1824 SMILES Strings for MAP kinase-interacting serine/threonine-protein kinase 2

Compound Name
SMILES String
Brc1cnc(NCCc2ccncc2)nc1-n1ccnc1
Brc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
Brc1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
Brc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc12
Brc1cnc2[nH]nc(-c3ccc(=O)n(Cc4ccccc4)c3)c2c1
C(Cc1c[nH]c2ccccc12)Nc1ccnc(n1)-n1cnc2ccccc12
C(Cc1c[nH]c2ccccc12)Nc1nccc(n1)-n1cnc2ccccc12
C(Cc1c[nH]cn1)Nc1cc(ccn1)-c1cnn(Cc2ccccc2)c1
C(Cc1cccnc1)Nc1ccnc(n1)-n1cnc2ccccc12
C(Cc1cccnc1)Nc1nccc(n1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1cc(ccn1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1cc(ncn1)-n1ccc2ccccc12
C(Cc1ccncc1)Nc1cc(ncn1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1cccc(n1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1ccnc(n1)-n1ncc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-c1cnn(Cc2ccccc2)c1
C(Cc1ccncc1)Nc1nccc(n1)-n1c2ccccc2c2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1ccc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1cnc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1cnc2cnccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1cnc2ncccc12
C(Cc1ccncc1)Nc1nccc(n1)-n1ncc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)N1CCNc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)N1CCOc2ccccc12
C(Cc1ccncc1)Nc1nccc(n1)N1CCc2ccccc12
C(Cc1cnc[nH]1)Nc1nccc(n1)-n1ccc2ccccc12
C1C(Nc2nccc(n2)-n2cnc3ccccc23)C1c1ccccc1
C1CC(CCN1)c1cc(n[nH]1)-c1ccncc1
C1CC(CCO1)Nc1nccc(n1)-n1cnc2ccccc12
C1CC(CN1)Nc1nccc(n1)-n1cnc2ccccc12
C1CC(CN1)Oc1ncc(-c2ccsc2)c(n1)-n1cnc2ccccc12
C1CC(CN1)Oc1nccc(n1)-n1cnc2ccccc12
C1CC(CO1)Nc1nccc(n1)-n1cnc2ccccc12
C1CC(CO1)Nc1nccc(n1)-n1cnc2cnccc12
C1CC(CO1)Nc1nccc(n1)-n1cnc2ncccc12
C1CN(CCO1)Nc1nccc(n1)-n1cnc2ccccc12
C1COCC(C1)Nc1nccc(n1)-n1cnc2ccccc12
C1C[C@@H](CO1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
C1C[C@@H](CO1)Nc1nccc(n1)N1CCc2ccccc12 |r|
C1C[C@H](CO1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
C1C[C@H](CO1)Nc1nccc(n1)N1CCc2ccccc12 |r|
C1OCC1Nc1nccc(n1)-n1cnc2ccccc12
C1SCc2cc(ccc12)-n1ccc2cncnc12
CC#CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC#CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O |r,c:3,t:6|
CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(=O)N1CCC(CNc2cc(cc3[nH]nc(N)c23)-c2ccc(=O)n(Cc3cccc(Cl)c3)c2)CC1
CC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CC(=O)N1CCCCC11CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,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,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(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,;3.38,5.55,;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,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CC(=O)NC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CC(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CC(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC(=O)Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
CC(=O)Nc1cc(ccc1C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)Nc1cc(ccc1C(=O)N1CCNCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)Nc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
CC(=O)Nc1cccc(Cn2cc(ccc2=O)-c2ccc3c(N)n[nH]c3c2)c1
CC(=O)Nc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
CC(=O)Nc1cn2c(cnc2cn1)-c1ccc(O)cc1
CC(=O)O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC(=O)O[C@H]1CN(C[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)=O |r|
CC(=O)c1cncc(c1)-c1ccc(cc1)C(N)=O
CC(C)(C)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CC(C)(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC(C)(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)c1Cl
CC(C)(C)OC(=O)N1CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC(C)(n3c2=O)C(C)(C)C)ncn1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC(c4cccc(F)c4)n3c2=O)ncn1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCC4(C)C)n3c2=O)ncn1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCN(CC4)C(=O)OC(C)(C)C)n3c2=O)ncn1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(Cl)cc45)n3c2=O)ncn1
CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(F)cc45)n3c2=O)ncn1
CC(C)(C)[Si](C)(C)OCCN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)(COc1nc(ncc1C#N)-n1cnc2ccccc12)c1ccnc(F)c1
CC(C)(COc1nc(ncc1Cl)-n1cnc2ccccc12)c1ccnc(F)c1
CC(C)(COc1ncc(C#N)c(n1)-n1cnc2ccccc12)c1ccnc(F)c1
CC(C)(COc1ncc(Cl)c(OCC(C)(C)c2ccnc(F)c2)n1)c1ccnc(F)c1
CC(C)(COc1ncc(Cl)c(n1)-n1cnc2ccccc12)c1ccnc(F)c1
CC(C)(COc1ncc(Cl)c(n1)-n1cnc2ccccc12)c1ccncc1
CC(C)C(=O)N(COCC[Si](C)(C)C)c1ncnc2n(COCC[Si](C)(C)C)nnc12
CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
CC(C)C1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC(C)C1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC(C)C1NC(=O)c2ccc(Nc3ccncn3)cc12
CC(C)CN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC(C)CN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
CC(C)Cn1c(C(N)=O)c(Cl)cc(Nc2cc(N)ncn2)c1=O
CC(C)N(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC(C)N(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1 |r|
CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O |r|
CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
CC(C)Oc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCC3CCNCC3)n(C)c12
CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(C(=O)NCCCN(C)C)n(C)c12
CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(C)Oc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(nc12)C(=O)NCC1CCNCC1
CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(nc12)C(=O)NCCN1CCNCC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cccnc1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c(C)n[nH]c1C
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c[nH]nc1C1CC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1C
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C(C)C
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1CCOC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1nn[nH]n1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)N1CCCC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)N1CCOCC1
CC(C)Oc1cc(ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(N)=O
CC(C)Oc1cc(ccc1Nc1ncnc2ccn(C)c12)C#N
CC(C)Oc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
CC(C)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(C)Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#CCN(C)C)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#CCN)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#N)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC(C)O)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC3CNCCO3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC3COCCN3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCCO)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN3CCCC3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN3CCOCC3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCO)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCN3CCCCC3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCc3cn(C)cn3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCc3cnco3)c(C)c12
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)N[C@H]3CC[C@H](O)CC3)c(C)c12 |r,wU:21.21,wD:24.25,(.33,4.1,;.33,5.64,;1.66,6.41,;-1.01,6.41,;-2.34,5.64,;-3.67,6.41,;-5.01,5.64,;-5.01,4.1,;-3.67,3.33,;-2.34,4.1,;-1.01,3.33,;-1.01,1.79,;-2.34,1.02,;-2.34,-.52,;-1.01,-1.29,;.33,-.52,;1.79,-.99,;2.7,.25,;4.24,.25,;5.01,1.59,;5.01,-1.08,;4.24,-2.41,;5.01,-3.75,;4.24,-5.08,;2.7,-5.08,;1.93,-6.41,;1.93,-3.75,;2.7,-2.41,;1.79,1.5,;2.56,2.83,;.33,1.02,)|
CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)N[C@H]3C[C@@H]3N)c(C)c12 |r|
CC(C)S(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
CC(C)S(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2c1 |r|
CC(C)S(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CC(C)S(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
CC(C)c1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(CC(C)(C)O)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(CC(C)(C)O)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(CC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12
CC(CC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN3CCCC3)c(C)c12
CC(CC1CCOCC1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCC3CCN(C)C3)c(C)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN3CCCC3)c(C)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(CNCCC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CC(CNS(C)(=O)=O)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(COC1CCOC1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(Cn1cccn1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(Cn1ccnc1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(Cn1ccnc1C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CC(F)COc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(F)COc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(F)COc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CC(F)COc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CC(F)COc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CC(NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)F |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C(F)F |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C#N |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)F |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(F)F |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(F)F |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)F |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(F)F |r|
CC(O)CNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CC(O)CNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CC(O)CNc1ccnc(n1)-n1cnc2ccccc12
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#C
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)(C)C#N
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)(C)O
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C1CCCO1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ccccn1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cccnc1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ccncc1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ccnn1C
