)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 |r,t:15|
COc1cc(\C=C2/CCCN3[C@@H](C)[C@H](ON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 |r,t:15|
COc1cc(ccc1-n1cnc(C)c1)C1=CC2=NO[C@@H](CN2CCC1)c1cc(F)c(F)c(F)c1 |r,t:16,18|
COc1cc(ccc1-n1cnc(C)c1)C1=CC2=NOC[C@@H](N2CCC1)c1cc(F)c(F)c(F)c1 |r,t:16,18|
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)S(F)(F)(F)(F)F)cc1 |r|
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(C)(F)F)cc1 |r|
C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl
Cc1nc(C)c(o1)C(=O)Nc1ccc(F)c(c1)-c1nc2ncc(cn2n1)-c1ncccc1C
C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(C)n3)cc12
CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccn3cnc(-c4nnc(C)o4)c3c2)n1
CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12
CN(C)Cc1cc(nn1C)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12
CN(C)Cc1cnn(c1)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)S(C)(=O)=O
CNC(=O)c1ccc2n(C)cc(-c3nc4c(ccnc4[nH]3)-n3cc(CN(C)C)cn3)c2c1
CN(C)Cc1cnn(c1)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)C(=O)N(C)C
CNC(=O)c1cc2c(cn(C)c2cn1)-c1nc2c(ccnc2[nH]1)-n1cc(CN(C)C)cn1
CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(NC(C)=O)cc12
CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)-c1nnc(C)o1
Cn1ccc2c(cccc12)-c1nc2c(ccnc2[nH]1)-n1cc(CN2CC[C@@H](O)C2)cn1 |r|
Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12 |r|
Cn1ccc2c(cccc12)-c1nc2c(ccnc2[nH]1)-n1cc(CN2CC[C@H](O)C2)cn1 |r|
Cc1nn(cc1CN1CC[C@H](O)C1)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12 |r|
Cn1ccc2c(cccc12)-c1nc2c(ccnc2[nH]1)-n1cc(N[C@@H]2CCOC[C@@H]2N)cn1 |r|
CN([C@@H]1CCOC[C@@H]1N)c1cnn(c1)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12 |r|
CN(C)Cc1cnn(c1)-c1ccnc2[nH]c(nc12)-c1cccc2n(C)ccc12
Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2CCc3cc(Cl)ccc3-n12 |r,wU:9.13,wD:6.6,(28.76,-42.13,;29.65,-43.38,;29.17,-44.83,;30.41,-45.74,;31.65,-44.84,;31.19,-43.38,;30.41,-47.28,;29.06,-48.05,;29.04,-49.6,;30.39,-50.38,;31.73,-49.62,;31.74,-48.06,;30.39,-51.93,;31.64,-52.84,;31.16,-54.3,;29.62,-54.3,;28.6,-55.45,;27.09,-55.14,;26.62,-53.68,;25.12,-53.37,;24.63,-51.92,;23.11,-51.62,;25.65,-50.77,;27.15,-51.08,;27.63,-52.53,;29.14,-52.84,)|
Clc1ccc-2c(CCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:12.11,wD:15.18,(41.04,-52.06,;42.55,-52.36,;43.57,-51.21,;45.07,-51.52,;45.55,-52.97,;44.54,-54.12,;45.01,-55.57,;46.52,-55.89,;47.55,-54.74,;49.09,-54.74,;49.56,-53.28,;48.31,-52.37,;48.31,-50.82,;46.97,-50.04,;46.98,-48.49,;48.33,-47.72,;49.66,-48.5,;49.66,-50.06,;48.34,-46.19,;47.01,-45.42,;47.02,-43.88,;45.7,-43.11,;44.37,-43.87,;44.37,-45.41,;45.69,-46.18,;47.06,-53.28,;43.04,-53.81,)|
Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(20.56,-28.4,;21.91,-29.12,;23.23,-28.31,;24.58,-29.05,;24.62,-30.59,;23.31,-31.39,;23.13,-32.92,;24.2,-34.02,;25.73,-33.86,;26.56,-32.56,;28.09,-32.56,;28.56,-31.1,;27.32,-30.2,;27.31,-28.66,;25.98,-27.88,;25.99,-26.34,;27.34,-25.57,;28.67,-26.35,;28.66,-27.9,;27.34,-24.04,;26.01,-23.27,;26.02,-21.74,;24.69,-20.97,;23.36,-21.74,;23.36,-23.28,;24.69,-24.04,;26.07,-31.1,;21.96,-30.66,)|
CN(C[C@@H]1CCCN1)Cc1c(cnc2ncn(-c3cc(O)cc(F)c3)c(=O)c12)-c1cc(C)cc(Cl)c1 |r|
CC(Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(46.93,-23.14,;47.7,-24.46,;46.93,-25.8,;45.4,-25.81,;44.92,-24.34,;43.38,-24.36,;42.36,-23.21,;40.85,-23.53,;40.39,-25,;41.41,-26.13,;42.9,-25.81,;44.15,-26.71,;44.16,-28.25,;42.83,-29.02,;42.83,-30.57,;44.17,-31.33,;44.18,-32.87,;43.41,-34.21,;44.95,-34.21,;45.5,-30.56,;46.84,-31.32,;48.17,-30.55,;48.16,-29,;46.83,-28.24,;45.5,-29.01,;49.24,-24.46,;50,-23.12,;50.01,-25.79,)|
C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(C)cc12 |r,c:2,t:9|
CCc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:15,17|
COc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:15,17|
CCOc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:16,18|
C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(OC(F)(F)F)cc12 |r,c:2,t:9|
C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |r,c:2,t:9|
C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9|
C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(cc12)C#N |r,c:2,t:9|
C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |r,c:2,t:9|
C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9|
CCc1ccc2Nc3ccccc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:14,16|
C[C@H]1C=C(CCN1C)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |r,c:2,t:9|
COC(=O)N(C)c1c(N)nc(nc1N)-c1nc(Cc2ccccc2F)n2ccccc12
COC(=O)N(C)c1c(N)nc(nc1N)-c1nc(Cc2ccccc2F)n2ncccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2ccccc2F)c2ccccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2ccccc2F)c2cc(C)ccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2ccccc2F)c2cc(OC)ccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2ccccc2F)c2cc(Cl)ccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2ccccc2F)c2cc(F)ccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2ccccc2F)c2cc(ccc12)C#N
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2ccccc2Cl)c2ccccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2cccc(F)c2F)c2ccccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2cc(F)ccc2F)c2ccccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2cc(F)cc(F)c2F)c2ccccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2c(F)ccc(F)c2F)c2ccccc12
COC(=O)N(C)c1c(N)nc(nc1N)-n1nc(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12
COC(=O)Nc1c(N)nc(nc1N)-n1nc(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12
Nc1nc(nc2[nH]c(=O)[nH]c12)-n1nc(Cc2ccccc2F)c2ccccc12
Cn1c2c(N)nc(nc2[nH]c1=O)-n1nc(Cc2ccccc2F)c2ccccc12
CCn1c2c(N)nc(nc2[nH]c1=O)-n1nc(Cc2ccccc2F)c2ccccc12
Cn1c2c(N)nc(nc2[nH]c1=O)-n1nc(Cc2ccccc2F)c2cc(Cl)ccc12
Nc1nc(nc2NC(=O)Cc12)-n1nc(Cc2ccccc2F)c2ccccc12
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(Cc2ccccc2F)c2ccccc12
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(Cc2ccccc2F)c2cc(Cl)ccc12
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(Cc2c(F)ccc(F)c2F)c2ccccc12
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12
CCCc1nn(-c2nc3NC(=O)C(C)(C)c3c(N)n2)c2ccc(Cl)cc12
CCCCc1nn(-c2nc3NC(=O)C(C)(C)c3c(N)n2)c2ccc(Cl)cc12
CCCCCc1nn(-c2nc3NC(=O)C(C)(C)c3c(N)n2)c2ccc(Cl)cc12
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(CCC(F)(F)F)c2ccccc12
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(CCC(F)(F)F)c2cc(Cl)ccc12
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(CCCC(F)(F)F)c2cc(Cl)ccc12
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1 |r|
CN1C(=O)[C@]2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(OCC#C)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(OC3CC3)ccc2c1
CC(C)(CO)n1nc(c(C(N)=O)c1N)-c1ccc2cc(OC3CC3)ccc2c1
CCOc1ccc2cc(ccc2n1)-c1nn(c(N)c1C(N)=O)C(C)(C)CO
CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)CCO
CC(C)(CO)Cn1nc(c(C(N)=O)c1N)-c1ccc2cc(OC3CC3)ccc2c1
CC(C)(CO)Cn1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1
CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CC2)c(N)c1C(N)=O
CC(C)(CO)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1
CC(C)(CO)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)CO
CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)CO
CC(C)(CCO)n1nc(c(C(N)=O)c1N)-c1ccc2cc(OC3CC3)ccc2c1
CC(C)(CCO)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1
CC(C)(CCO)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
CCOc1ccc2cc(ccc2n1)-c1nn(c(N)c1C(N)=O)C(C)(C)CCO
CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)CCO
CC(CCO)n1nc(c(C(N)=O)c1N)-c1ccc2cc(OC3CC3)ccc2c1
CC(CCO)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1
CC(CCO)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
CCOc1ccc2cc(ccc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C(C)CCO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)cc12
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12
CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12
CNC(=O)c1ncn2ccc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12
CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(cn3)[C@@H]3C[C@H](O)CN3C)cc12 |r|
CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(cn3)[C@@H]3C[C@@H](F)CN3C)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(F)n3)cc12
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(OC)n3)cc12
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12
CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12
COC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12
CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccc3n(C)nc(-c4nnc(C)o4)c3c2)n1
CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccn3c(C)nc(-c4nnc(C)o4)c3c2)n1
C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(N[C@H]2CCN(CCCF)C2)cn1 |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
CC1N(c2ccc(cc2C11CCNCC1)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@@H](C)C1=O |r|
CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccc(F)cc3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3cccc(F)c3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccc(F)cc3)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3cccc(F)c3)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccccc3F)CC2)O[C@H](C)C1=O |r|
CCN1CC2(CCN(CCc3ccccc3)CC2)O[C@H](C)C1=O |r|
CN1CC2(CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O
CC[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O |r|
C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O |r|
CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2F)C1=O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C)C1=O
CCN1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
CC(C)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O |r|
CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2)C1=O
CC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2ccccc2)C1=O
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC
CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r|
COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1 |r,wU:22.23,(38.75,-2.17,;37.42,-2.94,;37.43,-4.48,;38.76,-5.24,;38.77,-6.79,;37.44,-7.57,;36.1,-6.8,;36.1,-5.26,;34.77,-4.49,;34.76,-2.95,;33.42,-2.19,;32.09,-2.96,;32.11,-4.49,;30.78,-5.27,;30.79,-6.81,;29.46,-7.58,;28.12,-6.82,;26.79,-7.59,;26.79,-9.14,;28.12,-9.91,;29.46,-9.13,;30.8,-9.9,;30.8,-11.44,;32.13,-12.21,;32.14,-13.75,;30.81,-14.52,;30.81,-16.06,;32.14,-16.83,;33.49,-16.04,;34.95,-16.5,;35.84,-15.25,;34.92,-14.02,;35.38,-12.56,;34.34,-11.43,;34.79,-9.96,;36.3,-9.62,;36.76,-8.15,;38.26,-7.81,;39.31,-8.95,;40.81,-8.61,;41.85,-9.75,;43.35,-9.41,;43.82,-7.94,;45.32,-7.61,;42.78,-6.81,;41.27,-7.14,;37.35,-10.76,;38.85,-10.42,;36.88,-12.22,;37.93,-13.36,;33.47,-14.51,;37.37,-15.23,;38.15,-16.56,;39.69,-16.55,;40.45,-15.2,;41.99,-15.19,;39.65,-13.87,;38.12,-13.9,;29.47,-12.21,;28.13,-11.45,;29.47,-13.75,;33.44,-5.27,)|
Cc1ncn(n1)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)(F)F)n1
Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nc(C)no2)C(F)(F)F)n1
Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(C)o2)C(F)(F)F)n1
Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)C#N)C(F)(F)F)n1
Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)C(F)(F)F)C(F)(F)F)n1
Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(Cl)CC2)C(F)(F)F)n1
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(Cc3nnc(C)o3)CC2)n1
Cc1cnc(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)o1
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3coc(C)n3)CC2)n1
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3cnn(C)c3)CC2)n1
Cc1cc(CN2CCN(CC2=O)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)on1
Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)on1
COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)N(C)C)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(18.24,-31.84,;17.89,-33.34,;16.38,-33.68,;15.71,-35.08,;14.17,-35.08,;13.4,-36.42,;11.86,-36.42,;11.09,-35.08,;9.55,-35.08,;8.78,-36.42,;9.55,-37.75,;11.09,-37.75,;7.24,-36.42,;6.47,-37.75,;7.24,-39.08,;4.93,-37.75,;4.16,-36.42,;4.16,-39.08,;16.38,-36.48,;17.89,-36.82,;19.1,-35.85,;20.44,-36.62,;21.78,-35.85,;21.77,-34.3,;23.1,-33.52,;20.44,-33.54,;19.11,-34.31,)|
COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(nc12)C1CCN(C)CC1
COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(CCC(C)(C)O)nc12
CN(C)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
NC(=O)c1cc(Cl)c2cc(cnn12)-c1cc2CNCCc2s1
NC(=O)c1cc(Cl)c2cc(cnn12)-c1cc2CCNCc2s1
COc1ncc(NC(=O)Nc2cnc3ccc(F)cc3c2N(C)C2CCCN(C)C2)cc1Cl
C[C@H]1COCCN1c1c(NC(=O)Nc2cnc(OC3CCN(C)CC3)c(Cl)c2)cnc2ccc(F)cc12 |r|
Fc1cnc2[nH]cc(-c3csc(NC(=O)Cc4cccc(OCCCC5CCNCC5)c4)n3)c2c1
Fc1ccnc2[nH]cc(-c3csc(NC(=O)Cc4cccc(OCCCC5CCNCC5)c4)n3)c12
CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(F)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
CNS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)nc1 |r|
CCS(=O)(=O)c1cnc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)nc1 |r|
CCS(=O)(=O)c6ccc(CNc5nc3cnc(c1c(C)ncnc1C2CC2)nc3n([C@@H](C)C4CC4)c5=O)cn6
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)nc1 |r|
C[C@@H](C1CC1)n1c2nc(ncc2nc(NCc2ccc(cn2)S(C)(=O)=O)c1=O)-c1c(C)ncnc1C1CC1 |r|
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C(F)(F)F)c2=O)-c2c(OC)ncnc2C2CC2)nc1 |r|
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@H](C)C3CC3)c2=O)-c2c(OC)ncnc2C2CC2)nc1 |r|
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(OC)ncnc2C2CC2)nc1 |r|
CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cn2)S(=O)(=O)CC)c1=O)-c1c(OC)ncnc1C1CC1 |r|
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(C)ncnc2C2CC2)nc1
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(OC)ncnc2C2CC2)nc1
O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|
COc1ccc(NC(=O)[C@H]2SCCNC2=O)cc1 |r|
Fc1ccc2nc(cc(C(=O)NCCN3CCCC3)c2c1)-c1ccc(CN2CCOCC2)cc1
Fc1ccc2nc(NCCCN3CCOCC3)cc(C(=O)NCCN3CCCC3)c2c1
Clc1ccc2nc(NCCCCN3CCOCC3)cc(C(=O)NCCN3CCCC3)c2c1
Clc1ccc2nc(NCCC3CCOCC3)cc(C(=O)NCCN3CCCC3)c2c1
Fc1ccc2nc(cc(C(=O)NCCN3CCCC3)c2c1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F
CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c2c(N)ncnc12
CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc12
CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C#N)c2)c2c(N)ncnc12
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C(F)(F)F)c2)c2cnccc12
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncnc12
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cnccc12
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncc(F)c12
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cnc(N)nc12
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12
CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12
CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1F)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(37.25,-23.6,;37.25,-22.06,;35.92,-21.28,;35.92,-19.74,;37.26,-18.98,;38.59,-19.75,;38.58,-21.29,;39.91,-22.07,;39.91,-23.61,;41.25,-24.38,;42.58,-23.61,;42.58,-22.06,;41.24,-21.3,;43.91,-21.28,;43.9,-19.74,;45.25,-22.05,;46.58,-21.27,;46.55,-19.75,;47.53,-18.44,;48.95,-18.98,;48.99,-20.56,;47.99,-21.82,;49.32,-21.31,;49.28,-19.82,;50.75,-20.21,;50.44,-18.52,;47.94,-19.37,;34.6,-18.97,;34.6,-17.43,;33.27,-16.65,;31.94,-17.42,;31.94,-18.97,;33.27,-19.73,;33.26,-21.27,;30.6,-16.64,;29.27,-17.41,;29.82,-15.3,;31.37,-15.3,)|
CN1CCCC1CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN1CCC[C@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CN1CCC[C@@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN1CCC[C@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(no3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CN1CCC(O)(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:8|
CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
NC1=NC(=O)\C(S1)=C\c1csc(n1)-c1ccc(OC(F)(F)F)cc1 |t:1|
C[C@@H](Nc1c(Cl)c(C)nc2cc(F)c(nc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)C#N |r|
[H][C@@]12CN(CCCC(O)=O)C[C@]1([H])[C@H]2C#Cc1ccc(cc1)-c1cc(Cn2ccnc2[C@H](C)O)no1 |r|
CN1CCC(CC1)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C45CCN(CC4)CC5)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccsc3)ccc12
CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl
CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc12
c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2c1)C(=O)c1cccc(Cl)c1 |r|
C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2c1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCOc2c1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1cc2CCCN(C(=O)c3cccc(Cl)c3)c2cn1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r|
COC(=O)N1CCCc2nc(ccc12)[C@@H](C)NC(=O)c1ccc(F)cc1 |r|
CCOC(=O)N1CCCc2nc(ccc12)[C@@H](C)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1CC1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1CCC1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)c1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ncccn1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccncn1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(C)n1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(n1)C(F)(F)F |r|
Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F
Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1
Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1
[H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r|
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(Cl)c2)nc2[C@@H](CCc12)c1ccccc1 |r|
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
FC(F)Oc1ccc(cc1)-c1nnc2cncc(OCCC34C5C6C7C5C3C7C46)n12 |(27.46,-3.21,;27,-4.67,;28.03,-5.81,;25.5,-5,;25.03,-6.46,;23.53,-6.79,;23.06,-8.25,;24.1,-9.39,;25.6,-9.07,;26.06,-7.61,;23.62,-10.85,;24.53,-12.09,;23.62,-13.34,;22.15,-12.87,;20.82,-13.63,;19.49,-12.86,;19.49,-11.32,;20.82,-10.54,;20.82,-9.01,;19.49,-8.25,;19.49,-6.71,;18.17,-5.95,;16.95,-6.87,;17.13,-5.34,;16.2,-4.11,;16,-5.65,;17.24,-4.72,;17.43,-3.18,;18.36,-4.41,;22.15,-11.32,)|
FC(F)Oc1ccc(cc1)-c1nnc2cncc(OCCc3ccccc3)n12
CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1C)-c1ccnc(Nc2cnn(C)c2)n1
CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12
CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(N[C@@H]4CCOC[C@@H]4N)cn3)cc12 |r|
CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(NCCN)cn3)cc12
CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(OCCN)cn3)cc12
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(N[C@@H]4CCOC[C@@H]4N)cn3)cc12 |r|
CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(N[C@@H]4CCOC[C@@H]4N)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(N[C@@H]4CCOC[C@@H]4N)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(NCC4(N)CC4)c(C)n3)cc12
Cc1nn(cc1N[C@@H]1CCOC[C@@H]1N)-c1ccnc(Nc2ccc3n(C)cc(C(=O)C(F)(F)F)c3c2)n1 |r|
Cc1nnc(o1)-c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(N[C@@H]4CCOC[C@@H]4N)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(N[C@@H]4CCNC4)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(N[C@@H]4CCCNC4)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(O[C@@H]4CCNC4)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(O[C@@H]4CCCNC4)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(N[C@H]4CNC[C@@H]4F)c(C)n3)cc12 |r|
CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(O[C@H]4CNC[C@H]4F)c(C)n3)cc12 |r|
Cc1cc(nc(n1)N1CCC(COc2ccccc2C(F)(F)F)C1)C(O)=O
[H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r|
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccc(N)nc2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccnc3[nH]ccc23)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)s2)N2CCOCC2)cc1
Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12
C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N
CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N
CC1(N)CCN(CC1)c1cnc(Sc2ccccc2Cl)c(N)n1
CC1(N)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN
CC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
CC1(CN)CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1
CC1(CN)CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1 |r|
N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r|
CCn1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2C(C)(C)C)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCF)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCO)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CC(C)(C)O)n1
CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1)C1(C)CC1
CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1)C(F)(F)F
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2C)n1
CCn1nc2CCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CCF)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CC(F)(F)F)n1
CCCCCN(CCCCC)Cc1cc(ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O)C(O)=O
CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CCO)C3CCCCC3)C(O)=O)c(=O)[nH]c12
CNc1cc(F)cc2cc(C(=O)Nc3ccc(CO)cc3CN(CCO)C3CCCCC3)c(=O)[nH]c12
CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12
CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(Cl)cc1C(F)(F)F
CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N1CC(=O)NC[C@@H]1Cc1ccc(Cl)cc1 |r|
C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N
CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r|
COC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r|
Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F
C[C@@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r|
[H][C@@]1(CCNC[C@@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
[H][C@]1(CCNC[C@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
[H][C@@]1(CCNC[C@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
[H][C@]1(CCNC[C@@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
CN1CCCN(CC1)c1nccc2[nH]c(nc12)-c1ccc(F)c(F)c1
CN1CCN(CC2CCN(CC2)c2nccc3[nH]c(nc23)-c2cc(F)cc(F)c2)CC1
CN1CCN(CC2CCN(CC2)c2cccc3[nH]c(nc23)-c2cc(F)cc(F)c2)CC1
CN1CCN(CC2CCN(CC2)c2nccc3[nH]c(cc23)-c2cc(F)cc(F)c2)CC1
CN1CCN(CC2CCN(CC2)c2nc(C)cc3[nH]c(nc23)-c2cc(F)cc(F)c2)CC1
Fc1ccc(cc1F)-c1nc2c(nccc2[nH]1)N1CCNCC1
CN1CCN(CC1)C(=O)C1CCN(CC1)c1nccc2[nH]c(nc12)-c1ccc(F)c(F)c1
CN1CCN(CC1)C1CCN(CC1)c1nccc2[nH]c(nc12)-c1cc(F)cc(F)c1
CN1CCN(CC1)C(=O)C1CCN(CC1)c1nccc2[nH]c(cc12)-c1ccc(F)c(F)c1
CN1CCN(CC1)C1CCN(CC1)c1nccc2[nH]c(cc12)-c1cc(F)cc(F)c1
CN1CCCN(CC1)c1nccc2[nH]c(nc12)-c1cc(F)cc(F)c1
CC[C@@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12 |r|
CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Cc1cc(COCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
CC(=O)N1CCN(CCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
CC(=O)N1CCN(CCOCc2cc(C)n(n2)-c2ccc(F)c(F)c2)CC1
CC(=O)N1CCN(CCOCc2ccn(n2)-c2ccc(F)c(F)c2)CC1
CC(=O)N1CCN(CCCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl
[H][C@]12CN([C@H](F)CC1)C(=O)N2OS([O-])(=O)=O |r|
Fc1ccc(-c2cc(no2)C(=O)NC2CCN(CC2)C2CCCCC2)c(F)c1
Fc1ccc(-c2nc(no2)C(=O)NC2CCN(CC2)C2CCCCC2)c(F)c1
Fc1ccc(-c2nnc(o2)C(=O)NC2CCN(CC2)C2CCCCC2)c(F)c1
CN(C)C(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1 |r|
C[C@@H](NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccn1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NCc2ccccc2)C2CCCCC2)c(F)c1 |r|
C[C@@H](NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccc1 |r|
OC[C@@H](NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccc1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NCCc2ccccn2)C2CCCCC2)c(F)c1 |r|
CC(C)(NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccn1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ccccn2)C2CCCCC2)c(F)c1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CCCCC2)c(F)c1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCNC[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
CN1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1 |r|
CCN1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1 |r|
CCCN1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1 |r|
CC(C)N1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CC2)c(F)c1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CCC2)c(F)c1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CCC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CCCC2)c(F)c1 |r|
CC1(CN2CC[C@H](NC(=O)c3cc(on3)-c3ccc(F)cc3F)[C@H](C2)C(=O)NC2(CC2)c2ncccn2)CC1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3(F)CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
FCCCN1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1 |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CC(F)(F)C2)c(F)c1 |r|
COCCN1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1 |r|
CC(=O)N1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1 |r|
Cc1cc(NC2CCc3cc(F)ccc3C2)n2nc(nc2n1)C(C)(F)F
Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F
Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r|
Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F
Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br
COc1ccc2CCC(Cc2c1)Nc1cc(C)nc2nc(nn12)C(C)(F)F
Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F
Fc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
Fc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
Cc1cnc(s1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
Cn1cc2cc(ccc2n1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
OC1(CCCC1)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(cn2)C2CC2)cn1 |r|
Clc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
COc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1
CN(Cc1cc(nc(C)n1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(C1)C1CC1)c1ccccc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCNCC1)c1ccccc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO
CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccc(F)cc1)c1ccc(O)cc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccc(F)cc1F)c1ccc(O)cc1
CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O
CNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCC2CC2)c1=O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CCNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCc2ccncc2)c1=O
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Cn1ccc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2c1=O
Clc1cccnc1\C=C\S(=O)(=O)c1ccccc1Cl
COc1ccccc1S(=O)(=O)\C=C\c1ccccc1Cl
Cc1cc(C)n(n1)-c1nc(O)cc(n1)-c1ccccc1
Cc1cc(C)n(n1)-c1nc(cc(=O)[nH]1)C(F)(F)F
CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
CNCC[C@H](Oc1cccc(c1)N1CCN(C)c2nc(N)ncc2C1=O)c1cccs1 |r|
CNCC[C@H](Oc1cccc(c1)N1CCN(C)c2ncccc2C1=O)c1cccs1 |r|
FC(F)(C(=O)NCc1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O)c1ccc(Cl)cc1
C[C@H](NC(=O)c1cc(nn1C)C(F)(F)F)c1nc(no1)-c1ccnc(c1)C(F)(F)F |r|
Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1
CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@H](N2)C2CCCCC2)c1O |r,t:13|
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(Cl)c4F)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4ccccc4Cl)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4ccccc4OC(F)(F)F)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(OC(F)(F)F)c4)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(Cl)c4)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Cc4cccc(Cl)c4)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
FC(F)(F)Oc1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1
CCc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(c4)C(F)(F)F)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(c4)C(F)(F)F)nnc3-c2c1
FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(Cl)c4)nnc3-c2c1
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
Clc1cccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)c1
CCOc1ccccc1-c1cc2c(N[C@H](CCO)c3ccccc3)ncnc2[nH]1 |r|
OCC[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccccc1)c1ccccc1 |r|
OC[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(CO)cc1)c1ccccc1 |r|
COc1cc(CO)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1 |r|
CN(C)CCNCc1ccc(cc1F)-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1 |r|
COc1cc(CNCCN(C)C)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1 |r|
NC(=O)Cc1cccc(c1)-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1 |r|
COc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1 |r|
OC[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccccc1)c1ccccc1 |r|
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(O)=O
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCC(O)CC1
Nc1ncc(nc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCC(O)CC1
NC1CCN(C1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(F)(F)F
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CC[C@@H](O)C1 |r|
CC(C)(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(F)(F)F
CN1CCCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(F)(F)F
Nc1ncc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(c(F)c1)C(F)(F)F)c1nc(CO)cs1 |r|
NC[C@H](NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1nc(CO)cs1 |r|
COCCNc1cc(NC(=O)N(C)c2ccc(CN3CCN(C)CC3=O)c(C=O)n2)ncc1C#N
COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
COC[C@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C(=O)CN(C)CC4(C)C)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(C)(C)C4=O)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](C)N[C@H](C)C4)c(C=O)nc23)ncc1C#N |r|
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(=O)C4)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](CC4=O)N(C)C)c(C=O)nc23)ncc1C#N |r|
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](CC4=O)N(C)C)c(C=O)nc23)ncc1C#N |r|
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](N(C)C)C4=O)c(C=O)nc23)ncc1C#N |r|
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](N(C)C)C4=O)c(C=O)nc23)ncc1C#N |r|
COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)S(C)(=O)=O)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)C(C)=O)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)(F)F)CC4)c(C=O)nc23)ncc1C#N
COCCOc1cc(NC(=O)N2CCCc3cc(C4CCN(CC4)C4COC4)c(C=O)nc23)ncc1C#N
CN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc23)ncc1C#N
CN1CCC(COc2cc(NC(=O)N3CCCc4cc(C(F)F)c(C=O)nc34)ncc2C#N)CC1
CN(C)CC(C)(O)CNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc23)ncc1C#N
CN(C)CC1(O)CCN(CC1)c1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc23)ncc1C#N
C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.9,wD:1.0,5.5,3.10,(30.93,-25.95,;32.26,-26.73,;32.26,-28.27,;33.59,-29.05,;34.92,-28.29,;34.94,-26.75,;36.27,-25.99,;33.6,-25.96,;32.82,-24.63,;34.37,-24.62,;33.57,-30.59,;32.24,-31.35,;32.23,-32.89,;33.56,-33.67,;34.9,-32.91,;34.9,-31.37,;36.25,-30.61,;37.58,-31.38,;37.56,-32.92,;38.91,-30.62,;40.24,-31.4,;41.58,-30.63,;41.59,-29.09,;42.93,-28.33,;40.26,-28.32,;38.92,-29.08,;40.27,-26.78,;38.94,-26,;37.6,-26.76,;38.95,-24.46,;40.29,-23.7,;41.62,-24.47,;41.61,-26.01,;42.93,-26.79,)|
C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
CC[C@@]1(O)[C@@H](C)C[C@H](C[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)|
CCOc1cc(ccc1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1)C(=O)N1CCC(CC1)N1CCCC1
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O |r,wU:7.6,wD:10.10,(68.13,-33.18,;68.49,-34.68,;67.28,-35.65,;65.95,-34.89,;64.63,-35.66,;64.62,-37.2,;63.29,-37.97,;63.29,-39.5,;64.63,-40.27,;64.62,-41.81,;63.28,-42.57,;63.28,-44.11,;61.96,-41.8,;61.96,-40.27,;65.96,-37.97,;67.29,-37.2,;68.51,-38.15,;70.02,-37.79,;70.91,-39.05,;70.26,-40.45,;72.45,-38.92,;73.1,-37.51,;72.21,-36.25,;72.85,-34.86,;70.68,-36.39,;70,-35,;70.95,-33.79,)|
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|
COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O |r,wU:13.13,wD:16.17,(37.79,-40.16,;39.32,-40.03,;39.96,-38.64,;41.5,-38.5,;42.16,-37.09,;41.27,-35.83,;39.73,-35.97,;39.08,-37.37,;37.57,-37.73,;36.35,-36.78,;35.01,-37.55,;33.68,-36.78,;32.35,-37.55,;32.35,-39.09,;33.68,-39.85,;33.67,-41.39,;32.34,-42.16,;32.33,-43.69,;31.01,-41.38,;31.02,-39.85,;33.68,-35.24,;35.01,-34.47,;36.34,-35.24,;37.54,-34.26,;37.18,-32.76,;39.05,-34.58,;40,-33.37,)|
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)|
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)cccc2C1=O |r,wU:7.6,wD:10.10,(8.39,-31.5,;8.74,-32.99,;7.54,-33.97,;6.21,-33.21,;4.88,-33.97,;4.88,-35.51,;3.55,-36.28,;3.55,-37.82,;4.88,-38.58,;4.87,-40.12,;3.54,-40.89,;3.53,-42.42,;2.22,-40.11,;2.22,-38.58,;6.21,-36.28,;7.55,-35.51,;8.77,-36.47,;10.28,-36.1,;11.17,-37.37,;10.52,-38.76,;12.71,-37.23,;13.36,-35.82,;12.47,-34.56,;10.93,-34.7,;10.26,-33.31,;11.2,-32.1,)|
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O |r,wU:7.6,wD:10.10,(41.22,-16.18,;41.58,-17.68,;40.37,-18.65,;39.04,-17.89,;37.72,-18.66,;37.71,-20.2,;36.38,-20.97,;36.38,-22.5,;37.72,-23.27,;37.71,-24.81,;36.37,-25.57,;36.37,-27.11,;35.05,-24.8,;35.05,-23.27,;39.04,-20.97,;40.38,-20.2,;41.6,-21.15,;43.11,-20.79,;44,-22.05,;45.54,-21.92,;46.19,-20.51,;45.3,-19.25,;43.77,-19.39,;43.09,-18,;44.03,-16.79,)|
Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1
Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1
[H][C@@]12COc3cc(N4CCSCC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r|
[H][C@@]12COc3cc(N4CC[S+]([O-])CC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r|
CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(ccc2C)C(=O)NC2CC2)c1=O
FC(F)(F)c1cccc(c1)-c1cnc2[nH]c(=O)n(CC(=O)NC3CC3)c2c1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cccc(c1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1cc(C)cs1
Cc1ccc(s1)-c1cnc2n(C)c(=O)n(CC(=O)N3CCC3)c2c1
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1c2cc(cnc2n(C)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CC(F)C2)c1=O)-c1ccc(s1)C(F)(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1cc(cs1)C(F)F
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C1CC1
[H][C@]12N(C)c3cccc(OC)c3C(=O)N1CCc1c2[nH]c2cc(OC)ccc12 |r|
CC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(=O)Nc1ccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)CC1 |r|
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CNC(=O)NC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1 |r|
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCCOc4c3)c2c1 |r,wU:12.11,wD:15.18,(30.72,-2.75,;30.73,-4.28,;32.06,-5.05,;32.06,-6.6,;33.39,-7.37,;34.72,-6.59,;36.06,-7.37,;37.39,-6.59,;37.39,-5.04,;36.05,-4.28,;36.05,-2.74,;37.38,-1.96,;38.72,-2.73,;40.04,-1.94,;41.38,-2.72,;41.38,-4.26,;40.05,-5.03,;38.71,-4.27,;42.71,-5.03,;44.05,-4.26,;44.05,-2.72,;45.38,-5.03,;45.38,-6.57,;46.71,-7.33,;48.04,-6.57,;49.39,-7.34,;50.73,-6.56,;50.73,-5,;49.37,-4.22,;48.04,-5.01,;46.7,-4.25,;34.72,-5.05,;33.39,-4.28,)|
CSc1ccccc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r|
COc1nc2ccccc2cc1-c1cnc([nH]1)[C@H](CCCCNC(=O)c1ccccc1SC)NC(=O)c1cncs1 |r|
COc1nc2ccccc2cc1-c1nnc(o1)[C@H](CCCCNC(=O)c1ccccc1SC)NC(=O)c1cncs1 |r|
COC(=O)c1cc(OC[C@H](COS([O-])(=O)=O)OS([O-])(=O)=O)ccc1OC[C@@H](COS([O-])(=O)=O)OS([O-])(=O)=O |r|
COC(=O)c1cc(OC[C@H](COS([O-])(=O)=O)OS([O-])(=O)=O)ccc1OCCCCOS([O-])(=O)=O |r|
COc1nc(OC)c(cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12)-c1ccc(cc1)C#N |r|
COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2cncc(c2)C#N)cc1
Brc1ccccc1C(=O)c1ccc(OCC(=O)Nc2cccnc2)cc1
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2ccncc2)cc1
Fc1cc(NC(=O)COc2ccc(cc2)C(=O)c2cc(Cl)ccc2Br)ccn1
Fc1ccc(NC(=O)COc2ccc(cc2)C(=O)c2cc(Cl)ccc2Br)cc1C#N
CNC(=O)c1cccc(NC(=O)COc2ccc(cc2)C(=O)c2cc(Cl)ccc2Br)c1
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NCC2CC2)cc1
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2cccnc2)cc1
Cc1cc(NC(=O)COc2ccc(cc2)C(=O)c2cc(Cl)ccc2Br)ccn1
Cc1cnccc1NC(=O)COc1ccc(cc1)C(=O)c1cc(Cl)ccc1Br
Cc1ccc(cc1NC(=O)COc1ccc(cc1)C(=O)c1cc(Cl)ccc1Br)C#N
Fc1c(NC(=O)COc2ccc(cc2)C(=O)c2cc(Cl)ccc2Br)cccc1C#N
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC2CC2)cc1
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(c2)C(=O)NCC2CC2)cc1
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2cccc(c2)C#N)cc1
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2cncc(c2)C(=O)NCC2CC2)cc1
Clc1ccc(Br)c(c1)C(=O)c1ccc(OCC(=O)Nc2ccnc(c2)C(=O)NCC2CC2)cc1
NC(=O)c1cccc2cc(oc12)C(=O)N1CCN(CC1)c1nc(nc(n1)-c1cnc(NC(=O)CN2CCOCC2)cc1C(F)(F)F)N1CCOCC1
CNC(=O)c1cc(ccn1)-n1ccc2cc(NC(=O)Nc3ccc(N4CCN(C)CC4)c(c3)C(F)(F)F)ccc12
Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
Oc1ccc(CC(=O)N2CC(CNc3ccccc3)C3(CN(C3)c3ccccc3)C2)cc1
N[C@@H](C(=O)N1CC(CNc2ccc(F)cc2)C2(CN(C2)c2cc(F)cc(F)c2)C1)c1ccc(O)cc1 |r|
Oc1ccc(CN2CC(CNc3ccccc3)C3(CN(C3)c3ccccc3)C2)cc1
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N
COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(nc1N)N1CCCCCC1
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12
CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CN1CCC(Cn2nc(C#Cc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(C#Cc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3c(N)ncnc23)C1
CN1CC[C@H](C1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12 |r|
