2414 SMILES Strings for Cathepsin B

Compound Name
SMILES String
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O |r|
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O |r|
[H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)CC)C(O)=O |r|
[H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)CC)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC |r|
CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 |r|
[H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r|
[H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O |r|
[H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r|
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O |r|
COC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C(C)C |r|
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C(C)C |r|
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C1CCCCC1 |r|
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CCCCC1 |r|
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CC[C@H](C)CC1 |r,wU:12.13,25.27,wD:12.14,4.6,(2.85,-4.57,;1.52,-3.8,;1.52,-2.26,;.18,-1.49,;.18,.05,;1.52,.82,;2.85,1.59,;-1.15,.82,;-2.59,.29,;-3.55,1.49,;-2.7,2.78,;-1.22,2.36,;-5.09,1.49,;-6.42,.72,;-5.09,3.03,;-6.42,3.8,;-6.42,5.34,;-7.76,3.03,;-9,3.94,;-10.25,3.03,;-9.77,1.57,;-8.23,1.57,;-4.69,.01,;-5.66,-1.19,;-5.12,-2.63,;-3.6,-2.87,;-3.05,-4.31,;-2.62,-1.68,;-3.17,-.24,)|
Fc1ccc(c(F)c1F)-c1ccccc1OCC=O
CCCc1ccc(c(F)c1F)-c1ccccc1OCC=O
CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CSC[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CS(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CS(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)C[C@H](N[C@@H](c1cccc(F)c1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CC(C)CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Fc1ccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r|
Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F |r|
Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1cccc(F)c1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1ccccc1-c1ccccc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
CC(C)(c1ccc(F)cc1)S(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nccs1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nc2ccccc2s1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC#N |r|
CCCC[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|
CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1F)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(F)c1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)c(F)c1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cc(F)cc(F)c1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(C)cc1)C(F)(F)F)C(=O)NCC#N |r|
COc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C#N)C(F)(F)F)C(=O)NCC#N |r|
CSc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(Oc2ccccc2)cc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccsc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1nccs1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1nc(C)no1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ncccn1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc2[nH]cnc12)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r|
C[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1cccnc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
C[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNc1cccc(F)n1 |r|
COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1=O |r|
CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
CC(C)C[C@H](N(C)C(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
C[NH2+][C@@H](CC(C)C)C(=O)N1CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)C1 |r|
CC(C)C[C@@H](CN1CC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3cccnc3c2)C(=O)C1)NC(=O)OCc1ccccc1 |r|
CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1 |r|
O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCOCC1
O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)N1CCOCC1
O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1
CC(C)CC(C(=O)NCC#N)c1ccc(cc1)-c1ccccc1
CC(C)CC(C(=O)NCC#N)c1cncc(c1)-c1ccccc1
CC(C)CC(C(=O)NCC#N)c1csc(n1)-c1ccccc1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C(N)=O
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1nnn[nH]1 |r|
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCOCC1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCOCC1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCOCC1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cncnc1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccn1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccnc1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccncc1
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1ccncc1 |r|
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc2cc[nH]c2c1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCNCC1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 |r|
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1=CCNCC1 |t:25|
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1CCNCC1
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C12CCN(CC1)CC2 |r|
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C |r|
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)=O)CC1 |r|
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)(C)C |r|
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1 |r|
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)O)CC1 |r|
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)N)CC1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1cccc(CC(=O)NCC#N)c1
CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)C(=O)NCC#N
CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N
CC[C@H](C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CCC1)C(=O)NCC#N
Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r|
Clc1cccc(C[C@H](NC(=O)C2CCCCC2)C(=O)NCC#N)c1 |r|
Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1 |r,t:11|
Clc1cccc(C[C@H](NC(=O)C2CCCCCC2)C(=O)NCC#N)c1 |r|