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1nc(C)no1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ncco1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1nccs1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1nnc(C)o1
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C#N
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)(C)C#N
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)(C)O
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F
CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)c1cc(C)no1
CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12)C#N
CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12)C(=O)NCCCN
CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12)C(=O)NCCN
CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C#N
CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(C)(C)O
CC(Oc1cc(ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N)C(F)(F)F
CC(Oc1cc(ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(N)=O)c1cc(C)no1
CC(Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
CC(Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F
CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12)C(F)(F)F
CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#CCN(C)C)c(C)c12)C(F)(F)F
CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12)C(F)(F)F
CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12)C(F)(F)F
CC(Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(F)(F)F
CC(Oc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12)C(F)(F)F
CC1(C)CCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC1(C)CCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC1(C)CCCC11NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(C)CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
CC1(C)CN(c2ccccc12)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CC1(C)COC(=O)C1Oc1ncc(Cl)c(n1)-n1cnc2ccccc12
CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12
CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cc(ncc34)C3CC3)c(=O)n12
CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n12
CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cnccc34)c(=O)n12
CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n12
CC1(C)NC(=O)c2c(cc(Nc3ccncn3)c(=O)n12)C1CC1
CC1(C)NC(=O)c2c1cc(Nc1cc(N)ncn1)cc2Cl
CC1(C)NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
CC1(C)NC(=O)c2c1cc(Nc1ncnc(N)c1Cl)cc2Cl
CC1(C)NC(=O)c2c1cc(cc2Cl)-n1ccc2cncnc12
CC1(C)NC(=O)c2ccc(-n3ccc4cncnc34)c(=O)n12
CC1(C)NC(=O)c2ccc(N3CCc4cncnc34)c(=O)n12
CC1(C)NC(=O)c2ccc(Nc3cc(N)ncn3)c(Cl)c12
CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(C)NC(=O)c2ccc(Nc3ccncn3)cc12
CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)N1CCOCC1
CC1(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(CN)NC(=O)c2ccc(Nc3ccncn3)cc12
CC1(CN2C(=O)c3ccccc3C2=O)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(Cc2ccc(Cl)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(Cc2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(Cc2cccc(Cl)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(Cc2cccc(F)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
CC1(N)CC(=O)c2ccc(Nc3ccncn3)cc12
CC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(Cl)cc3)n2c1
CC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC1(N)CCN(CC1)C(=O)c1ccc(cc1Cl)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC1(N)CCN(CC1)C(=O)c1ccc(cc1F)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CC1(N)CNC(=O)c2ccc(Nc3ccncn3)cc12
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(c1)C(F)(F)F
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccc1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccn1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccnc1
CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccncc1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C1CCCC1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccccn1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccnc1
CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccncc1
CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
CC1(NC(=O)c2ccc(Nc3cc(NC(C4CC4)C(F)(F)F)ncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2ccc(Nc3cc(\C=C\C4CC4)ncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C(F)(F)F
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C1CCCC1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(Cl)cc(Cl)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(Cl)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(F)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(Cl)cc1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(F)cc1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccccn1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccsc1
CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cscn1
CC1(NC(=O)c2ccc(Nc3ncnc4[nH]c(cc34)C3CC3)c(=O)n12)C(F)(F)F
CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CC1=C(Oc2ncc(Cl)c(n2)-n2cnc3ccccc23)C(=O)CO1 |c:1|
CC1CC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
CC1CCS(=O)(C1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
CC1CCS(=O)(C1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CC1CCS(=O)(C1)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
CC1CCS(=O)(C1)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CC1CNC(=O)c2ccc(Nc3ccncn3)cc12
CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
CC1Cc2cc(Nc3ccncn3)ccc2C(=O)N1
CC1Cc2cc(Nc3ccncn3)ccc2NC1=O
CC1N(C)C(=O)c2ccc(Nc3ccncn3)cc12
CC1NC(=O)c2c1cc(Nc1ccncn1)cc2C
CC1NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
CC1NC(=O)c2c1cc(cc2C)-n1ccc2cncnc12
CC1NC(=O)c2c1cc(cc2Cl)-n1ccc2cncnc12
CC1NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc12
CC1NC(=O)c2ccc(Nc3cc(NC(=O)C(C)(C)C)ncn3)cc12
CC1NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
CC1NC(=O)c2ccc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
CC1NC(=O)c2ccc(Nc3ccncn3)cc12
CC1NC(=O)c2ccc(Nc3ncnc4NC(=O)Cc34)cc12
CC1NC(=O)c2ccc(Nc3ncnc4NCCOc34)cc12
CC1NC(=O)c2ccc(Nc3ncnc4NCCc34)cc12
CC1NC(=O)c2ccc(cc12)-n1ccc2cncnc12
CC1NC(=O)c2ccc(cc12)N1CCCc2cncnc12
CC1NC(=O)c2ccc(cc12)N1CCc2cncnc12
CC1NC(=O)c2cnc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
CC1OC(C)=C(Oc2ncc(Cl)c(n2)-n2cnc3ccccc23)C1=O |t:4|
CCC(=O)NC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CCC(C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CCC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12
CCC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)OC
CCC1(CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1)NC(C)=O
CCC1(N)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCCC1(CCC)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CCCCNC(=O)NCCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12
CCCCOc1nc(C)c(s1)-c1ccnc(Nc2ccc(OC)cc2OC)n1
CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CCCNC(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
CCCNC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC)n2)c2ccccc12
CCCn1ncc(c1C)-c1ccnc(NCc2nccn2CC)n1
CCN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CCN(CC)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CCN1CCN(CC1)C(=O)c1oc2c(C(N)=O)c(O)cc(OC)c2c1C
CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1
CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1C[C@@H](OC)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC)c(C)c12
CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12
CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
CCNC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
CCNC(=O)NC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCNC(=O)Nc1nccc(n1)-n1cnc2ccccc12
CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
CCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
CCNc1cc(ccc1C(N)=O)-c1cccnc1
CCOC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCOC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CCOC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CCOC(=O)c1c(Cl)cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n1Cc1ccc(OC)cc1
CCOC(=O)c1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
CCOC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
CCOC(Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
CCOCC(COCC)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
CCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
CCOc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)N[C@@H](C)C#N)c12)N=S1(=O)CCC1 |r|
CCOc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCC1 |r|
CCOc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
CCOc1cc(ccc1C(N)=O)-c1cccnc1
CCOc1cc(ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(N)=O
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
CCS(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CCS(C)(=O)=Nc1cc(Cl)c2c(Nc3cccnc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[S@@](C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CC[S@](C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CCc1c(N)ncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
CCc1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
CCc1ccc(cc1)-c1ccc2ncn(-c3ccc(cc3)C#N)c2c1
CCc1cnc(NC2CNC(=O)C2)nc1-n1cnc2ccccc12
CCc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
CCc1cncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
CCc1nc(OC2CC(N)C2)nc(c1Cl)-n1cnc2ccccc12 |(.69,4.93,;-.64,4.16,;-.64,2.62,;.69,1.85,;.69,.31,;2.03,-.46,;3.12,-1.55,;4.66,-1.55,;4.66,-3.09,;5.75,-4.18,;3.12,-3.09,;-.64,-.46,;-1.97,.31,;-1.97,1.85,;-3.31,2.62,;-3.31,-.46,;-4.71,.16,;-5.75,-.98,;-4.98,-2.32,;-5.45,-3.78,;-4.42,-4.93,;-2.91,-4.61,;-2.44,-3.14,;-3.47,-2,)|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC)n2)c2ccccc12
CN(C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)c1ccncc1
CN(C)C(=O)COc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2ccccc2[nH]1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C
CN(C)C(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
CN(C)C(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