C[C@@H](CO)Cn1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12 |r|
C[C@H](CO)Cn1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12 |r|
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:25.26,wD:28.30,(71.82,-29.48,;73.33,-29.14,;73.79,-27.68,;75.3,-27.34,;76.33,-28.48,;77.84,-28.16,;78.88,-29.29,;78.41,-30.76,;80.38,-28.97,;81.41,-30.11,;82.92,-29.78,;83.39,-28.31,;82.34,-27.17,;80.84,-27.5,;82.8,-25.7,;84.31,-25.37,;81.76,-24.57,;83.28,-24.23,;75.87,-29.95,;74.36,-30.27,;73.9,-31.74,;73.43,-33.22,;72.96,-34.68,;73.88,-35.93,;72.97,-37.19,;73.46,-38.66,;74.96,-38.96,;75.44,-40.43,;74.41,-41.58,;74.89,-43.04,;72.9,-41.26,;72.43,-39.8,;71.5,-36.72,;70.15,-37.49,;68.82,-36.72,;68.82,-35.18,;70.15,-34.41,;70.15,-32.87,;71.49,-35.17,)|
C[C@H](CO)Cn1nc(C#Cc2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12 |r|
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
C[C@H](CO)Cn1nc(C#Cc2cc(NC(=O)c3ccc(Cl)c(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12 |r|
Cc1ccc(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(70.21,-30.06,;71.72,-29.72,;72.18,-28.25,;73.69,-27.92,;74.72,-29.06,;76.23,-28.73,;77.27,-29.87,;76.8,-31.34,;78.77,-29.54,;79.23,-28.08,;80.73,-27.75,;81.78,-28.89,;83.28,-28.56,;81.31,-30.36,;79.8,-30.68,;82.34,-31.5,;81.88,-32.96,;83.85,-31.17,;83.37,-32.63,;74.26,-30.53,;72.75,-30.85,;72.29,-32.32,;71.82,-33.79,;71.35,-35.26,;72.27,-36.51,;71.36,-37.77,;71.85,-39.23,;73.36,-39.54,;73.84,-41.01,;72.81,-42.16,;73.29,-43.62,;71.3,-41.84,;70.82,-40.38,;69.89,-37.3,;68.54,-38.07,;67.21,-37.3,;67.21,-35.75,;68.54,-34.98,;68.54,-33.44,;69.88,-35.75,)|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
COc1cc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)ccc1CN1CCC2(CC1)C=Cc1ccccc21 |r,c:34|
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)s2)cc1 |r|
COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12 |r|
Oc1nc(ncc1C(=O)NCc1ccc(F)cc1)-c1ccccn1
COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-n1cccn1)c1ccc(OC)cc1
Oc1nc(ncc1C(=O)NC(c1ccccc1)c1ccccc1)-c1cccnn1
COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1
Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
COc1ccc2ncc(F)c(CC[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2n1 |r,wU:16.19,wD:13.12,(46.45,-12.44,;46.45,-13.98,;47.78,-14.75,;47.78,-16.3,;49.11,-17.07,;50.45,-16.29,;51.78,-17.06,;53.12,-16.28,;53.11,-14.73,;54.44,-13.96,;51.77,-13.97,;51.76,-12.43,;53.09,-11.66,;53.09,-10.12,;54.42,-9.35,;54.41,-7.82,;53.08,-7.05,;51.74,-7.82,;51.75,-9.37,;53.07,-5.51,;54.41,-4.73,;55.74,-5.5,;55.74,-7.04,;57.07,-7.81,;58.4,-7.04,;59.74,-7.81,;61.08,-7.04,;61.08,-5.48,;59.73,-4.71,;58.4,-5.49,;57.06,-4.73,;50.45,-14.75,;49.11,-13.98,)|
[H][C@]12OC[C@](O)(CCc3c(F)cnc4ccc(OC)nc34)[C@@]1([H])OC[C@@H]2NCc1cc2OCCOc2cn1 |r|
[H][C@]12OC[C@](O)(CCc3c(F)cnc4ccc(OC)nc34)[C@@]1([H])OC[C@@H]2NCc1ccc2OCC(=O)Nc2n1 |r|
[H][C@]12OC[C@](O)(CCc3c(F)cnc4ccc(OC)nc34)[C@@]1([H])OC[C@@H]2NCc1ccc2OCCOc2c1 |r|
[H][C@]12OC[C@](O)(CCc3c(F)cnc4ccc(OC)nc34)[C@@]1([H])OC[C@@H]2NCc1ccc(C)cc1 |r|
[H][C@]12OC[C@](O)(CCc3c(F)cnc4ccc(OC)nc34)[C@@]1([H])OC[C@@H]2NCc1ccc(Cl)c(Cl)c1 |r|
COc1ccc2ncc(F)c(CC[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:16.19,wD:13.12,(24.44,-34.29,;24.44,-35.83,;25.77,-36.6,;25.77,-38.14,;27.1,-38.92,;28.44,-38.14,;29.77,-38.9,;31.11,-38.13,;31.1,-36.58,;32.43,-35.8,;29.76,-35.82,;29.75,-34.28,;31.08,-33.5,;31.08,-31.96,;32.4,-31.2,;32.4,-29.66,;31.07,-28.89,;29.73,-29.67,;29.73,-31.21,;31.06,-27.35,;32.4,-26.58,;33.73,-27.35,;35.05,-26.57,;36.39,-27.34,;37.72,-26.55,;39.07,-27.33,;39.07,-28.88,;37.73,-29.65,;36.39,-28.89,;35.06,-29.66,;33.73,-28.89,;28.44,-36.59,;27.1,-35.83,)|
COc1ccc2ncc(F)c(CC[C@H]3OC[C@@H](CO3)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r,wU:16.19,wD:13.12,(43.56,-12.17,;43.56,-13.71,;44.9,-14.48,;44.9,-16.03,;46.23,-16.8,;47.56,-16.02,;48.9,-16.79,;50.23,-16.01,;50.22,-14.46,;51.55,-13.68,;48.89,-13.7,;48.88,-12.16,;50.21,-11.38,;50.2,-9.84,;51.53,-9.08,;51.53,-7.54,;50.19,-6.77,;48.86,-7.55,;48.86,-9.09,;50.19,-5.23,;51.52,-4.46,;52.86,-5.23,;52.85,-6.77,;54.19,-7.54,;55.52,-6.77,;56.85,-7.54,;58.2,-6.76,;58.19,-5.21,;59.53,-4.44,;56.85,-4.44,;55.51,-5.22,;54.18,-4.46,;47.56,-14.48,;46.23,-13.71,)|
COc1ccc2ncc(F)c(CC[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2n1 |r,wU:16.19,wD:13.12,(43.56,-35.07,;43.56,-36.61,;44.9,-37.38,;44.9,-38.92,;46.23,-39.69,;47.56,-38.92,;48.9,-39.68,;50.23,-38.91,;50.22,-37.36,;51.55,-36.58,;48.89,-36.6,;48.88,-35.06,;50.21,-34.28,;50.2,-32.74,;51.53,-31.98,;51.53,-30.44,;50.19,-29.67,;48.86,-30.45,;48.86,-31.99,;50.19,-28.13,;51.52,-27.36,;52.86,-28.13,;52.85,-29.67,;54.19,-30.43,;55.52,-29.66,;56.85,-30.43,;55.51,-28.11,;56.85,-27.33,;54.18,-27.35,;47.56,-37.37,;46.23,-36.61,)|
COc1ccc2ncc(F)c(CC[C@@]3(O)CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2n1 |r,wU:17.20,wD:13.12,(65.65,-10.73,;65.65,-12.27,;66.99,-13.04,;66.98,-14.59,;68.32,-15.36,;69.65,-14.58,;70.99,-15.35,;72.32,-14.57,;72.31,-13.02,;73.64,-12.25,;70.98,-12.26,;70.97,-10.72,;72.3,-9.95,;72.29,-8.41,;71.19,-9.49,;73.62,-7.64,;73.61,-6.11,;72.28,-5.34,;70.95,-6.11,;70.95,-7.66,;72.28,-3.8,;73.61,-3.02,;74.94,-3.79,;74.94,-5.33,;76.28,-6.1,;77.6,-5.33,;78.94,-6.1,;80.28,-5.32,;80.28,-3.77,;78.94,-3,;77.6,-3.78,;76.27,-3.02,;69.65,-13.04,;68.31,-12.27,)|
COc1ccc2ncc(F)c(CC[C@]3(O)CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2n1 |r,wD:13.12,17.20,(65.88,-32.88,;65.89,-34.42,;67.22,-35.19,;67.22,-36.74,;68.55,-37.51,;69.88,-36.73,;71.22,-37.5,;72.55,-36.72,;72.55,-35.17,;73.87,-34.4,;71.21,-34.41,;71.2,-32.87,;72.53,-32.1,;72.52,-30.56,;71.42,-31.64,;71.18,-29.81,;71.18,-28.26,;72.51,-27.49,;73.85,-28.26,;73.85,-29.79,;72.51,-25.95,;73.84,-25.17,;75.18,-25.94,;75.18,-27.48,;76.51,-28.25,;77.84,-27.48,;79.17,-28.25,;80.52,-27.47,;80.51,-25.92,;79.17,-25.15,;77.84,-25.93,;76.5,-25.17,;69.88,-35.19,;68.55,-34.42,)|
COc1ccc2ncc(F)c(CC[C@]3(O)CC[C@@H](CC3)NCc3ccc(Cl)c(Cl)c3)c2n1 |r,wD:13.12,17.20,(2.1,-10.3,;2.1,-11.84,;3.44,-12.61,;3.43,-14.15,;4.77,-14.92,;6.1,-14.14,;7.44,-14.91,;8.77,-14.14,;8.76,-12.59,;10.09,-11.81,;7.43,-11.83,;7.42,-10.29,;8.75,-9.51,;8.74,-7.97,;7.64,-9.05,;7.4,-7.22,;7.4,-5.68,;8.73,-4.9,;10.06,-5.67,;10.07,-7.2,;8.73,-3.36,;10.06,-2.59,;11.39,-3.36,;11.39,-4.89,;12.73,-5.66,;14.05,-4.89,;15.39,-5.66,;14.05,-3.34,;15.39,-2.56,;12.72,-2.58,;6.1,-12.6,;4.76,-11.84,)|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3OC(C)C(=O)Nc3c2)CC1
COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 |r|
CN(C)CCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(OCCCCCC(=O)NO)cc2o1
O=c1c(NCc2ccccn2)c(Nc2ccc(cc2)N2CCOCC2)c1=O
O=c1c(NCc2ccccn2)c(Nc2ccc(cc2)N2CCSCC2)c1=O
c1ccnc(c1)CNC2=C(C(=O)C2=O)c3ccc(cc3)N4CCOCC4
Cc1cc(Nc2c(NCc3ccccn3)c(=O)c2=O)ccc1N1CCSCC1
O=c1c(NCc2ccccn2)c(Nc2ccc3CCCc3c2)c1=O
O=c1c(NCc2ccccn2)c(Nc2ccc3OCOc3c2)c1=O
O=c1c(NCc2ccccn2)c(Nc2ccc3scnc3c2)c1=O
Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3)c12
CC(C)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O
C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)ccc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)ccc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)c(F)cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)c(F)cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2[nH]ncc2cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(cc(F)c2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2n(CCO)ncc2cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CCO)ncc2cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CC(O)=O)ncc2cc1-n1cccn1 |r|
C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F
C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1 |r|
C[C@H](Oc1cc(cnc1N)-c1c[nH]nc1C)c1cc(F)ccc1-n1cccn1 |r|
C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r|
CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O
CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OCCCN3CCOCC3)c2n1C\C=C\Cn1c2c(OC)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)-c1ncn[nH]1)C(N)=O
OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
[H][C@]1(CCN(C1)c1c(F)cc2cc(O)c(=O)n(C3CC3)c2c1C)[C@H](C)N |r|
[H][C@]1(CCN(C1)c1c(F)cc2cc(C(O)=O)c(=O)n(C3CC3)c2c1C)[C@H](C)N |r|
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2cc(C(O)=O)c(=O)n(C3CC3)c12
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(C(O)=O)c(=O)n(C3CC3)c12 |r|
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(Cc3n[nH]c(=O)o3)cc(=O)n(C3CC3)c12
CN(C)C(=O)Cc1cc(=O)n(C2CC2)c2c(C)c(N3CCC(C3)C3(N)CC3)c(F)cc12
[H][C@]1(CCN(C1)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23)[C@H](C)N |r|
C[C@H]1COc2c3c(cc(c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O
C[C@H]1CCOc2c(N3CC[C@H](C3)C3(N)CC3)c(F)cc3cc(C(O)=O)c(=O)n1c23 |r|
C[C@H]1CCc2c(N3CC[C@H](C3)C3(N)CC3)c(F)cc3cc(C(O)=O)c(=O)n1c23 |r|
C[C@H]1Cc2c(N3CC[C@H](C3)C3(N)CC3)c(F)cc3cc(C(O)=O)c(=O)n1c23 |r|
C[C@H]1COc2c(N3CC[C@H](C3)C3(N)CC3)c(F)c(F)c3cc(C(O)=O)c(=O)n1c23 |r|
C[C@H]1COc2c(N3CC[C@H](C3)C3(N)CC3)c(F)c(Cl)c3cc(C(O)=O)c(=O)n1c23 |r|
C[C@H]1COc2c(ccc3cc(C(O)=O)c(=O)n1c23)N1CC[C@H](C1)C1(N)CC1 |r|
C[C@H]1COc2c(cc(F)c3cc(C(O)=O)c(=O)n1c23)N1CC[C@H](C1)C1(N)CC1 |r|
C[C@H]1COc2c(cc(Cl)c3cc(C(O)=O)c(=O)n1c23)N1CC[C@H](C1)C1(N)CC1 |r|
C[C@H]1COc2c(cc(C#N)c3cc(C(O)=O)c(=O)n1c23)N1CC[C@H](C1)C1(N)CC1 |r|
[H][C@]12CN(C[C@]1([H])[C@@H](N)CCC2)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@@]12CN(C[C@]1([H])[C@H](N)CCO2)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@]12CN(C[C@]1([H])[C@@H](N)CCO2)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@@]12CN(C[C@]1([H])[C@H](N)C[C@@H](C2)OC)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@@]12CN(C[C@]1([H])[C@H](N)C[C@@H](C2)OC(F)F)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@@]12CN(C[C@]1([H])[C@H](N)C[C@@H](F)C2)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@@]12CN(C[C@]1([H])[C@H](N)CC(F)(F)C2)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@]12CN(C[C@@]1([H])[C@@H](CC[C@H]2N)OC)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
[H][C@]12CN(C[C@@]1([H])C(F)(F)CC[C@H]2N)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
C[C@H]1COc2c(N3CC[C@H](C3)C3(N)CC3)c(F)c(C#N)c3cc(C(O)=O)c(=O)n1c23 |r|
Cc1c(N2CC3CC3(N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12
[H][C@@]12CN(C[C@]1([H])[C@H](N)CCC2)c1c(F)cc2cc(C(O)=O)c(=O)n3[C@@H](C)COc1c23 |r|
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(C(N)=O)c(=O)n(C3CC3)c12 |r|
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(C#N)c(=O)n(C3CC3)c12 |r|
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(-c3noc(=O)[nH]3)c(=O)n(C3CC3)c12 |r|
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(-c3n[nH]c(=O)o3)c(=O)n(C3CC3)c12 |r|
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(-c3ncon3)c(=O)n(C3CC3)c12 |r|
Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(-c3nnco3)c(=O)n(C3CC3)c12 |r|
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(cc(=O)n(C3CC3)c12)-c1cc(O)no1
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(cc(=O)n(C3CC3)c12)-c1noc(=S)[nH]1
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(cc(=O)n(C3CC3)c12)-c1n[nH]c(=O)o1
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(Cc3cc(O)no3)cc(=O)n(C3CC3)c12
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(Cc3noc(=S)[nH]3)cc(=O)n(C3CC3)c12
Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(Cc3noc(=O)[nH]3)cc(=O)n(C3CC3)c12
Clc1ccc(CC(=O)N2CCN(CC2)c2ccc3nncn3n2)cc1Cl
C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1
COc1cc2CC(CC3(F)CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
O=S1(=O)CC2(OCCO2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc12
Cc1c(CN2CCN(CC2)C(=O)c2cc3cccc(C(N)=O)c3o2)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Clc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)N1CCc3ccc(cc3C1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cc(ccn1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(F)c(c1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1F)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2nn13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2nn13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ncnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ncnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2cn13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2nc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cnn3ccc-2nc13
COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnn3ccc-2nc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnn3ccc-2nc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3sc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(Cc3cnc4sc-2nn34)c1
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(Cc3cnc4sc-2nn34)c1
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3[nH]c-2cc13
CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
[H][C@@]12CCc3cc(ccc3[C@@]1(CCN2N[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCCCC3)cc2)CC1
CN1CCN(Cc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
CN1CCN(Cc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCOCC3)cc2)CC1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2CCc3cc(ccc3C2=O)C(C)(C)C)c(F)c1
Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r|
CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)|
COc1c(N)ncnc1N1CCC(CC1)c1nc(cn1C)-c1ccc(F)c(c1)C(F)(F)F
Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F
CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F
Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C=C)-c1ccc(F)c(c1)C(F)(F)F
CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C1CC1)-c1ccc(F)c(c1)C(F)(F)F
Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C=C
CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C1CCC1
Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
CC(C)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
CCC[C@@H](N1CCN[C@H](C)C1)c1nc2ccncc2c(=O)n1CC |r|
CS(=O)(=O)c1nc(NC2CCC(N)CC2)cc(Nc2ccc(F)c(Cl)c2)n1 |(20.3,-54.65,;21.63,-55.42,;22.39,-56.75,;20.86,-56.74,;22.97,-54.65,;24.3,-55.42,;25.64,-54.65,;26.98,-55.42,;26.98,-56.96,;25.65,-57.73,;25.64,-59.26,;26.98,-60.04,;26.97,-61.58,;28.31,-59.27,;28.32,-57.72,;25.64,-53.1,;24.3,-52.34,;24.3,-50.8,;25.63,-50.02,;26.96,-50.79,;28.29,-50.02,;28.29,-48.48,;29.62,-47.7,;26.94,-47.71,;26.93,-46.17,;25.62,-48.49,;22.97,-53.11,)|
Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2ccc3n(C)ccc3c2)cc1
FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2ccc3[nH]ccc3c2)cc1
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@H](N1C2CCC1CC(C2)C(O)=O)c1ccc2ccc(O[C@H]3CC[C@H](CC3)C(F)(F)F)c(c2c1)C(F)(F)F |r,wU:21.22,24.29,1.0,(69.55,-51.11,;69.5,-49.57,;70.79,-48.72,;72.16,-49.41,;72.75,-48.34,;72.21,-47.11,;70.69,-47.18,;71.98,-46.34,;73.36,-47.03,;73.44,-48.57,;74.65,-46.19,;74.56,-44.65,;76.02,-46.88,;68.17,-48.8,;68.16,-47.25,;66.82,-46.49,;65.5,-47.27,;64.16,-46.5,;62.83,-47.27,;62.83,-48.82,;61.5,-49.59,;60.16,-48.82,;58.84,-49.58,;57.5,-48.8,;57.51,-47.26,;58.85,-46.5,;60.17,-47.27,;56.18,-46.48,;56.19,-44.94,;54.84,-47.25,;54.83,-45.71,;64.17,-49.59,;65.5,-48.81,;66.84,-49.58,;64.17,-51.13,;62.84,-51.9,;65.51,-51.9,;64.16,-52.66,)|
CC(F)(F)COc1ncncc1CNc1ncc(C#N)c(N[C@@H]2CC[C@H](O)C(C)(C)C2)n1 |r|
CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4
CC(C)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:31,t:12,14|
FC(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:32,t:13,15|
CC(F)(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|
CC(C)C[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC
COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
CCc1cccc(CNC(=O)c2nc3cccc(COCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
[H][C@@]12Cc3c(COC(=O)\C=C\c4ccccc4)cc(OC)c(OC(=O)\C=C\c4ccccc4)c3[C@]3(CCN1C)CC(=O)C(OC)=C[C@]23[H] |r,c:48,THB:38:37:3.33.2:46|
CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(cc1)C(=O)N1CCCCC1
CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)c(F)c1
CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(s1)C(=O)N1CCCCC1
COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(cc1)C(=O)N1CCCCC1
COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)c(F)c1
CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2
CS(=O)(=O)c1nccc(n1)-c1c(nc2sccn12)-c1cccc(OCc2ccccc2)c1
C(Oc1cccc(c1)-c1nc2sccn2c1-c1ccncn1)c1ccccc1
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCSCc12
CCS(=O)(=O)c1ccc(nc1)C(NC(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(nc1)C(NC(=O)OC)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(nc1)C(NC(=O)CC1CC1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(nc1)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(nc1)C(NC(=O)Cc1ccccn1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(nc1)C(NC(=O)Cc1nccs1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(cc1)[C@H](CC(=O)NC)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
CCS(=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O
CCS(=O)(=O)c1ccc(cc1)C(CC(=O)N(C)C)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(cc1)C(Cn1cccn1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CC(=O)NC(C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O
CC(=O)N1CCc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O
CC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O
CCS(=O)(=O)c1ccc2C(N(Cc2c1)C(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C
CC(=O)N1Cc2cc(ccc2[C@H]1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O |r|
CCS(=O)(=O)c1ccc2[C@@H](N(Cc2c1)C(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
CCS(=O)(=O)c1ccc2[C@H](N(Cc2c1)C(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
COCCS(=O)(=O)c1ccc2C(N(Cc2c1)C(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)CCO
CC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)C1CC1
CC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)CC1CC1
CC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)CC1(CC1)C#N
CNS(=O)(=O)c1ccc2C(N(Cc2c1)C(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)NC1CC1
CS(=O)(=O)c1ccc2C(N(Cc2c1)C=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
COCC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O
COC1(CC1)C(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O
COC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(C)(=O)=O
CS(=O)(=O)c1ccc2C(N(Cc2c1)C(=O)CCC#N)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CS(=O)(=O)c1ccc2C(N(Cc2c1)C(=O)CO)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc2C(N(Cc2c1)C(=O)C1CCO1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
OC(c1ccc(NC(=O)C2N(Cc3cc(ccc23)S(=O)(=O)CC2CC2)C=O)cc1)(C(F)(F)F)C(F)(F)F
COCC(=O)N1Cc2cc(ccc2C1C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)CC1CC1
CNS(=O)(=O)c1ccc2C(N(Cc2c1)C=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CNS(=O)(=O)c1ccc2C(N(Cc2c1)C(=O)C1CCO1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C
[#6]-[#8]-c1c(-[#8]-[#6]-c2ccc(F)cc2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]\[#6]=[#6]\[#6](-[#8])=O)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:24|
CCN(C(=O)C1CC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1C)N1CCN(CC2CC2)CC1
Cc1c(cccc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1)-c1nn(C)c(=O)o1
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)|
COC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:8.11,5.4,(7.07,-20.4,;8.57,-20.08,;9.05,-18.61,;10.56,-18.29,;8.02,-17.47,;8.49,-16,;7.46,-14.86,;7.94,-13.4,;9.44,-13.07,;10.48,-14.21,;10,-15.68,;9.91,-11.61,;9,-10.37,;9.9,-9.12,;9.42,-7.66,;7.91,-7.35,;7.43,-5.89,;8.45,-4.74,;7.97,-3.27,;9.96,-5.05,;10.99,-3.9,;10.44,-6.51,;11.36,-9.59,;12.7,-8.81,;12.69,-7.27,;14.03,-9.58,;14.04,-11.13,;12.7,-11.9,;11.37,-11.13,)|
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
Cc1ccc(Oc2ccc(cc2)-c2nnn(CCN)n2)cc1
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
NCCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
CC(=O)NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
C[C@H](CN)n1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
C[C@@H](N)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
OC(=O)CCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
OC(=O)CCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
N[C@@H](Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1)C(O)=O |r|
OC(=O)CNCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
CCNC(=O)c1ccc(OCc2cccc(C)n2)c(c1)-c1cn(C)nn1
CCNC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(c1)-c1cn(C)nn1
C[C@H](Oc1ccc(cc1-c1cn(C)nn1)C(=O)NC1CC1)c1ccccn1 |r|
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccncc1)C#N
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
COc1ccc(cc1F)-c1ccc(CO[C@H]2C[C@H](C2)N=C=S)nc1 |r,wU:15.15,17.20,(-9.61,.5,;-8.28,-.27,;-6.94,.5,;-5.61,-.27,;-4.28,.5,;-4.28,2.04,;-5.61,2.81,;-6.94,2.04,;-8.28,2.81,;-2.94,2.81,;-1.61,2.04,;-.28,2.81,;-.28,4.35,;1.06,5.12,;2.39,4.35,;3.72,5.12,;4.12,6.61,;5.61,6.21,;5.21,4.73,;6.94,6.98,;8.28,7.75,;9.61,8.52,;-1.61,5.12,;-2.94,4.35,)|
C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O
C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O
CC(=O)c1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
[H][C@@]12Oc3cc(F)c(cc3CN1C(=O)O[C@H]2CNC(C)=O)-c1ccc(nc1)C#N |r|
CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1
COc1ccc(CCNCCCNc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
N#Cc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3[nH]2)cc1
N#Cc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1
CS(=O)(=O)c1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)cc1
OC(=O)c1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)cc1
FC(F)(F)c1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)cn1
Fc1cc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)ccc1C#N
Fc1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C(=O)N4CCNCC4)CC3)nc3ccccc23)cc1
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20|
C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
C[C@@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(cc1)C(F)(F)F |r|
COc1nc(ccc1-n1cnc(C)c1)C1=NOC(C2CC2)C(N1)c1ccc(Cl)cc1 |t:16|
COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:14.13,wD:17.20,(37.79,-32.58,;37.79,-34.12,;39.12,-34.89,;39.12,-36.43,;40.45,-37.21,;41.78,-36.43,;43.12,-37.19,;44.45,-36.42,;44.45,-34.87,;45.77,-34.09,;43.11,-34.11,;43.11,-32.57,;41.76,-31.81,;44.42,-31.79,;44.42,-30.25,;43.09,-29.5,;43.09,-27.95,;44.42,-27.18,;45.76,-27.95,;45.76,-29.48,;44.42,-25.64,;45.75,-24.87,;47.09,-25.63,;47.09,-27.17,;48.42,-27.94,;49.74,-27.17,;51.08,-27.94,;52.42,-27.16,;52.42,-25.61,;51.08,-24.84,;49.74,-25.62,;48.41,-24.86,;41.78,-34.88,;40.45,-34.12,)|
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1
[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12 |r|
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12 |r|
CNC(=O)c1cc(cs1)-n1ncc2cc(Oc3ccccc3Cl)ccc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)cnc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)cnc12
CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(C)nc12
Cc1nc2n(ncc2cc1Nc1c(F)cccc1Cl)-c1csc(c1)C(=O)NC1COC1
Cc1c(C(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)N4CCOCC4)n3)cc2)c(=O)n(-c2ccccc2)n1C
COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Cc1cc(C)cc(OCc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Cc1cc(C)cc(CNc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Cc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Cc1cc(C)cc(c1)C(=O)Nc1cncc(-c2cc(C)cc(C)c2)c1N1CCC(N)CC1
Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(C)cc(C)c3[nH]2)c1N1CCC(N)CC1
NC1CCN(CC1)c1c(NC(=O)c2ccccc2)cncc1-c1cc(Cl)cc(Cl)c1
NC1CCN(CC1)c1c(NC(=O)c2cn3ccccc3n2)cncc1-c1cc(Cl)cc(Cl)c1
Cn1ncc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c1C(F)(F)F
Cc1cc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)n(C)n1
Cc1cc(C)cc(c1)-c1cncc(-c2nc3ccccc3[nH]2)c1N1CCC(N)CC1
Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(ccc3[nH]2)C#N)c1N1CCC(N)CC1
Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(Cl)ccc3[nH]2)c1N1CCC(N)CC1
Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(ccc3[nH]2)C(F)(F)F)c1N1CCC(N)CC1
Cc1ccc2[nH]c(nc2c1)-c1cncc(-c2cc(C)cc(C)c2)c1N1CCC(N)CC1
Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(F)ccc3[nH]2)c1N1CCC(N)CC1
NC1CCN(CC1)c1c(cncc1-c1cc(F)cc(Cl)c1)-c1nc2cc(F)ccc2[nH]1
Cc1cc(F)cc(c1)-c1cncc(-c2nc3cc(F)ccc3[nH]2)c1N1CCC(N)CC1
COc1cc(F)cc(c1)-c1cncc(-c2nc3cc(F)ccc3[nH]2)c1N1CCC(N)CC1
COc1cc(F)cc(c1)-c1cncc(-c2nc3cc(C)ccc3[nH]2)c1N1CCC(N)CC1
COc1cc(OC)cc(c1)-c1cncc(-c2nc3cc(C)ccc3[nH]2)c1N1CCC(N)CC1
CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)c1nc2cc(Cl)ccc2[nH]1)c1ccnc2ccc(F)cc12 |r|
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,18.21,(31.16,-49.31,;31.94,-50.76,;33.11,-51.77,;34.58,-51.26,;34.85,-49.74,;33.69,-48.73,;32.23,-49.24,;36.31,-49.23,;36.59,-47.71,;38.05,-47.2,;39.23,-48.21,;38.93,-49.73,;40.14,-50.67,;39.94,-52.19,;38.51,-52.78,;38.3,-54.3,;37.29,-51.83,;37.51,-50.31,;30.48,-51.26,;30.19,-52.77,;29.32,-50.25,;27.86,-50.76,;29.61,-48.74,;28.44,-47.73,;28.74,-46.23,;27.58,-45.22,;26.12,-45.72,;24.95,-44.72,;25.83,-47.25,;27,-48.25,)|
CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C
CC1(C)CN(CC[C@@]11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)ccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cccc(F)c12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2c(F)cccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(ccc12)C#N |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2c(F)cc(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)cc(F)c12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)c(F)c12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(Cl)c(Cl)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cnccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccncc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cccnc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)cnc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(cnc12)C#N |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ncc(cc12)C#N |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2CNC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
Fc1cc2ncn([C@@H]3C[C@H]4[C@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@H]4C3)c2cc1F |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1c(C)nc2ccc(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(Cl)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(cc12)C#N |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(cc1)C#N)n1cnc2ccc(Cl)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@@]2([H])[C@@H](CC)NC(=O)c1ccc(cc1)C#N)n1cnc2ccc(cc12)C#N |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)c(F)c1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(cc1)C#N)n1cnc2cc(F)c(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
Fc1cc2ncn([C@H]3C[C@H]4[C@@H](C3)[C@@H]4[C@H](NC(=O)c3ccc(Cl)cc3)C3CC3)c2cc1F |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](C)NC(=O)c1ccc(cc1)C#N)n1cnc2cc(F)c(F)cc12 |r|
CC[C@@H](NC(=O)C12CC(F)(C1)C2)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)cc12 |r|
[H][C@]12C[C@@H](C[C@@]1([H])[C@@]2([H])[C@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2ccc(F)cc12 |r|
COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
C[C@H]1[C@H](OC(=O)N1Cc1cc(ccc1-c1cc(ccc1Cl)-c1ccc(cc1C)C(O)=O)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
COc1ccc(cc1-c1cnc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1cc(c(OC)nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1cnc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCC1)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(c(CN2[C@@H](C)[C@H](OC2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1)-c1cc(ccc1OC)-c1ccc(cc1C)C(O)=O |r|
CCc1ncc(c(CN2[C@@H](C)[C@H](OC2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1)-c1cc(ccc1OC)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(OC(F)(F)F)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1ccc(OC(F)(F)F)cc1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(Cl)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(Cl)cc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(Cl)cc(Cl)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(F)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cncc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1ccnc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cccc(n1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
NC(=O)c1cnc(s1)-c1ccc(NCC2(CCC2)c2ncccc2F)nn1
NC(=O)c1cnn(c1)-c1ccc(NCC2(CCC2)c2ncccc2F)nn1
NC(=O)c1ccn(c1)-c1ccc(NCC2(CCC2)c2ncccc2F)nn1
COc1ncccc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r|
COc1ncc(F)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r|
CN(C[C@@H]1Cc2c(CN1)cccc2NN1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C
C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CCC[C@@H]23)CC1 |r,wU:4.4,32.36,wD:1.0,36.39,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;5.97,3.43,;4.73,4.34,;3.48,3.43,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.18,-57.78,;2.08,-56.54,;3.59,-56.7,;4.49,-55.47,;6.01,-55.63,;6.9,-54.39,;6.29,-53.01,;4.77,-52.84,;3.87,-54.07,;7.18,-51.78,;6.71,-50.31,;7.95,-49.39,;9.21,-50.31,;10.68,-49.82,;12.05,-50.53,;12.76,-49.16,;11.38,-48.45,;14.23,-48.68,;14.56,-47.17,;13.41,-46.13,;16.03,-46.68,;16.34,-45.17,;17.81,-44.69,;18.97,-45.72,;18.65,-47.24,;19.79,-48.27,;19.48,-49.77,;18,-50.26,;16.86,-49.22,;17.18,-47.72,;8.73,-51.78,;9.63,-53.02,;9,-54.41,;9.9,-55.64,;11.41,-55.48,;12.03,-54.08,;11.13,-52.85,;11.75,-51.45,)|
CCCC(N)C(=O)NCCc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
C[C@@H]1CC2C(Nc3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1)C(O)=O |r|
OC[C@@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1ccc2nonc2c1)C(O)=O |r|
COc1cc(OC)cc(c1)-c1nn(CCCCCN2CCN(CC2)C(=O)\C=C\C(F)(F)F)c2ncnc(N)c12
Cc1n[nH]c(C)c1N1CCN(CC1)c1cc(ccc1F)C(O)=O
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1O
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1F
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1F
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCN(C)CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC1(COC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
CCC(=O)N(CC1(CCOCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCSCC1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CC2CN(Cc3ccccc3)CC2C1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)C1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCNCC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CC1)C(C)c1ccccc1)c1cccc(n1)C(F)(F)F
CCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCC(=O)N(CC1(CCOCC1)N1CCN(CC(C)C)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOC(C)C)CC1)c1cccc(n1)C(F)(F)F
CCOCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOCC(C)C)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CCOCC(F)(F)F)CC1)c1cccc(n1)C(F)(F)F
CCCOCCN1CCN(CC1)C1(CN(C(=O)CC)c2cccc(n2)C(F)(F)F)CCOCC1
CCC(=O)N(CC1(CCOCC1)N1CCN(CCCOC)CC1)c1cccc(n1)C(F)(F)F
CCC(=O)N(CC1(CCOCC1)N1CCN(CC(C)(C)O)CC1)c1cccc(n1)C(F)(F)F
O=C1N(CC2CC2)CCn2c1nc1cccc(-c3ccccc3)c21
Fc1cccc(c1)-c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Fc1ccc(cc1)-c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Clc1ccc(cc1)-c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Clc1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Brc1cccc2nc3C(=O)N(CC4CC4)CCn3c12
FC(F)(F)c1cccc2nc3C(=O)N(CC4CC4)CCn3c12
Brc1cccc2nc3C(=O)N(Cc4ccccc4)CCn3c12
Fc1ccccc1CN1CCn2c(nc3cccc(Br)c23)C1=O
Fc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cc1
Clc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cc1
Brc1ccc(CN2CCn3c(nc4cccc(Br)c34)C2=O)cc1
Fc1cc(Cl)ccc1CN1CCn2c(nc3cccc(Br)c23)C1=O
Fc1cc(Br)ccc1CN1CCn2c(nc3cccc(Br)c23)C1=O
FC(F)(F)c1cccc2nc3C(=O)N(Cc4ccc(Cl)cc4)CCn3c12
Brc1cccc2nc3C(=O)N(CC4CCC4)CCn3c12
FC(F)(F)c1cccc2nc3C(=O)N(CC4CCC4)CCn3c12
FC(F)(F)c1cccc2nc3C(=O)N(CC4CC5CCC4C5)CCn3c12
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(=O)Cc3ccccc3)cc2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r|
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(=O)Nc3ccccc3)cc2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r|
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(=O)NCc3ccccc3)cc2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r|
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)C(=O)C[C@@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(C)=O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r|
CN(C)C(=O)O\N=C(/C#N)c1nc2ccccc2o1
C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3
Fc1cnc2OCC3(CC3)NC(=O)c3cnn4ccc(nc34)N3CCNC[C@@H]3c2c1 |r|
Fc1cnc2OCC3(CC3)NC(=O)c3cnn4ccc(nc34)N3CCOC[C@@H]3c2c1 |r|
C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F |r|
C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(31.82,-5.44,;30.33,-5.86,;30.73,-7.33,;32.22,-6.93,;33.56,-7.7,;34.96,-7.06,;35.99,-8.2,;35.23,-9.54,;33.72,-9.22,;29,-5.09,;27.67,-5.87,;27.67,-7.42,;26.33,-8.19,;25,-7.42,;25,-5.87,;26.33,-5.1,;26.33,-9.73,;25,-10.48,;24.99,-12.02,;26.32,-12.8,;27.66,-12.03,;27.67,-10.48,;28.99,-12.8,;28.98,-14.34,;30.3,-15.12,;31.64,-14.35,;31.64,-12.81,;30.31,-12.04,)|
Cc1cnc2c(cnn2c1)-c1ccc(cc1F)C(=O)N([C@@H]1CCCNC1)c1ncccc1C |r|
C[C@]1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O |r|
C[C@@]1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O |r|
CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3
CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3
CCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
CCN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12
Fc1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
c1ccc2c(c1)c(c3c(n2)CCCC3)N
Clc1ccc2c(NCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC[C@@H](O)C3)c12)-c1ccc(O)cc1 |r|
CNC(=O)c1c(oc2ccc(O)c(CNCC3(O)CC3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CC4(CCO4)C3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CC4(COC4)C3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(CCO4)C3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CC4(C3)CCOC4)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCCC(F)(F)C3)c12)-c1ccc(O)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC(F)CC3)c12)-c1ccc(O)cc1
CN(C)C(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1oc2ccc(O)c(CN3CCC4(COC4)C3)c2c1C(=O)N1CCC1
Oc1ccc(cc1)-c1oc2ccc(O)c(CN3CCC4(COC4)C3)c2c1C(=O)N1CC(F)C1
CC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cc2c(CN3CCC4(COC4)C3)c(O)ccc2o1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccccc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1cccc(O)c1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(CO)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(OC)cc1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc2[nH]ccc2c1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cn1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)c(F)c1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1F
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1c(F)cc(O)cc1F |(36.94,-34.48,;36.47,-35.95,;34.96,-36.27,;33.93,-35.13,;34.49,-37.73,;35.4,-38.99,;34.6,-40.02,;33.01,-39.76,;31.68,-40.53,;30.34,-39.76,;30.35,-38.22,;29.01,-37.45,;31.68,-37.45,;31.67,-35.91,;30.34,-35.14,;28.94,-35.78,;27.9,-34.63,;28.66,-33.3,;29.06,-31.8,;27.57,-31.41,;27.17,-32.9,;30.17,-33.61,;33.01,-38.21,;36.93,-38.98,;37.7,-40.32,;36.93,-41.65,;39.24,-40.32,;40.01,-38.99,;41.55,-38.98,;39.23,-37.65,;37.69,-37.66,;37.39,-36.28,)|
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)c(C)c1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1C
Oc1ccc(cc1)-c1oc2ccc(O)c(CNCC3(O)CC3)c2c1C(=O)N1CCC1
Oc1ccc(cc1)-c1oc2ccc(O)c(CNCC3(O)CC3)c2c1C(=O)N1CC(F)C1
CNC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cn1
Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)N1CCC1
Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCC3)c2c1C(=O)N1CCC1
Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)N1CC(F)C1
CC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1ccc(O)cn1
CC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cn1
CC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1cc(C)c(O)cn1
CNC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1ccc(O)cc1
CNCCNC(=O)c1cc2c3cccc(C)c3[nH]c2c(n1)-c1ccc(Cl)c(Cl)c1
CN1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)CC1
O=C(NCCN1CCCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
CCN(CC)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
CNCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
CN(C)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
NCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
OCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
O=C(NCCN1CCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