CN(C)C1CC(C1)Oc1ncc(Cl)c(n1)-n1c(C)nc2ccccc12 |(-5.61,5.43,;-4.11,5.11,;-3.08,6.25,;-3.63,3.64,;-2.26,2.94,;-2.96,1.57,;-4.33,2.27,;-2.48,.11,;-.98,-.21,;.05,.93,;1.56,.61,;2.04,-.86,;3.54,-1.18,;1.01,-2,;-.5,-1.68,;1.48,-3.46,;.58,-4.71,;-.96,-4.71,;1.48,-5.96,;2.95,-5.48,;4.28,-6.25,;5.61,-5.48,;5.61,-3.94,;4.28,-3.17,;2.95,-3.94,)|
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1NC(C)=O)-c1ccc2ncc(I)n2n1
CN(C)CC#CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
CN(C)CC#CCNC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)CCCN1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
CN(C)CCCNC(=O)c1cc2ncnc(N3CCc4cc(F)ccc34)c2n1C
CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CC(C)(C)c2ccccc12
CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CCc2cc(F)ccc12
CN(C)CCCNC(=O)c1nc2c(ncnc2s1)N1CCc2ccccc12
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC(F)(F)F)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3CCOCC3)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCO)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(nc3OC3CCOCC3)C(F)(F)F)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3cccnc3OCC(F)F)c2c1C
CN(C)CCCNC(=O)c1sc2ncnc(Nc3cccnc3OCCO)c2c1C
CN(C)CCN1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
CN(C)CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
CN(C)CCNc1nccc(n1)-n1cnc2ccccc12
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)c1cc(ccc1C(=O)N1CCN(C)CC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1nccc(n1)-c1cnn2ncccc12
CN(CC(=O)N1CCOCC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN(CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C(=O)OC(C)(C)C
CN(Cc1ccon1)Cc1cc(ccc1O)-c1ccnc2cc(Cl)ccc12
CN(N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21)C(=O)OC(C)(C)C
CN(c1cc(NC(=O)C2CC2)ncn1)c1cc(Cl)c2C(=O)NC3(CCCC3)n2c1=O
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1C2CCC1CC1(C2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
CN1CCC(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCC(CC1)NC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3cc(ncn3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)n21
CN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(NC(=O)C4CC4)c3C)c(=O)n21
CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3ccncn3)c(=O)n21
CN1CCCCC11CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(c(Cl)c1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(c(F)c1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(c(O)c1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(c(O)c1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]cnc4c3)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(I)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cc1C)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(C)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(=O)NO
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)(F)F
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)F
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(O)=O
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccccc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccccc1O
CN1CCN(CC1)C(=O)c1ccc(cc1C(F)(F)F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1CO)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1Cl)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1Cl)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C(=O)c1ccc(cc1N)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1NC(C)=O)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1O)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1OC(F)(F)F)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1[N+]([O-])=O)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
CN1CCN(CC1)c1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(CC1=O)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1=O)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CN1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CN1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CN1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CN1C[C@H](O)[C@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CN1C[C@H](O)[C@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CNC(=O)CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
CNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1ccc(Nc2nccc(n2)-n2cnc3ccccc23)cc1
CNC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccccc3)c2n1
CNC(=O)c1ccc(cc1)-c1cccnc1
CNC(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CNC(=O)c1cncc(c1)-c1ccc(C(N)=O)c(OC(C)C)c1
CNC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CNC(=O)c1oc2c(C(N)=O)c(O)cc(OC)c2c1C
CNC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CN)c2c1C
CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNC(=O)OC(C)(C)C)c2c1C
CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c2c1C
CNC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CNC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CNc1cc(Nc2cc(Cl)c3C(=O)NC(C)(c4cccc(Cl)c4)n3c2=O)ncn1
CNc1cc(Nc2ccc3C(=O)NC(C)c3c2)ccn1
CNc1cc(ccc1C(=O)N1CCN(C)CC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CNc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(OC)cc2OC)n1
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
COC(=O)CC1(CC(=O)OC)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
COC(=O)CNc1ncc(Cl)c(n1)-n1cnc2ccccc12
COC(=O)N1CC2(C1)CS(=O)(C2)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2c1 |r|
COC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
COC(=O)NCC1NC(=O)c2ccc(cc12)-n1ccc2cncnc12
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(n1)C(F)F |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
COC(=O)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
COC(=O)c1cccc(c1)C#Cc1ccccc1Nc1ncnc2ccc(Cl)nc12
COC(=O)c1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
COC(=O)c1oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc2c1C
COC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(=O)n(C)c3)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(=O)NCCCN)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(=O)NCCN(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(=O)NCCN)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(O)=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CC(C)(C)O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCN(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCN)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCNC(=O)C(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCNC(C)=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCNS(C)(=O)=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CN(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CN)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNC(=O)C(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNC(C)=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNS(=O)(=O)C(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNS(C)(=O)=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CN)CN)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CN)CNC(C)=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CN)CNS(C)(=O)=O)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCN)c2c1C
COC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)CCN)c2c1C
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)CN)c2c1C
COC(=O)c1sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c2c1C
COC(=O)c1sc2ncnc(Nc3cccnc3OCC3CC3(F)F)c2c1C
COC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
COC1CCC(CC1)Nc1nccc(n1)-n1cnc2ccccc12 |(-3.32,-6.8,;-4.4,-5.71,;-4.01,-4.22,;-5.09,-3.13,;-4.7,-1.65,;-3.21,-1.25,;-2.12,-2.34,;-2.52,-3.82,;-2.81,.24,;-1.32,.64,;-.23,-.45,;1.25,-.05,;1.65,1.44,;.56,2.53,;-.92,2.13,;.96,4.01,;.06,5.26,;.96,6.5,;2.43,6.03,;3.76,6.8,;5.09,6.03,;5.09,4.49,;3.76,3.72,;2.43,4.49,)|
COC1CCN(CC1)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
COC1CCN(CC1)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
COC1CS(=O)(C1)=Nc1cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c2c(C)c1OC |r|
COCC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
COCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
COCC(C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
COCC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
COCC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
COCC(C)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12
COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
COCCN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
COCCN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
COCCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
COCCNc1nccc(n1)-n1cnc2ccccc12
COCCO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
COCCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCCOc1nc(C)c(s1)-c1ccnc(Nc2ccc(OC)cc2OC)n1
COCCSc1nc(C)c(s1)-c1ccnc(Nc2ccc(OC)cc2OC)n1
COCCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC(F)(F)F)n2)c2ccccc12
COCCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC(F)F)n2)c2ccccc12
COCCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC)n2)c2ccccc12
COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O
COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O
COCCn1cc(C)cc(Nc2ncnc3sc(C(O)=O)c(C)c23)c1=O
CO[C@@H]1CCC(CO1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1 |r|
CO[C@@H]1CC[C@H](CO1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CN(C)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CN(C)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1CN(C)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CN(C)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1CN(CCF)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)OCc1ccccc1 |r|
CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)S(C)(=O)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)OCc1ccccc1 |r|
CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)S(C)(=O)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)OCc1ccccc1 |r|
CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)S(C)(=O)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)OCc1ccccc1 |r|
CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)=O |r|
CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)S(C)(=O)=O |r|
CO[C@@H]1CNC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CNC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1CNC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1CNC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(OC)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(OC)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC)c(C)c12 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC)c(Cl)c12 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OC)c(C)c12 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OC)c(Cl)c12 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCCC3)c(OC)c(C)c12 |r|
CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCCC3)c(OC)c(Cl)c12 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
CO[C@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
CO[C@H]1OC[C@H](Oc2cc(F)ccc2Nc2ncnc3cc(cc(C)c23)N=S(C)(C)=O)C=C1 |r,c:34|
COc1c(C)c2c(Nc3cc4cn[nH]c4cc3OC(C)C)ncnc2cc1N=S1(=O)CCC1
COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3OC3CCOCC3)ncnc2cc1N=S(C)(C)=O
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C(C)(C)C |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C(C)C |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C1CC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C1CCOCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)CCO |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC(O)CC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCNCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCOCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S(C)(C)=O |r,wU:16.16,wD:19.20,(3.92,-2.31,;3.92,-3.85,;2.59,-4.62,;1.26,-3.85,;1.26,-2.31,;-.08,-4.62,;-1.41,-3.85,;-1.41,-2.31,;-2.74,-1.54,;-4.08,-2.31,;-5.41,-1.54,;-5.41,,;-6.75,.77,;-4.08,.77,;-2.74,,;-1.41,.77,;-1.41,2.31,;-2.74,3.08,;-2.74,4.62,;-1.41,5.39,;-1.41,6.93,;-.08,4.62,;-.08,3.08,;-2.74,-4.62,;-2.74,-6.16,;-1.41,-6.93,;-.08,-6.16,;1.26,-6.93,;2.59,-6.16,;3.92,-6.93,;5.26,-6.16,;6.59,-6.93,;6.75,-5.76,;5.26,-4.62,)|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCC1 |r,wU:16.16,wD:19.20,(3.72,-1.95,;3.72,-3.49,;2.39,-4.26,;1.06,-3.49,;1.06,-1.95,;-.28,-4.26,;-1.61,-3.49,;-1.61,-1.95,;-2.94,-1.18,;-4.28,-1.95,;-5.61,-1.18,;-5.61,.36,;-6.94,1.13,;-4.28,1.13,;-2.94,.36,;-1.61,1.13,;-1.61,2.67,;-2.94,3.44,;-2.94,4.98,;-1.61,5.75,;-1.61,7.29,;-.28,4.98,;-.28,3.44,;-2.94,-4.26,;-2.94,-5.8,;-1.61,-6.57,;-.28,-5.8,;1.06,-6.57,;2.39,-5.8,;3.72,-6.57,;5.06,-5.8,;5.06,-4.26,;5.46,-7.29,;6.94,-6.89,;6.55,-5.4,)|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCCC1 |r,wU:16.16,wD:19.20,(3.48,-1.69,;3.48,-3.23,;2.15,-4,;.82,-3.23,;.82,-1.69,;-.52,-4,;-1.85,-3.23,;-1.85,-1.69,;-3.19,-.92,;-4.52,-1.69,;-5.85,-.92,;-5.85,.62,;-7.19,1.39,;-4.52,1.39,;-3.19,.62,;-1.85,1.39,;-1.85,2.93,;-3.19,3.7,;-3.19,5.24,;-1.85,6.01,;-1.85,7.55,;-.52,5.24,;-.52,3.7,;-3.19,-4,;-3.19,-5.54,;-1.85,-6.31,;-.52,-5.54,;.82,-6.31,;2.15,-5.54,;3.48,-6.31,;4.82,-5.54,;4.82,-4,;4.82,-7.08,;6.28,-7.55,;7.19,-6.31,;6.28,-5.06,)|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(Cl)c2c(Nc3ccc(F)cc3OC3CCOCC3)ncnc2cc1N=S(C)(C)=O
COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1c(N)ncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
COc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2C(=O)NC3(CCCCC3)n2c1=O
COc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2C(=O)NC3(CCN(CC(F)(F)F)CC3)n2c1=O
COc1c(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
COc1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
COc1c(cc2ncnc(Nc3cc4cn[nH]c4cc3OC(C)C)c2c1C)N=S(C)(C)=O
COc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)ccc1F
COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)C(O)=O)c(OC)c1
COc1cc(O)c(C(N)=O)c2oc(C(=O)NC3CCN(Cc4cccc(c4)C(F)(F)F)CC3)c(C)c12
COc1cc(O)c(C(N)=O)c2oc(C(=O)Nc3ccc(C)c(c3)C(F)(F)F)c(C)c12
COc1cc(O)c(C(N)=O)c2occ(C)c12
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
COc1cc(O)c2c(c1)\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,18|
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
COc1cc(O)cc2\C=C\CC[C@H](O)[C@H](O)CCC[C@H](C)OC(=O)c12 |r,t:8|
COc1cc(O)cc2\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC(=O)c12 |r,t:8,16|
COc1cc(OC)c2c(c1)\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O |r,t:11,19|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
COc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3OC(C)c3cc(C)no3)c12)N=S(C)(C)=O
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC#N)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S(C)(=O)C1CC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)F)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)C |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccncc1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC(C)C1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC(O)CC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C(C)C |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C1CC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)c1ccncc1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC(C)C1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC(O)CC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
COc1cc(cc2ncnc(Nc3cccnc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
COc1cc(ccc1-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1)C(=O)N1CCN(C)CC1
COc1cc(ccc1-c1cccnc1)C(N)=O
COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
COc1cc(ccc1C(N)=O)-c1cccnc1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(CN2CCn3c(ccc(Nc4ccncn4)c3=O)C2=O)cc1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2cn(C(C)C)c3ccccc23)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2cn(C)c3ccccc23)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2cn(C3CCCC3)c3ccccc23)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2cn(CCN3CCOCC3)c3ccccc23)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(OC(C)C)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(SC(C)C)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(SCCCN(C)C)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(SCCN(C)C)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(SCCN3CCNCC3)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(SCCN3CCOCC3)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(SCc3cccnc3)nc2C)c(OC)c1
COc1ccc(Nc2nccc(n2)-c2sc(nc2C)N(C)C)c(OC)c1
COc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(Br)c1
COc1ccc(cc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1O
COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
COc1ccc(cn1)-c1ccc(cc1)C(N)=O
COc1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
COc1cccc(c1)-c1cc(-c2ccccc2)c2c(N)n[nH]c2n1
COc1cccc(c1)-c1cn(-c2ccnc(NCCc3c[nH]cn3)n2)c2ccccc12
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NC2CCNC2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCc2c[nH]cn2)n1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCc2ccncc2)c1
COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCc2ccncc2)n1
COc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
COc1cncc(c1)-c1ccc(cc1)C(N)=O
COc1cncnc1Nc1cc(C)c2C(=O)NC3(CCN(CC(F)(F)F)CC3)n2c1=O
COc1cncnc1Nc1cc(C)c2C(=O)NC3(CCN(CC(F)F)CC3)n2c1=O
COc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
COc1cncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
COc1nc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)cc(n1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
COc1ncc(C)cc1Nc1ncnc2[nH]ccc12
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1)C1CC1 |r|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1)c1ccccc1 |r|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1)c1cccnc1 |r|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C1CC1 |r|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C1CCC(O)CC1 |r,wU:23.25,wD:19.19,(3.57,-1.75,;4.34,-3.08,;5.68,-3.85,;3.01,-3.85,;1.67,-3.08,;1.67,-1.54,;.34,-.77,;.34,.77,;-.99,-1.54,;-2.33,-.77,;-2.33,.77,;-3.66,1.54,;-3.66,3.08,;-4.99,3.85,;-6.33,3.08,;-7.66,3.85,;-6.33,1.54,;-4.99,.77,;-4.99,-.77,;-6.33,-1.54,;-7.79,-1.06,;-8.7,-2.31,;-7.79,-3.56,;-6.33,-3.08,;-4.99,-3.85,;-3.66,-1.54,;-3.66,-3.08,;-2.33,-3.85,;-.99,-3.08,;.34,-3.85,;5.43,-1.99,;6.92,-2.39,;8.01,-1.3,;7.61,.19,;8.7,1.28,;6.12,.59,;5.03,-.5,)|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C1CCOCC1 |r|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)c1ccccc1 |r|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)c1cccnc1 |r|
CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)c1ccncc1 |r|
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(C)(=O)=Nc1cc(Br)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(C2CC2)c2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2c1
CS(C)(=O)=Nc1cc(C2CC2)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(Cl)c2c(Nc3cccnc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2c1
CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(OC(F)F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(OCC(F)F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(OCCF)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
CS(C)(=O)=Nc1cc(c2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2c1)C(F)(F)F
CS(C)(=O)=Nc1cc(c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C(F)(F)F |r|
CSc1cc(Nc2ccc3C(=O)NC(C)c3c2)ncn1
CSc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
C[C@@H](CN)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@@H](CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 |r|
C[C@@H](CNC(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 |r|
C[C@@H](CNC(C)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@@H](CNS(C)(=O)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C#N |r|
C[C@@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC(C)(C)C1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC2(COC2)C1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(O)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC3CCOC3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCC3CC3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCCC3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCN3CCOCC3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OCCCN3CCOCC3)c(C)c12)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(=O)C1CC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(=O)C1CCNC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(=O)C1CCOCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)C |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)C1CCCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)CCO |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)CCc1ccccc1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)Cc1ccccc1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(CC(F)(F)F)CC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(CC(F)F)CC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCC(=O)CC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCC(O)C1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCCCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCN(C)CC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCOCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCS(=O)CC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N=S(C)(C)=O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC(C(F)(F)F)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC(CF)CF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC1CCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC1CCOCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC1COC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC#C |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(C)(C)O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC1CCCO1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCCO |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H]1CCC[C@@H]1O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H]1CCC[C@H]1O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@H]1CCOC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC2(COC2)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC(C)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC(O)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N(CC(F)(F)F)CC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NC(C(F)(F)F)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NC(CF)CF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NC12CC(C1)C2 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCCF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)C |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)C1CCCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)CCO |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)CCc1ccccc1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)Cc1ccccc1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCC(=O)CC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCC(O)C1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCCCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCS(=O)CC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NC1CCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NC1CCOCC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC#C |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(C)(C)O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC1CCCO1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCCF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCCO |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N[C@@H]1CCC[C@@H]1O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N[C@@H]1CCC[C@H]1O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N[C@H]1CCOC1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(N)=O |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCN(C)CC1)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCN(CC1)C(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCNCC1)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC[C@@H](N)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC[C@H](N)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C3CC3)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NC(CF)CF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCCF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CC2(COC2)C1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)N[C@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(=O)C(C)(C)C)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(=O)C1CCOCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NC(CF)CF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NC(CF)CF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCCF |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)NCC#N |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
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]1C\C=C\[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:3,11|
C[C@H](CN)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@H](CNC(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@H](CNC(C)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@H](CNC(C)=O)Oc1ccc2ncc(-c3cc4ccc(O)cc4o3)n2n1 |r|
C[C@H](CNS(=O)(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@H](CNS(C)(=O)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
C[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C#N |r|
C[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
C[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C#N |r|
C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C#N |r|
C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C#N |r|
C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
C[C@H](NC(=O)[C@@H](C)Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C#N |r|
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F |r|
C[C@H]1CC=C[C@@H](O)[C@@H](O)CCC(Cc2cc(O)cc(O)c2C(=O)O1)N=O |r,w:3.2|
C[C@H]1CCC[C@@H](O)[C@@H](O)CCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r|
C[C@H]1CCC[C@@H](O)[C@@H](O)CCC(O)Cc2cc(O)cc(O)c2C(=O)O1 |r|
C[C@H]1CCC[C@@H](O)[C@@H](O)CCCCc2cc(O)cc(O)c2C(=O)O1 |r|
C[C@H]1CCC[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:11|
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|
C[C@H]1C\C=C/C(=O)C(CCCCc2cc(O)cc(O)c2C(=O)O1)C(C)=O |r,c:3|
C[C@H]1C\C=C\CCCC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:3,9|
C[C@H]1C\C=C\[C@@H](O)[C@@H](O)CCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3|
C[C@H]1C\C=C\[C@@H](O)[C@@H](O)CCC(O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3|
C[C@H]1C\C=C\[C@H]2OC(C)(C)O[C@H]2CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:3,15|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
C[Si](C)(C)CCOCn1cnc2ncnc(Nc3cc(Cl)c4C(=O)NC5(CCCCC5)n4c3=O)c12
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1c(F)c(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Cc1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Cc1c(oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc12)C(=O)N1CCNCC1
Cc1c(oc2ccc(Nc3ncnc4ccc(Cl)nc34)cc12)C(=O)N1CCOCC1
Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccccc2OC(F)F)n1
Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(N)=O
Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3C)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)NCCCN1CCCC1
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)NS(C)(=O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)N[C@@H]1C[C@H]1N |r|
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C |r|
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4ncon4)CC3)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12)C(=O)NCCN1CCOCC1
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(N)=O
Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(O)=O
Cc1c(sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c12)C(=O)NCC#N
Cc1c(sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c12)C(=O)NCCCN1CCCC1
Cc1c(sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3cccnc3OCC(F)F)c12)C(=O)NCCO
Cc1c(sc2ncnc(Nc3cccnc3OCC(F)F)c12)C(N)=O
Cc1c(sc2ncnc(Nc3cccnc3OCC(F)F)c12)C(O)=O
Cc1c(sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c12)C(N)=O
Cc1c(sc2ncnc(Nc3cccnc3OCC3CC3(F)F)c12)C(N)=O
Cc1c(sc2ncnc(Nc3cccnc3OCCO)c12)C(N)=O
Cc1cc(C(=O)c2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(COc2cc(F)ccc2Nc2ncnc3cc(cc(C)c23)N=S(C)(C)=O)no1
Cc1cc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ccn1
Cc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
Cc1cc(Nc2cc(N)[n+]([O-])cn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(N)ccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(N)ncn2)c(=O)n2CCCNC(=O)c12
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(O)CC1 |(4.87,-20.91,;4.87,-22.45,;3.54,-23.22,;3.54,-24.76,;2.21,-25.53,;.89,-24.76,;-.45,-25.53,;-1.78,-24.76,;-3.11,-25.53,;-1.78,-23.22,;-.45,-22.45,;.89,-23.22,;4.87,-25.53,;4.87,-27.07,;6.21,-24.76,;6.21,-23.22,;7.67,-22.74,;8.44,-21.41,;8.58,-23.99,;7.67,-25.23,;6.58,-26.32,;6.98,-27.81,;8.47,-28.21,;8.87,-29.7,;9.56,-27.12,;9.16,-25.63,)|
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1O
Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCN(CC#N)CC1
Cc1cc(Nc2cc(N)ncn2)cc2c1C(=O)NC2(C)C
Cc1cc(Nc2cc(N)ncn2)cc2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)CC1
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(Cl)c1
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(Nc2cc(NC3CCNCC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(ncn2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
Cc1cc(Nc2cc(ncn2)N2CCC(N)CC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(ncn2)N2CCCCC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(ncn2)N2CCNCC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cc(ncn2)N2CCOCC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cccnc2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cccnn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccnc(N)c2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccnc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccncc2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ccnnc2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cn(C)nc2C#N)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cn(C)nc2C(F)F)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cn(C)nc2N)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cncc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2cnccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2nccc(N)n2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncccc2C)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncccn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc(N)c2C)cc2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc(N)c2Cl)cc2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)CC1
Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
Cc1cc(Nc2ncncc2C2CC2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S1(=O)CCCC1
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC3CCC(O)OC3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC3CCC(O)OC3)c12)N=S1(=O)CCC1
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC#N)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3(C)COC3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3(CC3)C(F)(F)F)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3(CCC3)C#N)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCCCO3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCNC(=O)C3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCO3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCOC3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCOCC3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CNC(=O)C3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3COCCO3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCCCO)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC[C@@H]3CCC(=O)N3)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC[C@H]3CCC(=O)N3)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC[C@H]3CNC(=O)O3)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCc3ccccc3)c12)N=S1(=O)CCCC1
Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCc3ccon3)c12)N=S(C)(C)=O
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CNC[C@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CNC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCC(O)CC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=[S@@](C)(=O)c1ccccc1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3OCc3ccccc3)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3F)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3F)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3C[C@@H]4CC[C@H]3O4)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CF)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)C(F)(F)F)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)C(N)=O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)CF)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CN(C[C@@H]3O)S(C)(=O)=O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CN(C[C@@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CNC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CNC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCC(O)CC1 |r,wU:23.25,wD:19.19,(.34,.77,;.34,-.77,;1.67,-1.54,;1.67,-3.08,;.34,-3.85,;-.99,-3.08,;-2.33,-3.85,;-3.66,-3.08,;-3.66,-1.54,;-2.33,-.77,;-2.33,.77,;-3.66,1.54,;-3.66,3.08,;-4.99,3.85,;-6.33,3.08,;-7.66,3.85,;-6.33,1.54,;-4.99,.77,;-4.99,-.77,;-6.33,-1.54,;-7.79,-1.06,;-8.7,-2.31,;-7.79,-3.56,;-6.33,-3.08,;-4.99,-3.85,;-.99,-1.54,;3.01,-3.85,;4.34,-3.08,;3.57,-1.75,;5.68,-3.85,;5.43,-1.99,;6.92,-2.39,;8.01,-1.3,;7.61,.19,;8.7,1.28,;6.12,.59,;5.03,-.5,)|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OC3COC3)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC(F)F)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC(F)F)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC3CC3)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCCF)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3C[C@@H]4CO[C@H]3C4)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3OCC3CCOC3)c12)N=S1(=O)CCCC1
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CNC[C@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CNC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3CNC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCCC1 |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S(C)(C)=O |r|
Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
Cc1cc(ccc1C(=O)N1CCC(C)(N)CC1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
Cc1cc(ccc1C(=O)N1CCC(N)CC1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
Cc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Cc1cc(ccc1C(N)=O)-c1cccnc1
Cc1cc(on1)C(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
Cc1cc2ncc(-c3ccc(cc3)C#N)n2cc1-c1ccc(cc1)C(=O)N1CCC(C)(N)CC1
Cc1cc2ncn(-c3nc(NCCc4ccncc4)ncc3Cl)c2cc1C
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Cc1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
Cc1ccc2n(cnc2c1)-c1ncc(Cl)c(NCCc2ccncc2)n1
Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F
Cc1cccc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)n1
Cc1cccc(c1)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
Cc1cccc(n1)C1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nccc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)n1
Cc1ncccc1-c1ccc(cc1)C(N)=O
Cc1ncnc2n(ccc12)-c1ccc2C(=O)NCc2c1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCCNC(=O)C2CCC2)n1
Cc1nnc(o1)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Clc1cc(-n2ccc3cncnc23)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Cl)nc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)c1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCOCC1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CS(=O)C1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CSC1
Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)cc2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ccncc2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)N(C1CCCC1)C21CCCCC1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCC1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(CC#N)CC1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(CC1)C#N
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(CC1)c1ccncn1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCOCC1
Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21Cc2ccccc2C1=O
Clc1cc(Nc2ccncn2)c(=S)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ccncn2)cc2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ccon2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cn[nH]n2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cncs2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cnncn2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cnns2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2cnsn2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2nccnn2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncn[nH]2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncncc2C#N)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncncc2Cl)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncncn2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2ncns2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2nnco2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(Nc2nncs2)c(=O)n2c1C(=O)NC21CCCCC1
Clc1cc(cc2c1C(=O)NC21CCCC1)-n1ccc2cncnc12
Clc1cc(cc2c1C(=O)NC21CCCCC1)-n1ccc2cncnc12
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Clc1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1Cl
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1ccc(Oc2ncc(C#N)c(n2)-n2cnc3ccccc23)cc1
Clc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCC(=O)CC1
Clc1ccc2C(=O)NC3(CCC[C@@H](C3)N3C(=O)c4ccccc4C3=O)n2c1=O |r|
Clc1ccc2N(CCc2c1)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
Clc1ccc2ncnc(Nc3ccccc3C#Cc3cccc(c3)C(=O)N3CCNCC3)c2n1
Clc1ccc2ncnc(Nc3ccccc3C#Cc3cccc(c3)C(=O)N3CCOCC3)c2n1
Clc1cccc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)n1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
Clc1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
Clc1ccccc1-c1cn(-c2ccc3C(=O)NCc3c2)c2ncncc12
Clc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
Clc1cnc(CCc2ccccn2)nc1-n1cnc2ccccc12
Clc1cnc(NC2C3CC2C3)nc1-n1cnc2ccccc12 |(-1.99,3.77,;-.66,3,;.67,3.77,;2.01,3,;2.01,1.46,;3.34,.69,;3.34,-.85,;2.25,-1.94,;3.34,-3.03,;4.43,-1.94,;3.35,-1.62,;.67,.69,;-.66,1.46,;-1.99,.69,;-3.4,1.32,;-4.43,.17,;-3.66,-1.16,;-4.14,-2.63,;-3.11,-3.77,;-1.6,-3.45,;-1.12,-1.99,;-2.15,-.84,)|
Clc1cnc(NC2CCC2)nc1-n1cnc2ccccc12
Clc1cnc(NC2CCN(C2)c2nccn3ccnc23)nc1-n1cnc2ccccc12
Clc1cnc(NC2CCNC2)nc1-n1cnc2ccccc12
Clc1cnc(NCCCc2ccncc2)nc1-n1cnc2ccccc12
Clc1cnc(NCCc2c[nH]c3ccccc23)nc1-n1cnc2ccccc12
Clc1cnc(NCCc2ccc(cc2)C#N)nc1-n1cnc2ccccc12
Clc1cnc(NCCc2cccnc2)nc1-n1cnc2ccccc12
Clc1cnc(NCCc2ccncc2)nc1-n1ccc2c(Cl)ncnc12
Clc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
Clc1cnc(NCCc2ccncc2)nc1-n1nnc2ccccc12
Clc1cnc(NCCc2cnc[nH]2)nc1-n1cnc2ccccc12
Clc1cnc(NCc2cccnc2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCC2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCCOC2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCOC2)nc1-n1cnc2ccccc12
Clc1cnc(OC2CCOCC2)nc1-n1cnc2ccccc12
Clc1cnc(OCCC2CCNCC2)nc1-n1cnc2ccccc12
Clc1cnc(OCCN2CCCC2=O)nc1-n1cnc2ccccc12
Clc1cnc(OCCN2CCOCC2)nc1-n1cnc2ccccc12
Clc1cnc(OCCc2ccccn2)nc1-n1cnc2ccccc12
Clc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc12
Clc1cnc(O[C@@H]2CCNC2)nc1-n1cnc2ccccc12 |r|
Clc1cnc(nc1-n1cnc2ccccc12)N1CCC(=O)C1
Clc1ncnc2ccsc12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1cc(cn1)-c1ccnc(n1)N1CCC[C@H]1CO |r|
Cn1cc(cn1)-c1cn(-c2ccc3C(=O)NCc3c2)c2ncncc12
Cn1cc(cn1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
Cn1cc(cn1)-c1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
Cn1cc2ccc(cc2n1)-c1ccc(=O)n(Cc2ccccc2)c1
Cn1ccc(n1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
Cn1ccc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12
Cn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c12
Cn1ccc2ncnc(Nc3ccc(F)cc3O[C@@H]3CCCOC3)c12 |r|
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Cn1ncc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)n1
Cn1ncc2ccc(cc12)-c1ccc(=O)n(Cc2ccccc2)c1
FC(F)(F)C(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