F[C@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|
F[C@@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|
CN(C)CCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
O=C(NCCCN1CCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
O=C(NC1CNC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
CN1CCC(CC1)NC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
CC(C)Nc1nc2CN(C=Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O |c:9|
CC(=O)N1CCc2c(nc(c(n2)N3CCC(CC3)Oc4ccc(cc4F)F)N[C@@H]5CCOC5)C1
CN1CCN(CC1)[C@H]1CC(F)(F)c2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)ccc12 |r|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)C2=CC(=O)OC2)CC1 |r,t:25|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)C2=CC(=O)OC2)CC1 |r,t:26|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)CC3)C2=O)CC1 |r,t:23|
CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
CC1OC(=O)C=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:5|
CCC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:2|
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(Cl)C(=O)OC2)CC1 |r,c:26|
CC1OC(=O)C(C)=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:6|
CC1=C(CCC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
CC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=C(C)C(=O)OC1 |r,c:30|
Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2NC(=O)CC3(CCOCC3)Oc2c1
Cc1ccc(NC(=O)c2cc(cnn2)C(F)(F)F)cc1-c1ccc2NC(=O)CC3(CCOCC3)Oc2c1
[H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r|
[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]1NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
[H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]1NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(C)=O |r|
CN=C(N)NC(=O)Nc1c(C)cccc1C
[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NC(C)C
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NCc1ccccc1
CCNC(=N)NC(=O)Nc1c(CC)cc(NS(=O)(=O)c2ccccc2)cc1CC
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2cc(nc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2c(cnc2C(N)=N1)C#N |r,c:30|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:10|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:28|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:10|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:10|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30|
O=C1COc2ccc(CNC3CCN(CCn4c5nc(Oc6ccccn6)ccc5ccc4=O)CC3)nc2N1
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3ccc(Cl)c(Cl)c3)c2c1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)[C@@H]2COC[C@@H]2O)cnn1[C@@H]1CC1(F)F |r|
F[C@@H]1CNCC[C@H]1c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F
FC1COCC1N1CCC(C(F)C1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1CCOC1
FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1COC1
FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COC1
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)cnn1C1CC1
CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O
Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r|
[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|
[H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(C1)C(=O)N2 |r|
[H][C@@]12[C@@H](C)OC(=O)[C@]1(O)CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
[H][C@@]12[C@@H](C)OC(=O)[C@]1(O)CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N |r|
[H][C@@]12[C@@H](C)OC(=O)[C@]1(O)CC(F)(F)[C@@H](CC)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N |r|
[H][C@@]12[C@@H](C)OC(=O)[C@]1(O)CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1cccc(C)c1C#N |r|
[H][C@@]12[C@@H](C)OC(=O)[C@]1(N)CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N |r|
[H][C@@]12[C@@H](C)NC(=O)[C@]1(N)CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]11CNC[C@H]1[C@H](C)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]11CN(C)C[C@H]1[C@H](C)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]11CN(C[C@H]1[C@H](C)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)C(=O)OCC |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]11CN(C[C@H]1[C@H](C)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)C(=O)NC |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]11CN(C[C@H]1[C@H](C)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)C(=O)NCC |r|
C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r|
Cc1ncc(cc1NC(=O)OC1CCOCC1)-c1ccc2nc(NC(=O)C3CC3)sc2c1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4
NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc12 |r|
CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|
C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|
CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCOCC1 |r|
C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1COC1 |r|
C(CC1CCNCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(CCN1CCOCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
c1ccc2c(c1)[nH]c(n2)CN(CCCCN)[C@H]3CCCc4c3nccc4
CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r|
CCOP(=O)(Cc1cnc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)cn1)OCC |r|
CCO[P@](C)(=O)Cn1ccc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1 |r|
COC[C@H](C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1ccn(CP(C)(C)=O)n1 |r|
CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CO)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r|
CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](CC)CO)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r|
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r|
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(CF)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nc3)S(C)(=O)=O)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nn3)S(C)(=O)=O)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(nc3)S(C)(=O)=O)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)S(C)(=O)=O)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)C(C)C)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)N3CCC3)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nc3)C(=O)N3CCC3)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cn3)C(=O)N3CCC3)c2)n1)OCC
CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(nc3)C(=O)N3CCC3)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(nn3)C(=O)N3CCC3)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(N)=O)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)NC)c2)n1)OCC
CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N(C)C)c2)n1)OCC
Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O |r|
CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|
C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2ncccc2[nH]1
C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2cnccc2[nH]1
C[C@@H](NC(=O)c1ncn2C[C@H](C)N(Cc12)C(=O)Nc1ccc(F)c(c1)C#N)C(F)(F)F |r|
CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F
Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r|
Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r|
Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|
C[C@@H]1CN(C[C@H](N1)C)C(=O)[C@H](C)N2CCC(CC2)N3c4ccccc4NC3=O
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|
Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F
Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N
CC(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
OCCOCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
[H][C@@]12CN(Cc3ccc(OC)nc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(F)cn1)C1CCOCC1 |r|
Fc1ccccc1-c1nnn2C3CN(Cc4ccccc4)CC3OCc12
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CCC(CC3)=C(F)CN)c21 |(-7.77,5.4,;-6.23,5.4,;-5.46,4.07,;-6.08,2.66,;-5.17,1.42,;-5.94,.09,;-3.64,1.58,;-3.01,2.98,;-3.92,4.23,;-3.01,5.48,;-1.55,5,;-.22,5.77,;1.1,5,;2.44,5.77,;3.77,5,;5.1,5.77,;6.43,5,;6.43,3.46,;7.77,2.69,;5.11,2.69,;3.77,3.45,;1.1,3.47,;-.22,2.7,;-.22,1.16,;1.12,.39,;1.12,-1.15,;-.22,-1.92,;-1.55,-1.15,;-1.55,.39,;-.22,-3.46,;-1.55,-4.23,;1.12,-4.23,;1.12,-5.77,;-1.55,3.46,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC\C(C3)=C(/F)CN)c21
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=C(F)CN)c21 |(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;-1.53,-3.79,;1.13,-3.79,;1.13,-5.33,;-1.55,3.02,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC4CCNC4C3)c21
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=C(Cl)CN)c21 |(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;1.13,-3.79,;-1.53,-3.79,;-1.53,-5.33,;-1.55,3.02,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=C(C)CN)c21 |(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;1.14,-3.79,;-1.53,-3.79,;-1.53,-5.33,;-1.55,3.02,)|
CCC(CN)=C1CN(C1)c1nc(Oc2cnc(C)nc2)nc2[nH]c3c(NC)cc(F)cc3c12 |(2.47,-3.02,;1.14,-3.79,;-.2,-3.02,;-1.53,-3.79,;-1.53,-5.33,;-.2,-1.48,;.89,-.39,;-.22,.72,;-1.31,-.37,;-.22,2.26,;1.1,3.02,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;-.22,5.32,;-1.55,4.56,;-3.01,5.03,;-3.92,3.79,;-5.46,3.63,;-6.23,4.96,;-7.77,4.96,;-6.08,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-1.55,3.02,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=C(CN)C(C)C)c21 |(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;-1.53,-3.79,;-1.53,-5.33,;1.14,-3.79,;2.47,-3.02,;1.14,-5.33,;-1.55,3.02,)|
CCCC(CN)=C1CN(C1)c1nc(Oc2cnc(C)nc2)nc2[nH]c3c(NC)cc(F)cc3c12 |(3.8,-3.79,;2.47,-3.02,;1.14,-3.79,;-.2,-3.02,;-1.53,-3.79,;-1.53,-5.33,;-.2,-1.48,;.89,-.39,;-.22,.72,;-1.31,-.37,;-.22,2.26,;1.1,3.02,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;-.22,5.32,;-1.55,4.56,;-3.01,5.03,;-3.92,3.79,;-5.46,3.63,;-6.23,4.96,;-7.77,4.96,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-1.55,3.02,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=C(CN)CC=C)c21 |(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;-1.53,-3.79,;-1.53,-5.33,;1.14,-3.79,;2.47,-3.02,;3.8,-3.79,;-1.55,3.02,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=CC(C)N)c21 |(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;-1.53,-3.79,;-2.87,-3.02,;-1.53,-5.33,;-1.55,3.02,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=C(C)C(C)N)c21 |(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;1.13,-3.79,;-1.53,-3.79,;-2.87,-3.02,;-1.53,-5.33,;-1.55,3.02,)|
CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C3)=C(C)[C@@H](C)N)c21 |r,wD:29.32,(-7.77,4.96,;-6.23,4.96,;-5.46,3.63,;-6.07,2.22,;-5.17,.98,;-5.94,-.36,;-3.64,1.14,;-3.01,2.54,;-3.92,3.79,;-3.01,5.03,;-1.55,4.56,;-.22,5.32,;1.1,4.56,;2.44,5.33,;3.77,4.56,;5.1,5.33,;6.43,4.56,;6.43,3.02,;7.77,2.25,;5.11,2.25,;3.77,3.01,;1.1,3.02,;-.22,2.26,;-.22,.72,;.89,-.39,;-.2,-1.48,;-1.31,-.37,;-.2,-3.02,;1.13,-3.79,;-1.53,-3.79,;-2.87,-3.02,;-1.53,-5.33,;-1.55,3.02,)|
CCC(CN)=C1CN(C1)c1nc(Oc2cnc(nc2)C2CC2)nc2[nH]c3c(NC)cc(F)cc3c12 |(1.7,-3.02,;.37,-3.79,;-.97,-3.02,;-2.3,-3.79,;-2.3,-5.33,;-.97,-1.48,;.12,-.39,;-.99,.72,;-2.08,-.37,;-.99,2.26,;.33,3.02,;.33,4.56,;1.67,5.33,;3,4.56,;4.33,5.33,;5.66,4.56,;5.66,3.02,;4.34,2.25,;3,3.01,;7,2.25,;7.77,.91,;8.54,2.25,;-.99,5.32,;-2.32,4.56,;-3.78,5.03,;-4.69,3.79,;-6.23,3.63,;-7,4.96,;-8.54,4.96,;-6.84,2.22,;-5.94,.98,;-6.71,-.36,;-4.41,1.14,;-3.78,2.54,;-2.32,3.02,)|
CCC(CN)=C1CN(C1)c1nc(Oc2cnc(CO)nc2)nc2[nH]c3c(NC)cc(F)cc3c12 |(1.8,-3.02,;.47,-3.79,;-.87,-3.02,;-2.2,-3.79,;-2.2,-5.33,;-.87,-1.48,;-1.97,-.37,;-.88,.72,;.22,-.39,;-.88,2.26,;.44,3.02,;.44,4.56,;1.77,5.33,;3.1,4.56,;3.1,3.01,;4.44,2.25,;5.77,3.02,;7.1,2.25,;8.43,3.02,;5.77,4.56,;4.44,5.33,;-.89,5.32,;-2.22,4.56,;-3.68,5.03,;-4.59,3.79,;-6.12,3.63,;-6.89,4.96,;-8.43,4.96,;-6.74,2.22,;-5.84,.98,;-6.61,-.36,;-4.31,1.14,;-3.68,2.54,;-2.22,3.02,)|
CCC(CN)=C1CN(C1)c1nc(Oc2cnc(nc2)C(C)O)nc2[nH]c3c(NC)cc(F)cc3c12 |(1.8,-3.02,;.47,-3.79,;-.87,-3.02,;-2.2,-3.79,;-2.2,-5.33,;-.87,-1.48,;-1.97,-.37,;-.88,.72,;.22,-.39,;-.88,2.26,;.44,3.02,;.44,4.56,;1.77,5.33,;3.1,4.56,;3.1,3.01,;4.44,2.25,;5.77,3.02,;5.77,4.56,;4.44,5.33,;7.1,2.25,;7.1,.71,;8.43,3.02,;-.89,5.32,;-2.22,4.56,;-3.68,5.03,;-4.59,3.79,;-6.12,3.63,;-6.89,4.96,;-8.43,4.96,;-6.74,2.22,;-5.84,.98,;-6.61,-.36,;-4.31,1.14,;-3.68,2.54,;-2.22,3.02,)|
CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl
N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
CCNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |r|
CCCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl |r|
C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Cl)[C@@H]1N |r,wD:27.31,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|
CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r|
c1cc2c3cc1CCN4C(=O)C=CC(=N4)c5ccc(c(c5)C(F)(F)F)C(=O)NCCCCn6cc(cn6)-c(c3)cn2
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCC=CCC2)cc1Cl |c:25|
CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1
C[C@@H]1CN(CCN1C)c1cnc(Nc2cc(C3CC3)c(F)c(C)n2)nc1Nc1cc(C)n(C)n1 |r|
CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5
Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1
Cc1cc(N)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(N)(=O)=O
Fc1cc(ccc1CNC(=O)c1ccccc1)-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:27|
c1cc-2c(cc1O)OC(=O)c3c2oc4c3c(c(cc4)O)CN5CCCCC5
Oc1ccc2c3oc4ccc(O)c(CN5CCC(F)CC5)c4c3c(=O)oc2c1
Oc1ccc2c3oc4ccc5OCN(Cc5c4c3c(=O)oc2c1)C1CCCC1
Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
[H][C@]12CN(c3ccc(cc3)C(C)c3ccc4Sc5ccccc5Nc4c3)[C@]([H])(CN1C)C2 |r|
[H][C@]12CN(c3ccc(cc3)C(=C)c3ccc4Sc5ccccc5Nc4c3)[C@]([H])(CN1C)C2 |r|
NC(=O)Nc1ccc(cc1)C(=C)c1ccc2Sc3ccccc3Nc2c1
CC(=O)Nc1ccc(cc1)C(=C)c1ccc2Sc3ccccc3Nc2c1
CN(C)[C@H]1CCN(C1)c1ccc(cc1)C(=C)c1ccc2Sc3ccccc3Nc2c1 |r|
CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F
[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:4.7,1.0,wD:20.23,(-4,0,;-2.66,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.66,-5.39,;-1.33,-6.16,;0,-5.39,;0,-3.85,;1.33,-3.08,;2.67,-3.85,;3.99,-3.08,;5.32,-3.85,;5.33,-5.38,;6.66,-6.15,;4,-6.15,;2.67,-5.38,;1.34,-6.16,;-2.66,.77,;-4,1.54,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-3.99,3.08,;-5.33,3.84,;-6.66,3.08,;-5.33,5.39,;-3.99,6.16,;-2.66,5.39,;-1.33,6.16,;0,5.39,;0,3.85,;1.34,3.08,)|
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccc(C)cc3)c3cc(ccc23)C(C)C)c1
Cc1cccc2[nH]c(nc12)-c1cncc(-c2cc(F)cc(c2)C#N)c1N1CC[C@H](N)C1 |r|
Cc1ccc(F)c2[nH]c(nc12)-c1cncc(-c2cc(F)cc(c2)C#N)c1N1CC[C@H](N)C1 |r|
COc1nc(ccc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12)-c1ccc(Cl)cc1 |r|
CNCC[C@](O)([C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC)c1cccc2ccccc12 |r|
CNCC[C@](O)([C@H](c1ccccc1)c1ccc(nc1OC)-c1ccc(Cl)cc1)c1cccc2ccccc12 |r|
C(N1CCC(CC1)n1cc(Cc2ccccc2)nn1)c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(F)cc2)c1)-c1ccccc1
C[C@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|
C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)CN=C(N)O1 |r,t:22|
C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|
C[C@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)CN=C(N)O1 |r,t:32|
Cc1cccc(c1)-c1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc(c1)C#N
CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F
[H][C@@]12CC=C(n3ccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccncc1 |r,t:3,22|
[H][C@@]12CC=C(n3cnc(C)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)NC(=O)c1ccncc1 |r,t:3,23|
[H][C@@]12C[C@@H](C[C@@]1([H])[C@H](O)\C=C\C(=O)O[C@@H](C)CCC\C=C\2)OC(=O)OCc1cccnc1 |r,t:10,20|
COc1cc(OC)c(F)c(CCc2cnc(Nc3ccc(N4CCC(CC4)N4CCN(C)CC4)c(OC)c3)nc2)c1F
COc1cc(OC)c(F)c(CCc2cnc(Nc3ccc(N4CCN(CC4)C4CCN(C)CC4)c(OC)c3)nc2)c1F
COc1cc(OC)c(F)c(CCc2cnc(Nc3ccc(N4CCC(CC4)N(C)C4CCN(C)CC4)c(OC)c3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCC(CC4)N4CCN(C)CC4)c(OC)c3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCC(CC4)N4CCN(C)CC4)c(F)c3)nc2)c1F
CCOc1cc(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(CC1)N1CCN(C)CC1
COc1cc(OC)c(F)c(COc2cnc(Nc3cnc(N4CCC(CC4)N4CCN(C)CC4)c(OC)c3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(nc3)N3CCC(CC3)N3CCN(C)CC3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3cnc(nc3)N3CCC(CC3)N3CCN(C)CC3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCNC4CCN(C)CC4)c3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCN4CCNCC4)c3)nc2)c1F
COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F
C[C@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CC4(C3)CN(C)C4)nc(NC3(C)CC3)c2c1=O |r|
OC(=O)c1c(NC(=O)c2cc(Cl)ccc2Br)scc1-c1ccc(Cl)cc1
OC(=O)c1c(NC(=O)c2cc(F)ccc2F)scc1-c1ccc(Cl)cc1
CC(N1CCN(Cc2ccc(cc2)C(=O)NO)CC1)c1ccccc1
ONC(=O)c1ccc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
ONC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCO)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.47,wD:14.16,19.20,(.73,4.28,;.18,2.84,;-1.31,2.44,;-1.39,.91,;.04,.35,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;-2.69,.07,;-2.61,-1.47,;-4.06,.77,;-5.35,-.07,;-6.72,.63,;-8.01,-.2,;-9.38,.5,;-10.68,-.34,;-12.05,.36,;-13.34,-.48,;-14.71,.22,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)|
Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(O)=O |r,wD:14.16,19.20,(-4.48,.42,;-5.11,-.99,;-6.62,-1.31,;-6.78,-2.84,;-5.37,-3.47,;-4.34,-2.32,;-2.81,-2.48,;-1.9,-1.24,;-.37,-1.4,;.25,-2.81,;1.79,-2.97,;2.69,-1.72,;2.07,-.31,;.53,-.15,;2.97,.93,;4.5,.77,;5.13,-.64,;4.22,-1.88,;6.66,-.8,;7.29,-2.2,;6.38,-3.45,;7.01,-4.86,;7.16,-3.44,;8.67,-3.78,;8.82,-2.37,;9.44,-3.77,;8.54,-5.02,;2.34,2.34,;3.25,3.58,;2.62,4.99,;1.09,5.15,;.19,3.91,;.81,2.5,;-8.11,-3.61,;-8.11,-5.15,;-9.44,-2.84,)|
Fc1ccc(-c2c[nH]c(c2)C(=O)NC2C3CC4CC(C3)CC2C4)c(F)n1 |TLB:22:21:15.16.17:19,THB:17:16:13:18.20.19,17:18:13:15.16.22,22:16:21.13.20:19,12:13:15.16.17:19,(-4.37,7,;-3.83,5.57,;-4.8,4.38,;-4.26,2.95,;-2.75,2.69,;-2.22,1.26,;-3.06,-.02,;-2.11,-1.22,;-.67,-.69,;-.74,.85,;.61,-1.53,;1.98,-.85,;.51,-3.06,;1.79,-3.91,;3.24,-3.36,;2.15,-4.72,;2.21,-6.44,;3.75,-7,;4.8,-5.59,;4.77,-3.93,;3.3,-6.01,;1.85,-5.53,;.59,-6.95,;-1.77,3.88,;-.26,3.63,;-2.31,5.33,)|
Fc1ccc(-c2c[nH]c(c2)C(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1 |TLB:12:13:16.15.20:18,THB:21:13:16:20.19.18,21:19:16:13.22.14,14:13:16.15.20:18,14:15:13.22.21:18,12:13:16:20.19.18|
Fc1ccc(-c2c[nH]c(c2)C(=O)NC23CC4CC(CC(C4)C2)C3)c(F)n1 |TLB:12:13:16.15.20:18,THB:21:13:16:20.19.18,21:19:16:13.22.14,14:13:16.15.20:18,14:15:13.22.21:18,12:13:16:20.19.18|
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
C[C@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
CC[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(C)nc1-c1nc2ccccc2[nH]1
CCc1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
CC(C)c1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C1CC1
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(CO)nc1-c1nc2ccccc2[nH]1
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C1COC1
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(CN(C)C)nc1-c1nc2ccccc2[nH]1
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
COc1ccc(cc1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F |r|
COc1ccc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F |r|
COc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1cnc(C)nc1)C(F)(F)F |r|
CCCc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1cnc(OCCN(C)C)nc1)C(F)(F)F |r|
COCCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2ccccc12)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1ccc2cccnc12)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1ccc2cnccc12)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1ncc2cccnc12)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)CN1C(=O)Cc2ccccc12)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1c2ccccc2oc1=O)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cccn1)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nccc1C)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1ccc(C)n1)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)cc1C)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1ccc(n1)C(F)(F)F)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc(n1)C(F)(F)F)C(F)(F)F |r|
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cc(Cl)cn1)C(F)(F)F |r|
COc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F |r|
CC(C)Oc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1cnc(OC2CCC2)nc1)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1cnc(C)nc1)C(F)(F)F |r|
CCc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F |r|
CCCc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1cnc(nc1)C1CC1)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1cnc(nc1)C(C)(C)C)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1cnc(nc1)N1CCCC1)C(F)(F)F |r|
COc1ccc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F |r|
CCOc1ccc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1ccc(nc1)C(F)(F)F)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(Br)nc1-c1nc2ccccc2[nH]1
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)-c1noc(C)n1)C(F)(F)F
NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;HN;;;;;;$|
CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;HN;;;;;;;;;;;;;;HN;;;;;;$|
C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
[H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4CCCCc34)C1(O)O)C(=N)N[C@H]2CN1C(=O)CCC1=O |r|
Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)C#N |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1)C#N |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1)C#N |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)C#N |r|
COc1ccc2ncc(F)c(C(O)CCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(\C=C\CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(\C=C/CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(C#CCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)[C@H](C3)C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(N)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(=O)NC(=O)CC(O)=O)c2c1 |r|
COC(=O)[C@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12 |r|
COC(=O)[C@@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(Cc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(CCCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(C[C@@H]3C(O)=O)C(=O)CSc3cccs3)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(C[C@@H]3C(O)=O)C(=O)CSc3ccccc3)c2c1 |r|
COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4cc(F)ccc4F)C[C@@H]3C(O)=O)c2c1 |r|
NC(=S)c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
OCCN1CCN(CC1)c1ccc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)cc1C(F)(F)F
CC1CN(CCOC(=O)c2ccc(N)cc2)CC(C)O1
COc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N
Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)|
Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCCOc5c4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.84,;-3.03,-2.61,;-3.03,-4.15,;-4.37,-4.92,;-5.7,-4.15,;-7.03,-4.92,;-8.37,-4.15,;-8.37,-2.61,;-9.7,-1.84,;-7.03,-1.84,;-6.47,-.41,;-4.93,-.41,;-4.16,.92,;-2.62,.92,;-1.85,2.26,;-.31,2.26,;.46,.92,;-.31,-.41,;-1.85,-.41,;2,.92,;2.77,2.26,;4.31,2.26,;5.08,.92,;6.62,.92,;7.39,2.26,;8.93,2.26,;9.7,3.59,;8.93,4.92,;7.39,4.92,;6.62,3.59,;5.08,3.59,;-4.37,-1.84,;-5.7,-2.61,)|
[H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:20.23,4.7,1.0,(-1.88,-.64,;-1.49,.84,;-.73,2.18,;.81,2.16,;1.57,.84,;.8,-.49,;-.72,-.48,;3.11,.83,;3.89,2.16,;3.12,3.5,;5.43,2.16,;6.19,.82,;7.72,.81,;8.5,2.15,;10.03,2.14,;10.81,3.47,;10.05,4.81,;8.5,4.82,;7.72,3.49,;6.19,3.49,;-3.01,.84,;-3.34,2.35,;-4.16,-.19,;-4.15,-1.73,;-2.82,-2.49,;-1.49,-1.71,;-2.81,-4.04,;-4.14,-4.81,;-5.48,-4.04,;-6.81,-4.82,;-8.15,-4.05,;-8.14,-2.5,;-9.48,-1.74,;-10.81,-2.51,;-6.81,-1.74,;-5.48,-2.5,)|
Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|
Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5CCCOc5cn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|
Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|
Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5SCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|
Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4cc5OCCOc5nn4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-1.85,;-3.03,-2.62,;-3.03,-4.16,;-4.37,-4.93,;-5.7,-4.16,;-7.03,-4.93,;-8.37,-4.16,;-8.37,-2.62,;-9.7,-1.85,;-7.03,-1.85,;-6.47,-.41,;-4.93,-.41,;-4.16,.91,;-2.62,.91,;-1.85,2.25,;-.31,2.25,;.46,.91,;-.31,-.41,;-1.85,-.41,;2,.91,;2.77,2.25,;4.31,2.25,;5.08,3.59,;6.62,3.59,;7.38,4.93,;8.93,4.92,;9.7,3.58,;8.92,2.25,;7.39,2.25,;6.62,.91,;5.08,.91,;-4.37,-1.85,;-5.7,-2.62,)|
Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|
Fc1ccc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|
[H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.71,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.71,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)|
Fc1cnc2ccc(=O)n3CC(C[C@H]4OC[C@@H](CO4)NCc4ccc5SCC(=O)Nc5n4)c1c23 |r,wU:13.12,wD:16.19,(-1.7,-2.51,;-3.04,-3.28,;-3.04,-4.82,;-4.37,-5.59,;-5.7,-4.82,;-7.03,-5.59,;-8.37,-4.82,;-8.37,-3.28,;-9.7,-2.51,;-7.03,-2.51,;-6.47,-1.08,;-4.93,-1.08,;-4.16,.25,;-2.62,.25,;-1.85,1.59,;-.31,1.59,;.46,.25,;-.31,-1.08,;-1.85,-1.08,;2,.25,;2.77,1.59,;4.31,1.59,;5.08,.25,;6.62,.25,;7.39,1.59,;8.92,1.59,;9.7,2.92,;8.93,4.26,;9.7,5.59,;7.38,4.26,;6.62,2.93,;5.08,2.93,;-4.37,-2.51,;-5.7,-3.28,)|
[H][C@@]1(OC[C@@H](CO1)NC(=O)c1ccc2SCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wD:21.24,4.7,1.0,(-1.88,-1.31,;-1.49,.18,;-.73,1.51,;.81,1.5,;1.57,.17,;.8,-1.15,;-.72,-1.14,;3.11,.17,;3.88,1.5,;3.11,2.83,;5.42,1.5,;6.18,.16,;7.72,.15,;8.49,1.48,;10.02,1.47,;10.8,2.8,;10.04,4.14,;10.81,5.48,;8.49,4.15,;7.72,2.82,;6.18,2.82,;-3.01,.18,;-3.34,1.68,;-4.16,-.85,;-4.15,-2.39,;-2.82,-3.15,;-1.5,-2.37,;-2.81,-4.7,;-4.14,-5.47,;-5.47,-4.7,;-6.81,-5.48,;-8.14,-4.71,;-8.14,-3.16,;-9.48,-2.4,;-10.81,-3.17,;-6.81,-2.4,;-5.47,-3.16,)|
CC(C)n1nccc1C(=O)N[C@@H](C(C1CC1)C1CC1)C(=O)Nc1ccc(cc1)-c1c(C)n[nH]c1C |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|
N[C@@H]1C[C@@H]1c1ccc(Br)cc1 |r|
N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1 |r|
N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1 |r|
N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1F |r|
N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1F |r|
N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|
N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|
Cc1cc(=O)n(c(C)n1)-c1ccc(N2CCC(Cc3ccc(Cl)c(F)c3)CC2)c(Cl)c1
CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2
FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CC3)OCCc3sccc43)cc2)cc1
Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF
CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C
Cc1csc(n1)[C@](C)(O)c1nnc(Nc2ccn(Cc3csc(C)n3)n2)s1 |r|
Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F
CCSc1ncc(CN2CCN(CC2)c2nc3ccccc3o2)cn1
CC(C)Sc1nc(C(C#N)c2c(F)cccc2F)c(C)c(=O)[nH]1
Cn1c(cnn1)c2cnn(c2)[C@H](CCOC(F)F)c3ccc(c[n+]3[O-])c4c(ccc(c4F)Cl)n5cc(nn5)Cl
Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C)C)C(=O)N)N)C)O
CCCCNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(ccnc3Cl)C)F)CO
CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(cnc(c3Cl)OC)C)F)CO
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)OC(OC(=O)[C@H](N)C(C)C)C(C)C)C(C)(C)C |r|
Cc1cccnc1Nc1nc(ns1)-c1ccc(OC2CCN(CC2(F)F)C2CC2)cn1
Cc1cccnc1Nc1nc(ns1)-c1ccc(OC2CC3(C2)CN(C3)C2CC2)cn1
Cc1cccnc1Nc1nc(ns1)-c1ccc(OC2CCN(CC2)C2CC2)cn1
CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C)n1
CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C(C)=O)n1
CN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
CN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
CN1CCC(CC1)n1c2nc(Nc3cc4ccnnc4cc3C)ncc2n(C)c1=O
CN1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCNCC3)c2n1
CN1CC[C@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(CCO)C3)c2n1 |r|
COCCN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(C3)C3COC3)c2n1 |r|
CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
CN1C[C@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r|
Cc1cc2c(cccn2)cc1Nc3ncc4c(n3)N(C(=O)N4C)[C@@H]5CNC[C@H]5F
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CNC[C@@H]3F)c2n1 |r|
c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl
[O-][N+](=O)c1ccc(o1)C(=O)Nc1nnc(o1)-c1ccc(Br)cc1
[H][C@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
[H][C@@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
[H][C@@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ncc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)cnc2ccc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ncc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(F)ccc2ncc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(ccc2ccc1=O)C#N |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r|
[H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r|
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C(=O)CC3(CCOCC3)Oc2c1
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C(=O)NC3(CCOCC3)Oc2c1
Cc1cc(C)cc(c1)-n1nc(nc1-c1ccccc1O)-c1ccc(cc1O)C(F)(F)F
O=c1ccc2cc(ccc2n1CCN1CCCCC1)-c1ccc(cc1)C#N
O=C(Cn1c2ccc(cc2ccc1=O)-c1ccc(cc1)C#N)N1CCCCC1
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
N#Cc1ccc(Oc2ccc3nc(OCCN4CCCCC4)ccc3c2)cc1
O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCCCC1
O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCOCC1
O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCNCC1
CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
O=C(COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1)N1CCNC(=O)C1
NC(=O)CNC(=O)COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
O=C(COc1ccc2cc(Oc3ccccn3)ccc2n1)N1CCCCC1
O=C(COc1ccc2cc(Oc3ccccn3)ccc2n1)N1CCNCC1
CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1
O=C(COc1ccc2cc(Oc3ccccn3)ccc2n1)N1CCNC(=O)C1
NC(=O)CNC(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1
FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCCCC4)ccc3c2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCNCC4)ccc3c2)nc1
CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCNC(=O)C4)ccc3c2)nc1
O=C(N1CCNCC1)c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1
O=C(N1CCNCC1)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2n1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cc1
FC(F)(F)S(=O)(=O)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cc1
CC(=O)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cc1
CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccccn3)ccc2n1
Fc1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
FC(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
FC(F)(F)c1cccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)n1
FC(F)(F)c1ccnc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)c1
FC(F)(F)Oc1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1
FC(F)(F)c1cnc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cn1
FC(F)(F)C1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCOC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCC2)nc1
O[C@H]1C[C@H](C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |wU:1.0,3.5,(11.12,-1.96,;9.78,-1.19,;8.3,-1.59,;7.9,-.1,;9.38,.3,;6.56,.67,;5.23,-.1,;5.23,-1.64,;3.9,.67,;3.9,2.21,;2.56,2.98,;1.23,2.21,;-.11,2.98,;-1.44,2.21,;-2.77,2.98,;-4.11,2.21,;-4.11,.67,;-5.44,-.1,;-6.77,.67,;-6.77,2.21,;-5.44,2.98,;-8.11,-.1,;-9.44,-.87,;-7.34,-1.43,;-8.88,1.23,;-1.44,.67,;-.11,-.1,;1.23,.67,;2.56,-.1,)|
FC1CC(C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |(11.22,-4.94,;9.89,-4.17,;9.49,-2.68,;8,-3.08,;8.4,-4.57,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-6.67,-.77,;-5.33,,;-8,-3.08,;-9.34,-3.85,;-7.23,-4.41,;-8.77,-1.75,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,)|
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(F)(F)C2)nc1
CS(=O)(=O)CCNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC2)nc1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CC(F)(F)C2)nc1
CS(=O)(=O)C1CN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCCC2)nc1
F[C@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
F[C@@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2 |r,wD:17.17,19.20,(9.31,1.6,;8.54,.26,;9.31,-1.07,;10.08,.26,;7,.26,;5.97,1.41,;4.57,.78,;4.73,-.75,;6.23,-1.07,;3.23,1.55,;3.23,3.09,;1.9,3.86,;.57,3.09,;-.77,3.86,;-2.1,3.09,;-3.43,3.86,;-3.43,5.4,;-4.77,3.09,;-6.1,3.86,;-6.89,2.51,;-7.97,3.6,;-5.55,1.74,;-8.37,2.11,;-9.46,3.2,;-9.91,2.11,;-8.77,.62,;-2.1,1.55,;-.76,.78,;-.76,-.76,;-2.09,-1.53,;-3.43,-.76,;-3.43,.78,;-4.76,-1.54,;-4.75,-3.08,;-6.08,-3.86,;-7.41,-3.09,;-7.43,-1.56,;-6.1,-.78,;-8.75,-3.86,;-10.08,-3.09,;-8.75,-5.4,;-10.08,-4.63,;.57,1.55,;1.9,.78,;1.13,1.92,;2.14,1.47,)|
Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12
Cc1c(Cc2ccc(cc2)C(F)(F)F)c(=O)oc2cc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12
[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](NC(=O)CNC)[C@@H]3O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)NCCN)O2
COC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r|
NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3[C@@H](O)Cc4ccccc34)ncnc12 |r|
[H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)n1ccc2c(N[C@@]3([H])CCc4ccccc34)ncnc12 |r|
NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CCc4ccccc34)ncnc12 |r|
CC(C)(C)OC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r|
Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8|
Fc1ccc(N2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)c(F)c1
Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3
Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ccccc43)CC2)n1C
Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cccnc43)CC2)n1C
Cc1cnc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ncccc43)CC2)n1C
Cc1cnc(N2CCN(Cc3ccc4c5CCCCc5c(=O)[nH]c4c3)CC2)n1C
Cc1cnc(N2CCN(Cc3ccc4c5CCOCc5c(=O)[nH]c4c3)CC2)n1C
Cc1cnc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)n1C
CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C
CCc1cc2ccc(CN3CCN(CC3)c3ccc(F)cc3F)cc2[nH]c1=O
CCc1cc2ccc(CN3CCN(CC3)c3ccc(cc3)C(=O)NC)cc2[nH]c1=O
CCc1cc2ccc(CN3CCN(CC3)c3cnc(cn3)C(=O)NC)cc2[nH]c1=O
CCc1cc2ccc(CN3CCN(CC3)c3cnc(nc3)C(=O)NC)cc2[nH]c1=O
CCc1cc2ccc(CN3CCN(CC3)c3ccc(nn3)C(=O)NC)cc2[nH]c1=O
CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC
Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(nc3)C
C[C@@H](c1cn(nn1)-c1ccc(Cl)cc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:30.32,1.1,33.37,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
CCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
CCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
CCCCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
CCCCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCC(C)C)nc12 |r|
CC1CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1cc2OC(F)(F)Oc2cn1 |r,c:7|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(C)CC[C@@](C)(C#N)C(N)=N1 |r,c:26|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(CF)CC[C@@](C)(C#N)C(N)=N1 |r,c:27|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(CF)CC[C@](C)(C#N)C(N)=N1 |r,c:27|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@@]1(CC[C@@](C)(C#N)C(N)=N1)C(F)F |r,c:25|
CN(C)C(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1ccc(F)cn1 |r,c:12|
CN(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1ccc(F)cn1 |r,c:13|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(C)CC[C@](C)(C(N)=N1)S(C)(=O)=O |r,c:24|
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@](C)(C(N)=N1)S(=O)(=O)C(F)(F)F)c1cc(ccc1F)-c1cc2OC(F)(F)Oc2cn1 |r,c:7|
C[C@]1(CC[C@](CF)(C(N)=N1)S(C)(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:8|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(C[C@@H]1F)S(C)(=O)=O |r,t:22|
C[C@]1(CCC(F)(F)C(N)=N1)c1cc(ccc1F)-c1cnc(OCF)cn1 |r,c:8|
NC1=N[C@@](CF)(CCC1(F)F)c1cc(ccc1F)-c1cnc(OCF)cn1 |r,t:1|
C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)C(=O)N)Nc3ncc(cn3)Cl
C[C@H]1C[C@@H](Nc2ccc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cn3)C#N)c2c1)C(C)=O |r|
OC(=O)c1ccc2CC3(CC3)c3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.4,1.33,;-7.91,1.73,;-7.52,3.22,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-3.64,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-3.46,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,)|
COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
COC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sccc1C(=O)NC(=O)OC
Cc1ccnc(NC(=O)c2ccsc2NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)n1
CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Brc1ccc(cc1)-c1nc2ccc(Br)cn2n1
[#6]-[#6]-n1c2nc(-[#6])ccc2c2-[#8][C@@]([#6])([#6]-[#6]-[#8])[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c1=O |r|
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1
COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@](C)(N)[C@H](O)C1 |r|
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@H](N)[C@H](O)C1 |r|
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@H](N)[C@@H](O)C1 |r|
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@H](O)[C@@H](N)C1 |r|
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@H](O)[C@@H](N)C1 |r|
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@H](N)[C@@H](F)C1 |r|