FC(F)(F)C1CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
FC(F)(F)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
FC(F)(F)CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
FC(F)(F)Oc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
FC(F)(F)c1cc(Cl)c2ncn(-c3nc(OCCc4ccccn4)ncc3Cl)c2c1
FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1
FC(F)(F)c1ccc(CCNc2ncc(Cl)c(n2)-n2cnc3ccccc23)cc1
FC(F)(F)c1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1
FC(F)(F)c1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
FC(F)(F)c1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
FC(F)(F)c1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
FC(F)(F)c1cnc(NC23CC(C2)C3)nc1-n1cnc2ccccc12
FC(F)(F)c1cnc(NC2CNC(=O)C2)nc1-n1cnc2ccccc12
FC(F)(F)c1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
FC(F)(F)c1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
FC(F)CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
FC1(F)CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
FCC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCCC1
FCC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCNCC1
FCC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCOCC1
Fc1c(NC(=O)C2CC2)ncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
Fc1cc(CCOc2nc(ncc2C#N)-n2cnc3ccccc23)ccn1
Fc1cc(CCOc2ncc(C#N)c(n2)-n2cnc3ccccc23)ccn1
Fc1cc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)ccn1
Fc1cc(cc2CNC(=O)c12)-n1ccc2cncnc12
Fc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(CCNc2ncc(Cl)c(n2)-n2cnc3ccccc23)cc1
Fc1ccc(Nc2ncnc3[nH]ccc23)nc1
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
Fc1ccc(Nc2ncnc3ccc(nc23)-c2cccc(c2)C(=O)N2CCNCC2)cc1
Fc1ccc(Nc2ncnc3sc4CNCCc4c23)c(OC2CCOCC2)c1
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Fc1ccc2N(CCc2c1)c1ncnc2cc[nH]c12
Fc1ccc2N(CCc2c1)c1ncnc2sc(nc12)C(=O)NCC1CCNCC1
Fc1ccc2n(cnc2c1F)-c1nc(OCCc2ccccn2)ncc1Cl
Fc1cccc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)c1
Fc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
Fc1cccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)c1
Fc1cccc(c1)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
Fc1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
Fc1ccccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
Fc1cnc(NC23CC(C2)C3)nc1-n1cnc2ccccc12
Fc1cnc(NCCc2ccncc2)nc1-n1ccc2ccccc12
Fc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
Fc1cnccc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
Fc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
N#Cc1cnc(NC2C3CC2C3)nc1-n1cnc2ccccc12 |(-3.53,3.77,;-1.99,3.77,;-.66,3,;.67,3.77,;2.01,3,;2.01,1.46,;3.34,.69,;3.34,-.85,;2.25,-1.94,;3.34,-3.03,;4.43,-1.94,;3.35,-1.62,;.67,.69,;-.66,1.46,;-1.99,.69,;-3.4,1.32,;-4.43,.17,;-3.66,-1.16,;-4.14,-2.63,;-3.11,-3.77,;-1.6,-3.45,;-1.12,-1.99,;-2.15,-.84,)|
N#Cc1cnc(NCCCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(NCCc2ccncc2)nc1-n1ccnc1
N#Cc1cnc(NCCc2ccncc2)nc1-n1cnc(c1)-c1ccccc1
N#Cc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(NCCc2ccncc2)nc1-n1cncn1
N#Cc1cnc(NCCc2ccncc2)nc1-n1nnc2ccccc12
N#Cc1cnc(OC2CCCOC2)nc1-n1cnc2ccccc12
N#Cc1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
N#Cc1cnc(OC2CCOC2)nc1-n1cnc2ccccc12
N#Cc1cnc(OC2CCc3cccnc23)nc1-n1cnc2ccccc12
N#Cc1cnc(OCCN2CCOCC2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCCc2ccccn2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCCc2cccnc2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCc2ccccn2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCc2cccnc2)nc1-n1cnc2ccccc12
N#Cc1cnc(OCc2ccncc2)nc1-n1cnc2ccccc12
N#Cc1cnc(Oc2cccnc2)nc1-n1cnc2ccccc12
N#Cc1cnc(nc1NCCCc1ccncc1)-n1cnc2ccccc12
N#Cc1cnc(nc1OC1CCOCC1)-n1cnc2ccccc12
N#Cc1cnc(nc1OC1CCc2cccnc12)-n1cnc2ccccc12
N(c1ccc(cc1)-n1cccn1)c1nccc(n1)-n1cnc2ccccc12
N(c1ccccc1)c1ncnc2ccc(nc12)-c1ccccc1
N=COCc1cc(ccc1C(=O)N1CCOCC1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
NC(=O)CNc1ncc(Cl)c(n1)-n1cnc2ccccc12
NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
NC(=O)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
NC(=O)c1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2ccc3ncc(-c4ccc(cc4)C#N)n3c2)cc1
NC(=O)c1ccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)cc1
NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
NC(=O)c1ccc(Nc2nccc(n2)-n2cnc3ccccc23)cc1
NC(=O)c1ccc(cc1)-c1ccc(N)nc1
NC(=O)c1ccc(cc1)-c1cccnc1
NC(=O)c1ccc(cc1)-c1cccnc1N
NC(=O)c1ccc(cc1)-c1ccnc(N)c1
NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
NC(=O)c1ccc(cc1)-c1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
NC(=O)c1ccc(cc1)-c1cncc(Cl)c1
NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccccc1
NC(=O)c1ccc(cc1)-c1cncc(c1)-c1cccnc1
NC(=O)c1ccc(cc1)-c1cncc(c1)C(O)=O
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NC(=O)c1ccc(cc1Cl)-c1cccnc1
NC(=O)c1ccc(cc1O)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCC1)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCCCC1)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCNC1)-c1cccnc1
NC(=O)c1ccc(cc1OC1CCNCC1)-c1cccnc1
NC(=O)c1ccc2ncn(-c3cc(N)ncn3)c2c1
NC(=O)c1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
NC(=O)c1cccc(c1)-c1cnc(OC2CCNC2)nc1-n1cnc2ccccc12
NC(=O)c1ccccc1Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1
NC1CC(=O)c2ccc(Nc3ccncn3)cc12
NC1CC(C1)Oc1nc(-n2cnc3ccccc23)c2ccccc2n1 |(6.16,2.16,;4.83,1.39,;4.43,-.09,;2.94,.31,;3.34,1.79,;1.61,-.46,;.28,.31,;-1.06,-.46,;-2.39,.31,;-3.73,-.46,;-5.13,.16,;-6.16,-.98,;-5.39,-2.32,;-5.87,-3.78,;-4.84,-4.93,;-3.33,-4.61,;-2.86,-3.14,;-3.89,-2,;-2.39,1.85,;-3.73,2.62,;-3.73,4.16,;-2.39,4.93,;-1.06,4.16,;-1.06,2.62,;.28,1.85,)|
NC1CC(C1)Oc1nc(C2CC2)c(Cl)c(n1)-n1cnc2ccccc12 |(5.75,-4.46,;4.66,-3.38,;4.66,-1.84,;3.12,-1.84,;3.12,-3.38,;2.03,-.75,;.69,.02,;.69,1.56,;-.64,2.33,;-.64,3.87,;.13,5.21,;-1.41,5.21,;-1.97,1.56,;-3.31,2.33,;-1.97,.02,;-.64,-.75,;-3.31,-.75,;-4.71,-.12,;-5.75,-1.26,;-4.98,-2.6,;-5.45,-4.06,;-4.42,-5.21,;-2.91,-4.89,;-2.44,-3.42,;-3.47,-2.28,)|
NC1CC(C1)Oc1ncc(-c2cccc(c2)C(N)=O)c(n1)-n1cnc2ccccc12 |(3.46,-6.48,;3.46,-4.94,;2.37,-3.85,;3.46,-2.76,;4.55,-3.85,;3.46,-1.22,;2.12,-.45,;2.12,1.09,;.79,1.86,;-.54,1.09,;-1.88,1.86,;-3.21,1.09,;-4.55,1.86,;-4.55,3.4,;-3.21,4.17,;-1.88,3.4,;-3.21,5.71,;-1.88,6.48,;-4.55,6.48,;-.54,-.45,;.79,-1.22,;-1.88,-1.22,;-3.28,-.59,;-4.32,-1.74,;-3.55,-3.07,;-4.02,-4.54,;-2.99,-5.68,;-1.48,-5.36,;-1.01,-3.9,;-2.04,-2.75,)|
NC1CC(C1)Oc1ncc(-c2ccccc2OC(F)(F)F)c(n1)-n1cnc2ccccc12 |(3.46,-6.48,;3.46,-4.94,;2.37,-3.85,;3.46,-2.76,;4.55,-3.85,;3.46,-1.22,;2.12,-.45,;2.12,1.09,;.79,1.86,;-.54,1.09,;-1.88,1.86,;-3.21,1.09,;-4.55,1.86,;-4.55,3.4,;-3.21,4.17,;-1.88,3.4,;-.54,4.17,;-.54,5.71,;.79,6.48,;.79,4.94,;-1.88,6.48,;-.54,-.45,;.79,-1.22,;-1.88,-1.22,;-3.28,-.59,;-4.32,-1.74,;-3.55,-3.07,;-4.02,-4.54,;-2.99,-5.68,;-1.48,-5.36,;-1.01,-3.9,;-2.04,-2.75,)|
NC1CC(C1)Oc1ncc(Br)c(n1)-n1cnc2ccccc12 |(6.16,3.32,;4.83,2.55,;4.43,1.06,;2.94,1.46,;3.34,2.95,;1.61,.69,;.28,1.46,;.28,3,;-1.06,3.77,;-2.39,3,;-3.73,3.77,;-2.39,1.46,;-1.06,.69,;-3.73,.69,;-5.13,1.32,;-6.16,.17,;-5.39,-1.16,;-5.87,-2.63,;-4.84,-3.77,;-3.33,-3.45,;-2.86,-1.99,;-3.89,-.84,)|
NC1CC(C1)Oc1ncc(C#N)c(n1)-n1cnc(c1)-c1ccc(Cl)c(Cl)c1 |(7.18,1.76,;5.7,1.36,;4.93,.02,;3.59,.79,;4.36,2.13,;2.11,.4,;1.02,1.48,;1.41,2.97,;.33,4.06,;-1.2,3.7,;-2.29,4.79,;-3.38,5.88,;-1.56,2.18,;-.47,1.09,;-3.05,1.78,;-4.38,2.55,;-5.53,1.52,;-4.9,.11,;-3.37,.27,;-5.3,-1.38,;-6.79,-1.78,;-7.18,-3.26,;-6.1,-4.35,;-6.49,-5.84,;-4.61,-3.95,;-3.52,-5.04,;-4.21,-2.47,)|
NC1CC(C1)Oc1ncc(C#N)c(n1)-n1cnc2ccccc12 |(-4.53,5.76,;-4.13,4.27,;-2.8,3.5,;-3.57,2.17,;-4.9,2.94,;-3.17,.68,;-1.69,.28,;-.65,1.42,;.85,1.1,;1.33,-.36,;2.82,-.76,;4.3,-1.16,;.3,-1.51,;-1.21,-1.19,;.77,-2.97,;-.13,-4.22,;.77,-5.46,;2.24,-4.99,;3.57,-5.76,;4.9,-4.99,;4.9,-3.45,;3.57,-2.68,;2.24,-3.45,)|
NC1CC(C1)Oc1ncc(C2CC2)c(n1)-n1cnc2ccccc12 |(3.34,-4.94,;3.34,-3.4,;2.25,-2.31,;3.34,-1.22,;4.43,-2.31,;3.34,.32,;2.01,1.09,;2.01,2.63,;.67,3.4,;-.66,2.63,;-1.99,3.4,;-3.33,2.63,;-1.99,4.94,;-.66,1.09,;.67,.32,;-1.99,.32,;-3.4,.95,;-4.43,-.2,;-3.66,-1.53,;-4.14,-3,;-3.11,-4.14,;-1.6,-3.82,;-1.12,-2.36,;-2.15,-1.21,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc(c1)-c1ccc(Cl)c(c1)C(F)(F)F |(7.18,2.45,;5.7,2.05,;4.93,.71,;3.59,1.48,;4.36,2.82,;2.11,1.09,;1.02,2.18,;1.41,3.66,;.33,4.75,;-1.16,4.35,;-2.25,5.44,;-1.56,2.87,;-.47,1.78,;-3.05,2.47,;-4.38,3.24,;-5.53,2.21,;-4.9,.8,;-3.37,.96,;-5.3,-.69,;-6.79,-1.09,;-7.18,-2.57,;-6.1,-3.66,;-6.49,-5.15,;-4.57,-3.3,;-4.21,-1.78,;-3.48,-4.39,;-2.39,-5.48,;-2.39,-3.3,;-4.57,-5.48,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc(c1)C#N |(6.44,.81,;4.95,.42,;4.18,-.92,;2.85,-.15,;3.62,1.19,;1.36,-.55,;.27,.54,;.67,2.03,;-.42,3.12,;-1.91,2.72,;-2.99,3.81,;-2.3,1.23,;-1.21,.14,;-3.79,.83,;-5.13,1.6,;-6.27,.57,;-5.66,-.87,;-4.11,-.67,;-6.43,-2.2,;-7.2,-3.54,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc(c1)C(F)(F)F |(6.16,2.76,;4.83,1.99,;4.43,.5,;2.94,.9,;3.34,2.39,;1.61,.13,;.28,.9,;.28,2.44,;-1.06,3.21,;-2.39,2.44,;-3.73,3.21,;-2.39,.9,;-1.06,.13,;-3.73,.13,;-5.13,.76,;-6.16,-.39,;-5.39,-1.72,;-3.89,-1.4,;-5.79,-3.21,;-7.28,-3.61,;-4.7,-4.3,;-6.19,-4.7,)|
NC1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |(-4.75,5.68,;-4.27,4.21,;-2.9,3.51,;-3.6,2.14,;-4.97,2.84,;-3.12,.68,;-1.62,.36,;-.59,1.5,;.92,1.18,;1.39,-.28,;2.9,-.6,;.36,-1.43,;-1.14,-1.11,;.84,-2.89,;-.06,-4.14,;.84,-5.38,;2.3,-4.91,;3.64,-5.68,;4.97,-4.91,;4.97,-3.37,;3.64,-2.6,;2.3,-3.37,)|
NC1CC(C1)Oc1ncc(c(n1)-n1cnc2ccccc12)C(F)(F)F |(6.16,3.32,;4.83,2.55,;4.43,1.06,;2.94,1.46,;3.34,2.95,;1.61,.69,;.28,1.46,;.28,3,;-1.06,3.77,;-2.39,3,;-2.39,1.46,;-1.06,.69,;-3.73,.69,;-5.13,1.32,;-6.16,.17,;-5.39,-1.16,;-5.87,-2.63,;-4.84,-3.77,;-3.33,-3.45,;-2.86,-1.99,;-3.89,-.84,;-3.73,3.77,;-3.73,5.31,;-5.06,3,;-5.06,4.54,)|
NC1CCN(C1)c1ncc(Cl)c(n1)-n1cnc2ccccc12
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(Cl)cc3)n2c1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2cnccc2c1
NC1CCN(CC1)C(=O)c1ccc(cc1Cl)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1ccc(cc1F)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
NCC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
NCC1NC(=O)c2ccc(cc12)-n1ccc2cncnc12
NCCC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
NCCOc1cc(ccc1C(N)=O)-c1cccnc1
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
N[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r|
N[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2cnccc2c1 |r|
N[C@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1 |r|
N[C@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r|
N[C@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2cnccc2c1 |r|
N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r,wU:3.5,wD:1.0,(36.72,-33.01,;35.21,-33.32,;33.93,-32.47,;33.08,-33.76,;34.37,-34.61,;31.57,-34.07,;30.55,-32.92,;29.04,-33.23,;28.03,-32.08,;28.51,-30.62,;27.74,-29.3,;28.77,-28.15,;30.18,-28.78,;31.51,-28.01,;31.51,-26.46,;32.84,-25.69,;34.17,-26.46,;35.5,-25.68,;36.83,-26.44,;36.84,-27.99,;35.51,-28.77,;34.17,-28,;32.84,-28.78,;30.01,-30.31,;31.04,-31.45,)|
N[C@H]1C[C@@H](C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |r,wU:1.0,wD:3.5,(-1.08,-6.5,;-.6,-5.04,;-1.3,-3.67,;.07,-2.97,;.77,-4.34,;.55,-1.5,;-.48,-.36,;-1.99,-.68,;-3.02,.47,;-2.54,1.93,;-3.57,3.08,;-1.04,2.25,;-.01,1.11,;-.56,3.72,;-1.46,4.96,;-.56,6.21,;.9,5.73,;2.24,6.5,;3.57,5.73,;3.57,4.19,;2.24,3.42,;.9,4.19,)|
N[C@H]1C[C@H](C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |r,wU:3.5,1.0,(-4.75,5.68,;-4.27,4.21,;-2.9,3.51,;-3.6,2.14,;-4.97,2.84,;-3.12,.68,;-1.62,.36,;-.59,1.5,;.92,1.18,;1.39,-.28,;2.9,-.6,;.36,-1.43,;-1.14,-1.11,;.84,-2.89,;-.06,-4.14,;.84,-5.38,;2.3,-4.91,;3.64,-5.68,;4.97,-4.91,;4.97,-3.37,;3.64,-2.6,;2.3,-3.37,)|
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ccn1
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCOCC4)n3c2=O)ncn1
Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CNCNC4)n3c2=O)ncn1
Nc1cc(Nc2cc3c(C(=O)NC33CCCC3)c(Cl)c2)ncn1
Nc1cc(n[nH]1)-c1ccc(Cl)cc1
Nc1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
Nc1cc(nc(NCc2cccnc2)n1)-n1cnc2ccccc12
Nc1ccc(CCOc2ncc(Cl)c(n2)-n2cnc3ccccc23)cc1
Nc1ccc(cc1)-n1cnc(Cl)c1Cl
Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Nc1cccc(Cn2cc(ccc2=O)-c2ccc3cn[nH]c3c2)c1
Nc1cccc(c1)-c1cccnc1
Nc1cccc2n(ncc12)-c1ncnc2[nH]ccc12
Nc1ccnc(n1)-n1cnc2ccccc12
Nc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
Nc1n[nH]c2cc(cc(NCC3CCOCC3)c12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
Nc1n[nH]c2cc(cc(OCC3CCOCC3)c12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(F)c2)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2cccc(c2)C(F)(F)F)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2)c1
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1
Nc1n[nH]c2nc(cc(-c3ccc(F)cc3)c12)-c1ccccc1
Nc1n[nH]c2nc(cc(-c3ccccc3)c12)-c1ccccc1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Nc1nc(cs1)-c1ccc(O)cc1
Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Nc1ncccc1-c1nc2ccccc2[nH]1
Nc1ncnc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)c1Cl
Nc1ncnc(Nc2cc3c(C(=O)NC33CCCCC3)c(Cl)c2)c1Cl
Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
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(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,)|
Nc1ncnc2n(ccc12)-c1cc2c(C(=O)NC22CCCC2)c(Cl)c1
Nc1ncnc2n(ccc12)-c1cc2c(C(=O)NC22CCCCC2)c(Cl)c1
Nc1ncnc2n(ccc12)-c1ccc2C(=O)NCc2c1
Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
Nc1snnc1-c1ccc(cc1)C(F)(F)F
O=C(CNC(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)N1CCOCC1
O=C(Cn1cc(ccc1=O)-c1ccc2cn[nH]c2c1)c1ccccc1
O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1
O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCC(CC1)c1ccncc1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCC2(CCCCN2)CC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCC2(CCCCN2)CC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCC2(COC2)CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCCOCC1)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)c1ccccc1
O=C(N1CCN(CC1)C1CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCNC(=O)C1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCNC(=O)C1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3cnc4ccccc4c3)n2c1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(cc3)C#N)c2n1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncnc(Nc3ccccc3)c2n1
O=C(N1CCNCC1)c1ccc(cc1)-c1cccnc1
O=C(N1CCNCC1)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
O=C(N1CCNCC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCNCC1)c1cccc(c1)-c1ccc2ncnc(Nc3ccccc3)c2n1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4ncccc4c3)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3cnc4ccccc4c3)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
O=C(N1CCOCC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCOCC1)c1ccc(cc1N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCOCC1)n1cc(ccc1=O)-c1ccc2cn[nH]c2c1
O=C(NC1CC1)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
O=C(NCCN1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(Nc1cc(Nc2ccc3C(=O)NC4(CCCC4)n3c2=O)ncn1)C1CC1
O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1
O=C(OCc1ccccc1)N1CCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
O=C1CC(CN1)Nc1ncc(C#N)c(n1)-n1cnc2ccccc12
O=C1CCCN1CCCNc1ccnc(n1)-n1cnc2ccccc12
O=C1CCCN1CCCNc1nccc(n1)-n1cnc2ccccc12
O=C1CCCN1CCOc1ncc(C#N)c(n1)-n1cnc2ccccc12
O=C1Cc2cc(ccc2N1)-n1ccc2cncnc12
O=C1NC(c2ccsc2)c2cc(Nc3ccncn3)ccc12
O=C1NC2(CCCC2)n2c1ccc(Nc1ccncn1)c2=O
O=C1NC2(CCCCC2)n2c1c(cc(Nc1ccncn1)c2=O)-c1ccccc1
O=C1NC2(CCCCC2)n2c1c(cc(Nc1ccncn1)c2=O)C1CCOCC1
O=C1NC2(CCCCC2)n2c1ncc(Nc1ccncn1)c2=O
O=C1NC2CC2c2cc(Nc3ccncn3)ccc12
O=C1NCCCCC1Nc1ccnc(n1)-n1cnc2ccccc12
O=C1NCCCCC1Nc1nccc(n1)-n1cnc2ccccc12
O=C1NCCc2[nH]c(cc12)-c1ccncc1
O=C1NCCc2cc(Nc3ccncn3)ccc12
O=C1NCc2cc(ccc12)-c1nccc2C(=O)NCc12
O=C1NCc2cc(ccc12)-n1cc(-c2ccccc2C#N)c2cncnc12
O=C1NCc2cc(ccc12)-n1cc(-c2ccncc2)c2cncnc12
O=C1NCc2cc(ccc12)-n1cc(-c2cscn2)c2cncnc12
O=C1NCc2cc(ccc12)-n1ccc2cncnc12
O=C1NCc2cc(ccc12)-n1cnc2cncnc12
O=C1NCc2cc(ccc12)-n1ncc2cnccc12
O=C1NCc2cc(ncc12)-n1ccc2cnccc12
O=C1NCc2nc(ccc12)-n1ccc2cnccc12
O=C1NCc2nc(ncc12)-n1ccc2cnccc12
O=c1[nH]sc2cc(Nc3ccncn3)ccc12
O=c1c(Nc2ccncn2)ccc2C(=S)NC3(CCCCC3)n12
O=c1ccc(cn1CCc1ccccc1)-c1ccc2cn[nH]c2c1
O=c1ccc(cn1Cc1ccccc1)-c1ccc2cc[nH]c2c1
O=c1ccc(cn1Cc1ccccc1)-c1ccc2cn[nH]c2c1
O=c1oc2ccccc2n1-c1ccnc(NCCc2ccncc2)n1
OC(=O)C1CC(C1)Oc1ncc(Cl)c(n1)-n1cnc2ccccc12 |(6.85,2.02,;5.52,2.79,;5.52,4.33,;4.18,2.02,;3.76,.52,;2.28,.92,;2.67,2.4,;.94,.15,;-.39,.92,;-.39,2.46,;-1.72,3.23,;-3.06,2.46,;-4.39,3.23,;-3.06,.92,;-1.72,.15,;-4.39,.15,;-5.8,.77,;-6.83,-.37,;-6.06,-1.71,;-6.54,-3.17,;-5.5,-4.31,;-4,-3.99,;-3.52,-2.53,;-4.55,-1.39,)|
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
OC(=O)c1cc(nc(NCCc2ccncc2)n1)-n1cnc2ccccc12
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OC(=O)c1ccc(cc1)-c1cccnc1
OC(=O)c1ccc(s1)-c1cccnc1
OC1CC(C1)Nc1ncc(Cl)c(n1)-n1cnc2ccccc12 |(6.16,3.32,;4.83,2.55,;4.43,1.06,;2.94,1.46,;3.34,2.95,;1.61,.69,;.28,1.46,;.28,3,;-1.06,3.77,;-2.39,3,;-3.73,3.77,;-2.39,1.46,;-1.06,.69,;-3.73,.69,;-5.13,1.32,;-6.16,.17,;-5.39,-1.16,;-5.87,-2.63,;-4.84,-3.77,;-3.33,-3.45,;-2.86,-1.99,;-3.89,-.84,)|
OC1CCC(CC1)Nc1nccc(n1)-n1cnc2ccccc12 |(-4.4,-6.25,;-4.01,-4.77,;-5.09,-3.68,;-4.7,-2.19,;-3.21,-1.79,;-2.12,-2.88,;-2.52,-4.37,;-2.81,-.3,;-1.32,.09,;-.23,-.99,;1.25,-.6,;1.65,.89,;.56,1.98,;-.92,1.58,;.96,3.47,;.06,4.71,;.96,5.96,;2.43,5.48,;3.76,6.25,;5.09,5.48,;5.09,3.94,;3.76,3.17,;2.43,3.94,)|
OC1CCCC1Nc1nccc(n1)-n1cnc2ccccc12
OC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
OC1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
OC1CCN(CC1)c1ncc(Cl)c(n1)-n1cnc2ccccc12
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
OCCNc1ncc(Cl)c(n1)-n1cnc2ccccc12
OCCNc1nccc(n1)-n1cnc2ccccc12
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OCc1cc(ccc1C(=O)N1CCNCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
OCc1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
OCc1cc(ccc1C(=O)N1CCOCC1)-c1ccn2ncc(-c3ccc(cc3)C#N)c2n1
OCc1ccc(cc1)-c1cccnc1
O[C@@H]([C@@H](Nc1ccnc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
O[C@@H]([C@@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
O[C@@H]1CC[C@@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
O[C@@H]1CC[C@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
O[C@@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
O[C@@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
O[C@@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@H]([C@H](Nc1ccnc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
O[C@H]([C@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1)c1ccccc1 |r|
O[C@H]1CC[C@@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
O[C@H]1CC[C@H](C1)Nc1nccc(n1)-n1cnc2ccccc12 |r|
O[C@H]1CC\C=C\c2cc(O)cc(O)c2C(=O)OCC\C=C\[C@H]1O |r,t:4,20|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC(O)CC1 |r|
O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
O[N+](=O)c1ccc2n(cnc2c1)-c1nc(NCCc2ccncc2)ncc1Cl
O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Oc1c(oc2ccc(Cl)cc2c1=O)-c1ccncc1
Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
Oc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ccn1
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Oc1ccc(Nc2ncnc3ccc(nc23)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Oc1ccc(cc1)-c1cnc2cnc(NC(=O)c3ccccc3)cn12
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCOCC1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccccc1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1ccc(cc1)-n1ccnc1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Oc1ccccc1Nc1nccc(n1)-c1c[nH]c2ccccc12
Oc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc12
S=c1oc2ccccc2n1-c1ccnc(NCCc2ccncc2)n1
[#6]-[#8]-c1cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6])c(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\C1([#6])[#7]-[#6](=O)-c2c(Cl)cc(-[#7]-c3ccncn3)c(=O)n12
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[O-][N+](=O)c1cc(ccc1C(=O)N1CCOCC1)-c1ccc2ncc(I)n2n1
[O-][N+](=O)c1ccc(NCCNc2ccnc(n2)-n2cnc3ccccc23)nc1
[O-][N+](=O)c1ccc(NCCNc2nccc(n2)-n2cnc3ccccc23)nc1
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1
c1cc2cncnc2n1-c1ccc2cnccc2c1
c1sc(nc1-c1cccnc1)-c1cccnc1