COc1cc(F)ccc1-c1cnc2sc(nn12)N1C[C@H](N)[C@H](O)C1 |r|
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(N)(CO)C1
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)C1
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC(O)(CN)C1
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1
COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(N)(CO)CC1
CCOc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1
COc1cc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1
COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1
CCOc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C
CC(C)(N)CNc1nn2c(cnc2s1)-c1ccc(F)cc1F
Fc1ccc(NC(=O)C2(COC2)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
Fc1ccc(NC(=O)C2(COC2)c2ccc(cc2)-c2ccc(nc2)C2CC2)cc1
Fc1ccc(NC(=O)C2(COC2)c2ccc(cc2)-n2cnc(cc2=O)C2CC2)cc1
Fc1ccc(NC(=O)C2(COC2)c2ccc(cc2)-c2nc(no2)C2CC2)cc1
Cc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C1CC1
Cc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
OCc1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
OCc1cc(ncc1-c1ccc(cc1)C1(CCC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
OCc1cc(ncc1-c1ccc(cc1)C1(CC(F)(F)C1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
CC(C)(O)c1cc(ncc1-c1ccc(cc1)C1(COC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCNC(=O)OC(C)(C)C)c12)C(N)=O)C(N)=O
CCOc1ccc(cc1Cl)-c1cncnc1-c1cc(OC)c(OC)c(OC)c1
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
CC(C)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)cc1
CC(F)(F)c1cc(F)c(F)cc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)cc1
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2C(C)(F)F)ccc1NC1CN(CCCF)C1
CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)c(F)c1
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2cc(F)c(F)cc2C(C)(F)F)ccc1NC1CN(CCCF)C1
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2C(C)(F)F)ccc1OC1CN(CCCF)C1
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2C(C)(C)F)ccc1OC1CN(CCCF)C1
CC(F)(F)c1cc(F)c(F)cc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1
FCCCN1CC(C1)Oc1ccc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2CC(F)(F)F)cc1F
CC(C)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1
CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1
COc1ccc(cc1)[C@H]1CC(=O)c2cc(OC)cc(OC)c12 |r|
CN1CCN(CC1)c1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1
Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnc(nc1)N1CCNCC1
Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccc(nc1)N1CCNCC1
FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
CN1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1=O
CC(C)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1=O
Cc1onc(c1COc1ccc2C(=O)N(Cc3ccco3)CCc2n1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2C(=O)N(Cc3ccno3)CCc2n1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2C(=O)N(CC3CCCO3)CCc2n1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2C(=O)N(CCc2n1)C1CCOC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2C(=O)N(CC3CCCS3(=O)=O)CCc2n1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2C(=O)N(CCS(C)(=O)=O)CCc2n1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1
CC(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCOC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCOCC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCS(=O)(=O)CC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CCS(C)(=O)=O)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)c1ccno1)-c1ccc(F)cc1
CN(C)C(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCCC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCCCC1)-c1ccc(F)cc1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCOCC1)-c1ccc(F)cc1
Cc1nnn(c1COc1ccc2C(=O)N(CCS(C)(=O)=O)CCc2n1)-c1ccc(F)cc1
CN1CC(CC1=O)NC(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1
CN1CC(CC1=O)C(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1
Cc1nnn(c1COc1ccc2CN(CCc2n1)C(=O)NC1CCOC1)-c1ccc(F)cc1
Cc1nnn(c1COc1ccc2CN(CCc2n1)C(=O)C1CCOC1)-c1ccc(F)cc1
Cc1nnn(c1COc1ccc2CN(CCc2n1)C(=O)C1CCCO1)-c1ccc(F)cc1
CC(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1
CC(=O)N1Cc2ccc(OCc3c(C)nnn3-c3ccc(F)cc3)nc2C1
Cc1onc(c1COc1ccc2C(=O)NCCc2n1)-c1ccc(F)cc1
Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br
Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O |t:10,16|
[H][C@@]12CN(c3cc(OC)c(cc3NC(=O)C#CC)-c3cc4n(CC)c(=O)c(cc4cn3)-c3c(Cl)c(OC)cc(OC)c3Cl)[C@@]([H])(CO1)C2 |r,wU:43.47,1.0,(-10.43,2.76,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-3.99,3.85,;-2.66,3.08,;-1.33,3.85,;0,3.08,;-2.66,1.54,;-3.99,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,-1.54,;-9.34,-2.3,;-10.68,-3.06,;-1.33,.77,;0,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4.01,3.85,;4.01,.77,;5.34,1.54,;4.01,-.77,;2.67,-1.54,;1.33,-.77,;0,-1.54,;-1.33,-.77,;5.34,-1.54,;6.67,-.77,;6.67,.77,;8.01,-1.54,;9.34,-.77,;10.68,-1.54,;8.01,-3.08,;6.67,-3.85,;6.67,-5.39,;8.01,-6.16,;5.34,-3.08,;4.01,-3.85,;-6.67,5.39,;-5.33,6.16,;-8,6.16,;-9.34,5.39,;-8.24,4.94,)|
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)ncc2c1 |r|
C[C@H](NC(=O)c1c(Cc2cccc(c2)C(F)(F)F)sc2COCCc12)c1ccc(cc1)C(O)=O |r|
OC(=O)c1ccc(CNC(=O)c2c(Cc3ccc(F)cc3)sc3COCCc23)cc1
Cn1c(CN2CCC(CC2)c2nc(OCc3ccc(Cl)cc3F)ncc2F)nc2ccccc12
Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccncc12
Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2nccc(NCC(O)=O)c12
Cn1c(CN2CCC(CC2)c2cccc(OCc3ccc(Cl)cc3F)n2)nc2ccc(nc12)C(O)=O
c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O
C[C@@H](OC(=O)C1=C(C)NC(C)=C(C1c1ccc2n(C)ncc2c1)C(=O)O[C@H](C)c1ccccc1)c1ccccc1 |r,c:5,10|
CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
COc1ccc(cc1)N=C(/N)CC(O)c1cc2c(F)cc(F)cc2c2cc(ccc12)C(F)(F)F
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccccc2[nH]c1=O |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccccc2n(C)c1=O |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cn(C)c2ccccc2c1=O |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cnc2ccccc2c1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2ncccc2c1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3cnccc3c2)CC1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3ccncc3c2)CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nccnc2c1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)C1=CC2SC=NC2C=C1 |r,c:34,38,t:30|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)C1=CC2OC=NC2C=C1 |r,c:34,38,t:30|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nn(C)cc2c1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2n(C)c(=O)ccc2c1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2c(ccn(C)c2=O)c1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc([nH]c2=O)-c2ccccc2)CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc(cc1)-c1ccncc1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc(cc1)-c1cccnc1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc(cc1)-c1cnccn1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(C)ccc2c1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(CC)ccc2c1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)C1CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(OC)ccc2c1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)N1CCCC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)-c1ncco1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)-n1cccn1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2cccnc2cc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccc(C)nc3cc2OC)CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC1)C(C)C)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC1)C1CCC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(nc2cc1OC)C1CC1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccc(=O)n(C)c3cc2OC)CC1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3cn(C)nc3cc2OC)CC1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3nccnc3cc2OC)CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccncc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1F |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1Cl |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1CC |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc(o1)-c1cc2cccnc2cc1OC |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccncc3nc2OC)CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc(o1)-c1cc2ccc(C)nc2cc1OC |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccc(C)nc3cc2OC)CC1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccc(=O)n(C)c3cc2OC)CC1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3cccnc3nc2OC)CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc(o1)-c1cc2ccc(C)nc2cc1F |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc(o1)-c1cc2ccc(nc2cc1F)C1CC1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3cn(C)nc3cc2OC)CC1 |r|
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc(o1)-c1ccc(cc1)-c1cccnc1 |r|
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccn(CC)c(=O)c3cc2OC)CC1 |r|
C[C@@H]1Cc2cc(cnc2N1)C(N)=O |r|
C[C@@H]1c2cc(c(cc2C=CN(C1=O)C)OC)OC
C[C@@H]1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)[C@H](CO)O
Clc1cccc(CN2CC[C@H](CCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1 |r|
N#Cc1ccc-2cc1Oc1ccc3CCC[C@@H](N4CC[C@H](C4)NCc4cncn-24)c3c1 |r|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1cccc(c1)C(O)=O |t:29,(-1.52,4.75,;-1.52,3.21,;-2.85,2.44,;-2.85,.9,;-4.19,.13,;-5.52,.9,;-6.85,.13,;-8.26,.75,;-9.29,-.39,;-8.52,-1.72,;-7.01,-1.4,;-5.93,-2.49,;-4.44,-2.09,;-4.04,-.61,;-3.35,-3.18,;-3.75,-4.67,;-5.23,-5.07,;-6.33,-3.99,;-7.81,-4.38,;-8.66,2.24,;-8.26,3.73,;-9.75,3.33,;-1.51,.14,;-.19,.9,;-.19,2.45,;1.15,3.22,;1.31,4.75,;2.81,5.07,;3.58,3.73,;2.55,2.59,;5.12,3.73,;5.89,5.07,;7.43,5.07,;8.2,3.73,;7.44,2.4,;5.9,2.4,;8.21,1.07,;9.75,1.07,;7.44,-.26,)|
CC(C)n1nc(cc1C1CC(=NO1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1C)C(O)=O |c:11,(3.94,5.62,;5.42,5.22,;6.51,6.31,;5.82,3.74,;7.29,3.26,;7.29,1.72,;5.82,1.24,;4.92,2.49,;3.38,2.49,;2.35,1.35,;.94,1.97,;1.1,3.5,;2.61,3.82,;-.4,1.2,;-.4,-.34,;-1.72,-1.11,;-3.06,-.35,;-4.39,-1.12,;-5.73,-.35,;-7.06,-1.12,;-8.47,-.49,;-9.5,-1.63,;-8.73,-2.97,;-7.22,-2.65,;-6.13,-3.74,;-4.64,-3.34,;-4.25,-1.85,;-3.56,-4.42,;-3.96,-5.91,;-5.44,-6.31,;-6.53,-5.23,;-8.02,-5.63,;-8.86,1,;-8.47,2.49,;-9.95,2.09,;-3.06,1.2,;-1.72,1.97,;-1.72,3.51,;8.62,.95,;9.95,1.72,;8.62,-.59,)|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1cc(ccn1)C(O)=O |t:29,(-1.52,4.75,;-1.52,3.21,;-2.85,2.44,;-2.85,.9,;-4.19,.13,;-5.52,.9,;-6.85,.13,;-8.26,.75,;-9.29,-.39,;-8.52,-1.72,;-7.01,-1.4,;-5.93,-2.49,;-4.44,-2.09,;-4.04,-.61,;-3.35,-3.18,;-3.75,-4.67,;-5.23,-5.07,;-6.33,-3.99,;-7.81,-4.38,;-8.66,2.24,;-8.26,3.73,;-9.75,3.33,;-1.51,.14,;-.19,.9,;-.19,2.45,;1.15,3.22,;1.31,4.75,;2.81,5.07,;3.58,3.73,;2.55,2.59,;5.12,3.73,;5.9,2.4,;7.44,2.4,;8.2,3.73,;7.43,5.07,;5.89,5.07,;8.21,1.07,;9.75,1.07,;7.44,-.26,)|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1cc(nn1C)C(O)=O |t:29,(-1.72,4.06,;-1.72,2.52,;-3.06,1.75,;-3.06,.2,;-4.39,-.57,;-5.73,.2,;-7.06,-.57,;-8.47,.05,;-9.5,-1.09,;-8.73,-2.42,;-7.22,-2.1,;-6.13,-3.19,;-4.64,-2.79,;-4.25,-1.31,;-3.56,-3.88,;-3.96,-5.37,;-5.44,-5.77,;-6.53,-4.69,;-8.02,-5.08,;-8.87,1.54,;-8.47,3.03,;-9.95,2.63,;-1.72,-.56,;-.4,.21,;-.4,1.75,;.94,2.52,;1.1,4.05,;2.61,4.37,;3.38,3.03,;2.35,1.89,;4.92,3.03,;5.82,1.79,;7.29,2.27,;7.29,3.8,;5.82,4.28,;5.42,5.77,;8.62,1.5,;9.95,2.27,;8.62,-.04,)|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1ccc(nc1)C(O)=O |t:29,(-1.9,4.75,;-1.9,3.21,;-3.23,2.44,;-3.23,.9,;-4.57,.13,;-5.9,.9,;-7.24,.13,;-8.64,.75,;-9.67,-.39,;-8.9,-1.72,;-7.4,-1.4,;-6.31,-2.49,;-4.82,-2.09,;-4.42,-.61,;-3.73,-3.18,;-4.13,-4.67,;-5.61,-5.07,;-6.71,-3.99,;-8.19,-4.38,;-9.04,2.24,;-8.64,3.73,;-10.13,3.33,;-1.9,.14,;-.57,.9,;-.57,2.45,;.76,3.22,;.92,4.75,;2.43,5.07,;3.2,3.73,;2.17,2.59,;4.74,3.73,;5.51,5.07,;7.05,5.07,;7.82,3.73,;7.05,2.39,;5.51,2.39,;9.36,3.73,;10.13,2.4,;10.13,5.07,)|
CCn1nc(cc1C1CC(=NO1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1C)C(O)=O |c:10,(3.94,5.97,;5.42,5.57,;5.82,4.08,;7.29,3.6,;7.29,2.07,;5.82,1.59,;4.92,2.84,;3.38,2.84,;2.35,1.69,;.94,2.32,;1.1,3.85,;2.61,4.17,;-.4,1.55,;-.4,.01,;-1.72,-.76,;-3.06,-0,;-4.39,-.77,;-5.73,-0,;-7.06,-.77,;-8.47,-.14,;-9.5,-1.29,;-8.73,-2.62,;-7.22,-2.3,;-6.13,-3.39,;-4.64,-2.99,;-4.25,-1.51,;-3.56,-4.08,;-3.96,-5.57,;-5.44,-5.97,;-6.53,-4.88,;-8.02,-5.28,;-8.86,1.34,;-8.47,2.83,;-9.95,2.43,;-3.06,1.55,;-1.72,2.32,;-1.72,3.86,;8.62,1.3,;8.62,-.24,;9.95,2.07,)|
CC[C@](C)(O)C#Cc1cc2n(ncc2cn1)-c1ccnc(N)n1 |r|
CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1ccnc(N)n1 |r|
CC[C@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r|
Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:20.22,7.7,(-2.02,4.63,;-2.02,3.09,;-3.36,2.33,;-3.36,.79,;-2.02,0,;-.7,.79,;-.7,2.33,;-2.02,-1.55,;-.67,-2.32,;-.67,-3.86,;-2.02,-4.63,;-3.36,-3.86,;-4.7,-4.63,;-6.02,-3.86,;-6.02,-2.32,;-4.7,-1.55,;-3.36,-2.32,;.67,-1.52,;.67,.03,;2.02,-2.31,;3.35,-1.51,;4.7,-2.29,;6.01,-1.5,;6.02,.06,;4.67,.81,;3.32,.06,;4.86,-.09,;4.48,-1.34,)|
Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C1=NC[C@@H](O1)C1CN2CCC1CC2 |r,wD:7.7,20.25,t:20,(2.63,-4.63,;2.63,-3.09,;3.96,-2.33,;3.96,-.79,;2.63,-0,;1.3,-.79,;1.3,-2.33,;2.63,1.55,;1.28,2.32,;1.28,3.86,;2.63,4.63,;3.96,3.86,;5.3,4.63,;6.63,3.86,;6.63,2.32,;5.3,1.55,;3.96,2.32,;-.06,1.53,;-.05,-.01,;-1.54,-.5,;-2.43,.72,;-1.53,1.97,;-3.97,.72,;-5.39,1.37,;-6.63,.45,;-6.49,-1.1,;-5.07,-1.72,;-3.8,-.84,;-5.34,-.84,;-5.09,.44,)|
Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C1=NC[C@H](O1)C1CN2CCC1CC2 |r,wU:20.25,wD:7.7,t:20,(2.63,-4.63,;2.63,-3.09,;3.96,-2.33,;3.96,-.79,;2.63,-0,;1.3,-.79,;1.3,-2.33,;2.63,1.55,;1.28,2.32,;1.28,3.86,;2.63,4.63,;3.96,3.86,;5.3,4.63,;6.63,3.86,;6.63,2.32,;5.3,1.55,;3.96,2.32,;-.06,1.53,;-.05,-.01,;-1.54,-.5,;-2.43,.72,;-1.53,1.97,;-3.97,.72,;-5.39,1.37,;-6.63,.45,;-6.49,-1.1,;-5.07,-1.72,;-3.8,-.84,;-5.34,-.84,;-5.09,.44,)|
Fc1ccc(cc1)[C@@H]1N(CCc2ccccc12)C1=NC[C@@]2(CCNC2)O1 |r,t:20|
CN1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:6|
CN1CC[C@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:6|
N[C@@H]1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:6|
CN(C)[C@H]1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:8|
CN(C)[C@H]1CC[C@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:8|
CN(C)[C@H]1C[C@]2(C1)CN=C(O2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,wU:5.7,3.2,wD:20.24,c:9,(-6.19,-1.76,;-5.79,-.27,;-6.88,.82,;-4.3,.13,;-3.52,1.49,;-2.18,.72,;-2.97,-.64,;-1.29,-.49,;.2,-.01,;.19,1.53,;-1.28,1.97,;1.53,2.32,;1.53,3.86,;2.88,4.63,;4.21,3.86,;5.55,4.63,;6.88,3.86,;6.88,2.32,;5.55,1.55,;4.21,2.32,;2.88,1.55,;2.88,-0,;4.21,-.79,;4.21,-2.33,;2.88,-3.09,;2.88,-4.63,;1.56,-2.33,;1.56,-.79,)|
OCCN1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:8|
OCCCN1CC[C@@]2(CN=C(O2)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)C1 |r,c:9|
[H][C@]12CNC[C@@]1([H])OC(=NC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:9|
[H][C@@]12CNC[C@]1([H])N=C(OC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:8|
[H][C@@]12CNCC[C@@]1([H])OC(=NC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
[H][C@@]12CNCC[C@]1([H])OC(=NC2)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
[H][C@]1(CCNC1)[C@@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
[H][C@@]1(CCNC1)[C@@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
[H][C@@]1(CCNC1)[C@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
[H][C@]1(CCNC1)[C@]1([H])CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 |r,c:10|
[H][C@@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1CNC1 |r,c:3|
[H][C@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1CNC1 |r,c:3|
[H][C@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:3|
[H][C@@]1(CN=C(O1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:3|
[H][C@@]1(COC(=N1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:4|
[H][C@]1(COC(=N1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1)C1(F)CNC1 |r,c:4|
Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC
[H][C@@]12COc3cc4nc(C)nc(N[C@H](C)c5cccc(C(F)F)c5F)c4cc3N1CCN(C2)C(=O)[C@H]1CCOC1 |r|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.62,-12.01,;10.09,-11.52,;11.34,-12.43,;12.58,-11.52,;12.1,-10.05,;10.56,-10.06,;9.66,-8.81,;9.89,-7.29,;8.37,-7.05,;8.13,-8.58,;8.77,-5.56,;7.27,-5.16,;6.88,-6.65,;6.5,-3.83,;7.27,-2.49,;4.96,-3.83,;4.19,-2.5,;14.04,-11.99,;15.18,-10.95,;16.64,-11.42,;16.97,-12.93,;18.31,-13.69,;19.71,-13.06,;18,-15.2,;16.47,-15.37,;15.84,-13.97,;14.37,-13.49,;11.35,-13.97,;10.02,-14.74,;8.69,-13.97,;10.02,-16.28,;8.69,-17.05,;11.35,-17.05,;12.69,-16.27,;14.15,-16.75,;15.06,-15.5,;14.15,-14.25,;12.69,-14.73,)|
NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1
FC(F)(F)c1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1
Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2C)cc1
Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2CC2CCCCC2)cc1
Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(nc2)C(F)(F)F)cc1
FC(F)(F)c1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3[nH]2)cc1
Cn1c(NC2CCN(CCc3ccc(cc3)-c3nc(no3)C(F)(F)F)CC2)nc2ccccc12
Cc1noc(n1)-c1ccc(CCN2CC[C@H](C2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1 |r|
Cn1c(NC2CCN(CCc3ccc(cc3)-c3nc(no3)C(C)(C)C)CC2)nc2ccccc12
Cn1c(NC2CCN(CCc3ccc(cc3)-c3nc(no3)C(O)=O)CC2)nc2ccccc12
Cn1c(NC2CCN(CCc3ccc(cc3)C(=O)NC3(CO)CC3)CC2)nc2ccccc12
Cn1c(NC2CCN(CCc3ccc(cc3)C(=O)N3CCNCC3)CC2)nc2ccccc12
COC(=O)c1ccc2n(C)c(NC3CCN(CCc4ccc(cc4)-c4nc(C)no4)CC3)nc2c1
Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3cc(F)ccc3n2C)cc1
CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
OC1N(Cc2cccc(c2)C(O)=O)CN(C2CCCCC2)C11CCN(CCCC(=O)c2ccccc2)CC1
N[C@@H](Cc1cc(Cl)c(Cl)cc1Cl)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|
[H][C@]12CCC[C@@]1([H])[C@@H](C#N)N(C2)C(=O)[C@@H](N)Cc1cc(F)c(F)cc1F |r|
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)B2NC=CC=C2)CC1 |c:29,31|
FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)B1NC=CC=C1 |c:28,30|
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CC1
O=C(Cc1ccc(cc1)B1NC=CC=C1)Nc1cc([nH]n1)C1CC1 |c:12,14|
CCC(=O)CCCCC[C@H](NC(=O)Cn1ccnn1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)C1CNC(=O)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)C1(F)CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2[nH]c1=O |r|
Cc1cncn1CCCNC(=O)N(CC1CCCC1)c1ccc2c(C)n[nH]c2c1
Cc1cncn1CCCNC(=O)N(Cc1ccc(F)cc1)c1ccc2c(C)n[nH]c2c1
Cc1cncn1CCCNC(=O)N(C1CCCCC1)c1ccc2c(C)n[nH]c2c1
Cc1cncn1CCCNC(=O)N(CC1CCCC1)c1ccc2c(C)nn(C)c2c1
CN1CCC(CC1)N(C(=O)NCCCn1cncc1C)c1ccc2c(C)nn(C)c2c1
Cc1cncn1CCCNC(=O)N(Cc1ccc(F)cc1)c1ccc2[nH]nc(C)c2c1
Cc1cncn1CCCNC(=O)N(C1CCCCC1)c1ccc2[nH]nc(C)c2c1
Cc1cncn1CCCNC(=O)N(CC1CCCC1)c1ccc2n(C)nc(C)c2c1
Cc1cncn1CCCNC(=O)N(Cc1ccc(F)cc1)c1ccc2n(C)nc(C)c2c1
Cc1cncn1CCCNC(=O)N(Cc1cccnc1)c1ccc2n(C)nc(C)c2c1
Cc1cncn1CCCNC(=O)N(C1CCCCC1)c1ccc2n(C)nc(C)c2c1
Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)C1CCCN(C1)C(=O)C=C |(1.27,.34,;-.06,1.11,;-1.42,.4,;-2.51,1.49,;-1.78,2.89,;-2.31,4.29,;-1.36,5.45,;.12,5.21,;1.21,6.3,;.66,3.81,;-.3,2.64,;-1.82,-1.08,;-.94,-2.3,;-1.86,-3.55,;-3.32,-3.09,;-3.32,-1.55,;-4.66,-.78,;-4.66,.76,;-5.99,-1.55,;-5.99,-3.09,;-4.66,-3.86,;-4.66,-5.4,;.6,-2.3,;1.37,-.97,;2.91,-.97,;3.68,-2.3,;2.91,-3.64,;1.37,-3.64,;3.68,-4.97,;2.91,-6.3,;5.22,-4.97,;5.99,-6.3,)|
Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)C1CCN(CC1)C(=O)C=C |(.5,-.11,;-.83,.66,;-2.19,-.05,;-3.28,1.04,;-2.55,2.43,;-3.08,3.84,;-2.13,5,;-.65,4.76,;.44,5.85,;-.11,3.36,;-1.07,2.19,;-2.59,-1.53,;-1.71,-2.75,;-2.63,-4,;-4.09,-3.54,;-4.09,-2,;-5.43,-1.23,;-5.43,.31,;-6.76,-2,;-6.76,-3.54,;-5.43,-4.31,;-5.43,-5.85,;-.17,-2.75,;.6,-1.42,;2.14,-1.42,;2.91,-2.75,;2.14,-4.09,;.6,-4.09,;4.45,-2.75,;5.22,-4.09,;5.22,-1.42,;6.76,-1.42,)|
CCc1nc(C)n(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
CCc1nc(C)nn1CC(=O)N1CCN(C[C@H]1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc(C)n1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1ncnc1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
CCc1ncn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
CCc1ncnn1CC(=O)N1CCN(C[C@H]1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
CCc1nncn1CC(=O)N1CCN(C[C@H]1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C(F)(F)F)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C#N)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C(N)=O)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
COCc1ncn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
C[C@@H]1CN(CCN1C(=O)Cn1cnc(CO)n1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
CC(O)c1ncn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
C[C@@H]1CN(CCN1C(=O)Cn1ccc(C)n1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r|
Cc1ncn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
CCc1ncn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
OC[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Cc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
CCc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
CCc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
OCC[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Cc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
CCc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Cc1ncn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
CCc1ncn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
CC(C)c1ncn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Cc1ccn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Cc1ncn(CC(=O)N2CCN(C[C@@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
CCc1ncn(CC(=O)N2CCN(C[C@@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
CC(C)c1ncn(CC(=O)N2CCN(C[C@@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
Cc1ccn(CC(=O)N2CCN(C[C@@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r|
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)cc(OC)c1
COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)nc(OC)n1
COc1ncccc1-c1noc(n1)-c1nnn(Cc2ccc(CN3CCOCC3)cc2)c1N
Cc1noc(C)c1-c1noc(n1)-c1nnn(Cc2ccc(CN3CCOCC3)cc2)c1N
Nc1c(nnn1Cc1ccc(CN2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1
Nc1c(nnn1Cc1ccc(CN2CCOCC2)cc1)C(=O)Nc1cccc(F)c1
COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)ccn1
COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)ncn1
COc1ccc(F)c(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)c1
COc1cccc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)c1
COc1ccccc1-c1noc(n1)-c1nnn(Cc2ccc(CN3CCOCC3)cc2)c1N
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(OC3CCN(CC3)C(=O)C=C)cc12 |r|
Fc1c(Cl)cccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(OC3CCN(CC3)C(=O)C=C)cc12 |r|
OC(=O)c1c(Nc2cccc(F)c2)[nH]c2cc(Cl)ccc2c1=O
CSc1c(C#N)c(=O)c2ccc(F)cc2n1-c1c(Cl)cccc1Cl |(4.67,-.77,;3.33,0,;2,-.77,;2,-2.31,;3.33,-3.08,;4.67,-3.85,;.66,-3.08,;.66,-4.62,;-.67,-2.31,;-1.99,-3.08,;-3.33,-2.31,;-3.33,-.77,;-4.67,0,;-2,0,;-.67,-.77,;.66,0,;.66,1.54,;-.67,2.31,;-2,1.54,;-.67,3.85,;.67,4.62,;2,3.85,;2,2.32,;3.34,1.55,)|
Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,-1.54,;2,-2.31,;2,-3.85,;.66,-4.62,;.66,-6.16,;-.67,-3.85,;-2,-4.62,;-2,-6.16,;-3.33,-3.86,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;.66,-1.54,;.66,0,;-.67,.77,;-2.01,0,;-.67,2.31,;.66,3.08,;1.99,2.31,;2,.78,;3.33,.01,;.66,4.62,;.66,6.16,)|
OC[C@@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)|
OC[C@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-4.27,-7.27,;-4.67,-5.78,;-3.33,-5.01,;-2.25,-6.1,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,1.92,;-2,3.46,;-.67,1.15,;.67,1.92,;2,1.15,;3.33,1.92,;4.67,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-.39,;.67,4.19,;-.67,4.96,;-2,4.19,;-.67,6.5,;.67,7.27,;2,6.5,;2,4.96,;3.33,4.19,)|
Fc1cc(Cc2cc(ccn2)-n2ncc3c2CCNC3=O)cc(c1)C(F)(F)F
[H][C@@]1(CC(O)=O)N(C(=Nc2c(F)cccc12)N1CCN(CC1)c1cccc(OC)c1)c1cc(ccc1OC)C(F)(F)F |r,c:7|
CN(CC(O)c1ccc(O)cc1)Cc1sc2c(c1C)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)sc12
OCCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
CC1(C)CN(C1)C(=O)Cn1c2ncccc2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
CC1(C)CN(C(=O)[C@@H]2CN(C(=O)C2)c2cccc(c2)C#N)c2cc(Cl)c(Cn3ccnc3)cc12 |r|
NCCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
CS(=O)(=O)NCCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
NS(=O)(=O)NCCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
NCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
CC(=O)NCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
CS(=O)(=O)NCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
NS(=O)(=O)NCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
NCC(=O)NCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
OC(=O)Cc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O
CC(C)C(Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1)C(C)C
CCCC(CCC)Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1
CCCOc1c(CCC)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
CCCOc1c(CCC)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1
Cc1ccc(NC(=O)Nc2cc(cc3[C@H](c4ccccc4)C(Oc23)(C=C)C=C)-c2ccccc2-c2nn[nH]n2)cc1 |r|
Cc1ccc(NC(=O)Nc2cc(cc3C(C=CCOc23)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1 |c:15|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@]12CCN(C[C@@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
[H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)n1ccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccn(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nnc(C)s1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cnsn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1csc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nccs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(Cl)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
[H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(cs1)C(F)(F)F)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|
CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc(C)[nH]c12)ccc3O
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12 |r|
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CC(C)(O)Cn1cc(cn1)-c1cnc2Nc3ccc(C#N)c(CCCCOc4ccccc4[C@@H](CO)Nc1n2)c3 |r|
CCNC(=O)c1ccc2n(C3CCN(C[C@@H](O)c4ccc(Cl)cc4)CC3)c(=O)[nH]c2c1 |r|
CCNC(=O)c1ccc2n(C3CCN(CC4(O)CCCCC4)CC3)c(=O)[nH]c2c1
CCNC(=O)c1ccc2n(C3CCN(CC4(O)CCCCC4)CC3)c(C)nc2c1
CCNC(=O)c1ccc2c(c1)nc(n2[C@H]3CCN(C[C@@H]3C)CC4(CCCCC4)O)C
CCNC(=O)c1ccc2n([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(nc2c1)C(F)F |r|
CCNC(=O)c1ccc2n([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(nc2c1)-c1cccn(C)c1=O |r|
CCNC(=O)c1ccc2c(C3CCN(CC4(O)CCCCC4)CC3)c(C)nn2c1
CCNC(=O)c1ccc2c(C3CCN(CC4(O)CCCCC4)CC3)c(nn2c1)-c1cccn(C)c1=O
CCNC(=O)c1ccc2c(C3CCN(C[C@]4(O)C5CC6CC(C5)CC4C6)CC3)c(C)nn2c1 |r,wU:15.15,TLB:14:15:18:21.22.20,16:15:18.19.25:23.21.22,THB:14:15:18.19.25:23.21.22,23:24:18:21.22.20,23:21:18:15.25.24,20:19:15:23.21.22,20:21:15:18.19.25,(-1.93,-8.54,;-2.93,-7.38,;-2.43,-5.92,;-3.44,-4.76,;-4.95,-5.05,;-2.94,-3.3,;-1.42,-3.01,;-.92,-1.56,;-1.92,-.39,;-1.75,1.13,;-.4,1.87,;.91,1.08,;2.28,1.82,;2.28,3.35,;3.62,4.11,;3.62,5.65,;4.95,6.42,;2.14,5.35,;1.13,4.19,;1.42,5.89,;.64,7.12,;1.5,8.26,;1.31,6.67,;2.97,8.54,;3.79,7.27,;2.81,6.21,;.97,4.15,;-.4,3.4,;-3.13,1.8,;-3.41,3.31,;-4.19,.67,;-3.44,-.68,;-3.95,-2.14,)|
CCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(C)nn2c1 |r|
CCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCOCC4)C[C@@H]3C)c(C)nn2c1 |r|
C[C@H]1CN(CC2(O)CCOCC2)CC[C@@H]1c1c(C)nn2cc(ccc12)C(=O)NCC1CC1 |r|
COC1(CN2CC[C@@H]([C@@H](C)C2)c2c(C)nn3cc(ccc23)C(=O)NCC2CC2)CCOCC1 |r|
Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C
Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1 |r|
Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3cccnc23)s1 |r|
Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 |r|
Cc1ccc(nc1)[C@H]2C[C@@H]2COc3cc(nc(n3)C)NCc4nnc(s4)C
Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4cccc(Cl)c34)c2)c(Cl)c1
Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(=O)C(F)F
FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2)nn1
FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncco2)nn1
FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ccccn2)nn1
FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncccn2)nn1
FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncccn2)nn1
Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1
Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)nc1
Cc1cnc(OCc2cn(nn2)-c2cccc(c2)C(F)F)nc1
FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(cn2)N2CCC2)nn1
CC(C)(O)c1cnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)nc1
Cc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1
CNc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1
FC(F)Oc1cc(ccc1F)-n1cc(COc2nccc(n2)N2CC(F)C2)nn1
Nc1nc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)ncc1F
COCc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1
COc1ccc2nc(N[C@H]3CCN(C3)C(=O)Cc3cc(F)cc(F)c3)ccc2c1 |r|
Cc1nc(N[C@H]2CCN(C2)C(=O)Cc2ccc(F)cc2)ccc1-c1nc(n(C)n1)C(F)(F)F |r|
COc1cc([C@@H](C)C(=O)N2CC[C@@H](C2)Nc2ccc(-c3nc(C(F)F)n(C)n3)c(C)n2)c(F)cn1 |r|
COc1cc([C@@H](C)C(=O)N2CC[C@@H](C2)Nc2ccc(-c3n[nH]c(n3)C(F)F)c(C)n2)c(F)cn1 |r|
COc1cc([C@@H](C)C(=O)N2CC[C@]3(C2)COc2cc(c(C)nc2N3)-c2ncccn2)c(F)cn1 |r|
CN1C(=O)c2ccc(Cl)cc2N2C(=O)CC[C@]12C(=O)Nc1cncc(Cl)c1 |r|
[H][C@]12CN(CC(C)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OCC)C2 |r,c:21,t:18|
[H][C@]12CN(C(=O)N1CCN(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OC)C2)c1ccc(cc1)C(O)=O |r,c:15,t:12|
[H][C@]12CN(CC(C)(C)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](N=C(N1)c1nccs1)c1cccc(F)c1Cl)C(=O)OCC)C2 |r,c:22,t:19|
[H][C@]12CN(CC(C)(C)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OC)C2 |r,c:22,t:19|
[H][C@]12CN(CC3(CC3)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OC)C2 |r,c:23,t:20|
[H][C@]12CN(CC3(CCC3)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OC)C2 |r,c:24,t:21|
[H][C@]12CN(C3CCC(CC3)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OC)C2 |r,wD:1.0,22.34,c:25,t:22,(.21,-1.37,;-1.2,-1.99,;-.04,-3.06,;-.66,-4.43,;.11,-5.76,;-.66,-7.1,;.11,-8.43,;1.65,-8.43,;2.42,-7.1,;1.65,-5.76,;2.42,-9.76,;1.65,-11.1,;3.96,-9.76,;-2.2,-4.26,;-3.29,-5.35,;-2.53,-2.77,;-3.87,-2,;-3.87,-.46,;-2.54,.31,;-2.54,1.85,;-1.22,2.62,;-1.22,4.16,;.12,4.94,;1.45,4.17,;1.45,2.63,;.12,1.86,;2.79,1.86,;2.95,.33,;4.45,.01,;5.22,1.34,;4.19,2.49,;.12,6.48,;-1.22,7.24,;-1.22,8.79,;.11,9.56,;.11,11.1,;1.44,8.79,;1.44,7.25,;2.78,6.48,;-2.56,4.93,;-2.56,6.47,;-3.89,4.16,;-5.22,4.93,;-1.2,-.45,)|
[H][C@]12CN(C3CC3)C(=O)N1C[C@@H](N(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OCC)C2)C(O)=O |r,c:19,t:16|
[H][C@]12CN(C(=O)N1C[C@@H](N(CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OCC)C2)C(O)=O)C(C)(C)C |r,c:15,t:12|
[H][C@]12CN(C)C(=O)N1C[C@@H](N(CC1=C([C@@H](N=C(N1)c1nccs1)c1cccc(F)c1Cl)C(=O)OCC)C2)C(O)=O |r,c:16,t:13|
C[C@H](NC(=O)c1c(Nc2cccc(c2)C(F)(F)F)c2ccccc2n1C)c1ccc(cc1)C(O)=O |r|
O=C1OC(CCNCC2Cc3cccc(C#N)c3C2)CN1c1ccc2OCC(=O)Nc2n1
Fc1ccc(CNc2ccc3c(C4CCCC4)c(C#N)c(=O)n(CC4CCCC4)c3c2)nc1
CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2C1 |r,wU:20.19,23.23,(7.99,.77,;7.99,-.77,;9.33,-1.54,;9.33,0,;6.66,-1.54,;5.33,-.77,;5.33,.77,;3.99,-1.54,;3.99,-3.06,;2.68,-3.84,;1.34,-3.07,;.02,-3.85,;-1.32,-3.08,;-2.66,-3.85,;-3.99,-3.08,;-5.32,-3.85,;-6.66,-3.08,;-6.66,-1.54,;-5.32,-.77,;-5.32,.77,;-3.99,1.54,;-2.65,.77,;-1.32,1.54,;-1.32,3.08,;.01,3.85,;-2.65,3.85,;-3.99,3.08,;-3.99,-1.54,;-7.99,-.77,;-7.99,.77,;-9.33,-0,;-9.33,-1.54,;-1.32,-1.54,;.01,-.77,;1.34,-1.54,;2.66,-.77,)|
Cc1cc(on1)-c1cnc(C)nc1C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CC(C)c1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
Cc1cc(on1)-c1cnc(nc1C1CCN(CC(=O)N2CCOCC2)CC1)C1CC1
Cc1cc(on1)-c1cnc(nc1C1CCN(CC(=O)N2CCOCC2)CC1)C(F)(F)F
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCC3(CCOC3)CC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCN(C)CC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CCC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CCN2CCOCC2)CC1
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(cc1F)N1CCC2(CCN(CC2)C(=O)CN2Cc3cc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4cc3C2)CC1 |r|
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC |r|
CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)c5c(cccn5)F
N#Cc1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
CC(C)(c1ccc(OC[C@H](O)CCl)cc1)c1ccc(OCC2CCN(CC3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)cc1 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1Cl |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1Br |r|
CN(C)c1ccc(cc1)C(=O)Nc1ccc(c2OCOc12)-c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
CCOc1ccc(cc1F)[C@H]1CC(=O)c2cc(OC)c(OC)c(OC)c12 |r|
Fc1ccc(F)c(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1
CCC(=O)N1CCc2nc(Nc3ccc(cc3)C#N)nc(Oc3c(C)cc(cc3C)C#N)c2C1
CCS(=O)(=O)Nc1cc(-c2c(C)nn(C)c2C)c(F)c(c1)-c1ccnc2nc[nH]c12 |(-6.58,2.24,;-5.25,3.01,;-3.91,2.24,;-4.68,.9,;-3.14,.9,;-2.58,3.01,;-1.24,2.24,;-1.24,.7,;.09,-.07,;.09,-1.61,;1.33,-2.52,;2.82,-2.12,;.86,-3.98,;-.68,-3.98,;-1.45,-5.31,;-1.16,-2.52,;-2.64,-2.12,;1.42,.7,;2.76,-.07,;1.42,2.24,;.09,3.01,;2.76,3.01,;2.76,4.54,;4.09,5.31,;5.42,4.55,;5.43,3.01,;6.58,1.98,;5.95,.56,;4.41,.73,;4.09,2.24,)|
C[C@H]1CC2(CN1c1ccc(C#N)c(Cl)c1)CCN(CC2)c1ccc(cc1)C(=O)N1CCN(CC1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1 |r|
[H][C@]12C[C@]([H])(CNC1)[C@]2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
COc1cc(NC(C(=O)c2c[nH]c3cc(F)ccc23)c2ccc(Cl)cc2OC)cc(OCCO)c1
COc1cc(NC(C(=O)c2c[nH]c3cc(OC)c(C)cc23)c2ccc(Cl)cc2OC)cc(OCCO)c1
CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1
Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1
Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(F)(C1)C2 |r|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:7,13|
CCc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:8,14|
COc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:8,14|
CC(C)c1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1 |r,t:9,15|
CCc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccnnc1 |r,t:8,14|
COc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccnnc1 |r,t:8,14|
CC(C)c1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccnnc1 |r,t:9,15|
C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)NC(=O)c3ccnnc3)C1CC=C2n1cnc(c1)C#N |r,c:30,t:7|
C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)NC(=O)c3ccnnc3)C1CC=C2n1cnc(c1)[N+]([O-])=O |r,c:30,t:7|
C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)NC(=O)c3ccnnc3)C1CC=C2n1cnc(Cl)c1 |r,c:30,t:7|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccncc1F |r,t:7,13|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(cc1)[N+]([O-])=O |r,t:7,13|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(cc1)C#N |r,t:7,13|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(cc1)S(C)(=O)=O |r,t:7,13|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1 |r,t:7,13|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1F |r,t:7,13|
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)[Se]c1ccc2ccccc2c1
CC(C)C[C@@H](O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F |r|
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
FC1CN(CCc2ccc(cc2)-c2noc(n2)C(F)(F)F)CCC1Nc1nc2ccccc2[nH]1
FC(F)(F)c1nc(no1)-c1ccc(CCN2CCC(CC2)Nc2nc3ncccc3[nH]2)cc1
Cc1ccc2[nH]c(NC3CCN(CCc4ccc(cc4)-c4noc(n4)C(F)(F)F)CC3)nc2n1
FC(F)(F)c1nc(no1)-c1ccc(CCN2CCC(CC2)Nc2nc3cnccc3[nH]2)cc1
FC(F)(F)c1nc(no1)-c1ccc(CCN2CCC(CC2)Nc2nc3cnc(Cl)cc3[nH]2)cc1
FC(F)(F)c1nc(no1)-c1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)C(F)(F)C2)cc1
[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-2-[#6]-[#6]-2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]-c4ccncc4)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:20|
O=S1(=O)C=C(C2CC2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc12
Nc1nc(Nc2ccc(C#N)c(Cl)c2)nn1S(=O)(=O)c1cccc2cc(\C=C\C#N)ccc12
C[C@@H](c1ccc(cc1)C(=O)Nc1ccc(F)cc1N)n1nc(ccc1=O)-c1ccc(CN(C)C)cc1 |r|
OC(=O)c1ccc2nc(CN3CCN(C=N3)c3cccc(OCc4ccc(cc4F)C#N)n3)n(C[C@@H]3CCO3)c2c1 |r,c:14|
COc1cc(ccc1COc1cccc(n1)N1CCN(Cc2nc3c(F)cc(cc3n2C[C@@H]2CCO2)C(O)=O)N=C1)C#N |r,c:44|
COc1cc(Cl)ccc1COc1cccc(n1)N1CCN(Cc2nc3c(F)cc(cc3n2C[C@@H]2CCO2)C(O)=O)N=C1 |r,c:45|
COc1cc(ccc1COc1cccc(n1)N1CCN(Cc2nc3c(F)cc(cc3n2C[C@@H]2CCO2)C(O)=O)N=C1)C(F)(F)F |r,c:44|
OC(=O)c1cc(F)c2nc(CN3CCN(C=N3)c3cccc(OCc4ccc(C#N)c5ccoc45)n3)n(C[C@@H]3CCO3)c2c1 |r,c:15|
OC(=O)c1cc(F)c2nc(CN3CCN(C=N3)c3cccc(OCc4ccc(Cl)c5cc(F)oc45)n3)n(C[C@@H]3CCO3)c2c1 |r,c:15|
OC(=O)c1cc(F)c2nc(CN3CCN(C=N3)c3cccc(OCc4ccc(Cl)c5CCOc45)n3)n(C[C@@H]3CCO3)c2c1 |r,c:15|
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CCn1cnc2c(NCc3ccc(-c4ccoc4)nc3)nc(N3CCOC[C@H]3CCO)nc21