Cc1ccc(cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Cc1cccc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Cc1ccccc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r|
Cc1ccc(C)c(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Cc1cccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c1C |r|
Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r|
Clc1cccc(C[C@H](NC(=O)c2cccc3CCCCc23)C(=O)NCC#N)c1 |r|
Clc1cccc(C[C@H](NC(=O)c2ccnc3ccccc23)C(=O)NCC#N)c1 |r|
Cc1ccc2cc(C)cc(C(=O)N[C@@H](Cc3cccc(Cl)c3)C(=O)NCC#N)c2c1 |r|
Cc1nn(C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
Cc1nc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c(C)o1 |r|
Cc1nc(C)c(s1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c(C)s1 |r|
CCc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
CC(C)c1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|
Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r|
Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(C)cc2)cc1N
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
O=C(NCc1cccs1)C(OC(=O)c1cccs1)c1ccccn1
Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl |c:12|
Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
COc1ccc(cc1)C(=O)c1n[o+]n([O-])c1C(=O)c1ccc(OC)cc1
Nc1nonc1-c1noc(n1)N1CCCCC1
COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
Cc1nonc1-c1nnc([nH]1)-c1nonc1N
O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccco1
O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)Nc1ccccc1
O=C1CC(Cc2nc(ncc12)N1CCc2ccccc2C1)c1ccco1
CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cccc(C)c1
Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
O=C(CNC(=O)c1ccco1)OC(C(=O)c1ccccc1)c1ccccc1
CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|
O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
O=S(=O)(N1CCOCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cn1c2cn(c(-c3ccccc3)c2c(=O)n(C)c1=O)-n1cnnc1
CCOc1nc(nc(n1)N1CCCCC1)C#N
COc1ccc(cc1)N(CC(=O)NCC1CCCO1)S(=O)(=O)c1c(C)noc1C
CCOC(=O)c1s\c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)n(C)c1C
CCOc1ccc(CCNC(=O)Cn2c(nc3ccccc23)-c2nonc2N)cc1OCC
COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1
CCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
CCCCOc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
COc1cc(Cn2c(nc3ccccc23)-c2nonc2N)ccc1C
Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1
CC(=O)OC1(Oc2ccccc2NC1=O)C(F)(F)F
Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
O=C(CNC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O
COc1nc(nc(n1)N1CCCC1)N(CC(N)=O)C#N
Cn1ncnc2c1nc(=O)n(C)c2=O
O=c1[nH]c(Nc2ccccc2)cc2ccccc12
COC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
CCSc1ccccc1C(=O)n1nnc2ccccc12
Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
Nc1nonc1-c1nc2ccccc2[nH]1
Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCN(CC1)c1ccc(F)cc1
COc1ccc(C)c(Cn2c(nc3ccccc23)-c2nonc2N)c1
N#Cc1nc(nc(n1)N1CCOCC1)N1CCCCC1
COc1ccc(cc1)C(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1
Nc1nc2N=C3CCCCC3C3(CCCCC3)n2n1 |t:4|
COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
Nc1nonc1-c1nc2ccccc2n1CCOC=C
COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Cc1cccc(C)c1C(=O)OCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
[#6]-c1cccc(-[#6])c1-[#6](=O)-[#8]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O |r|
[H][C@](NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)(C(C)CC)C(=O)NCCc1ccc(O)cc1
CCCNC1OC1C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@@H]1C(O)=O |r|
CCC(C)[C@H](NC(=O)C1OC1NCC(C)C)C(=O)N1CCC[C@@H]1C(O)=O |r|
CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O |r|
Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1N
COc1cc(N)n(n1)S(=O)(=O)c1ccc(C)cc1
COc1ccc(NC(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1
Cc1csc(c1)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccccc1
Nc1cc(OC(=O)c2cc3ccccc3s2)nn1S(=O)(=O)c1ccccc1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(C)=O)cc1N
COc1ccc(cc1)S(=O)(=O)n1nc(OC(C)=O)cc1N(C(C)=O)C(C)=O
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
O=C(Oc1ccccc1)c1cccs1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccncc2)cc1N
Cc1ccc(cc1)S(=O)(=O)NNC(=O)CC#N
CS(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
COc1ccc(cc1)S(=O)(=O)n1nc(OCc2cccs2)cc1N
Cc1ccc(cc1)S(=O)(=O)n1ccc(=O)[nH]1
Cc1ccc(cc1)S(=O)(=O)n1ccc(OC(=O)c2cccs2)n1
COc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)Nc1cccs1
Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)c1cccs1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1NC(=O)c1cccs1
COc1ccc(cc1)S(=O)(=O)n1nc(OS(=O)(=O)c2cccs2)cc1N
COc1ccc(cc1)S(=O)(=O)n1nc(OS(=O)(=O)C(F)(F)F)cc1N
OC(CS)C(O)CSC(=O)c1cccs1
Cc1ccc(Cn2c(nc3ccccc23)-c2nonc2N)cc1
Nc1nonc1C(=O)OCC(=O)N1CCOCC1
COCCNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1cccnc1)c1cccc(OC)c1
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(Cl)c1Cl)C(=O)OC |c:5,t:8|
COC(=O)Sc1nc(N2CCOCC2)c2COC(C)(C)Cc2c1C#N
CCOC(=O)C(N(C#N)c1nc(SC)nc(n1)N(C)C)C(=O)OCC
CCC(=O)Oc1oc(nc1\C=N\c1ccccc1OC)-c1ccccc1
CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)-c1n[nH]c(=O)c2ccccc12
CCCCc1[nH]nc2OC(=N)C(C#N)C3(C(=O)N(CC)c4ccccc34)c12
COc1ccc2nc(CC(C)(C)CC(O)=O)c[n+]([O-])c2c1
Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccccc1F
O=C(Nc1sccc1C#N)c1cnccn1
Nc1nonc1-c1noc(n1)-c1ccc(Br)o1
CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1
Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)S(=O)(=O)c2c[nH]cn2)c1C
COc1ccc2nc(N=CN(C)C)sc2c1 |w:8.7|
OC(=O)c1ccccc1C(=O)NCc1ccc(F)cc1
COc1ccc(cc1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)n[nH]c1C
CCOC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
CC(=N)NS(=O)(=O)c1ccc(Cl)cc1
CSc1nc(cc(-c2cccs2)c1C#N)C1CC1
O=C(Nc1ccc(Nc2ccccc2)cc1)C1CC1
COc1ccccc1NC(=O)CCC(O)=O
COc1ccccc1OCC(=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc2OCOc2c1
CC(C)c1ccc(C)cc1OCc1nc(no1)-c1nonc1N
Cc1nnc2ccc(nn12)N1CCN(CC1)c1ccccn1
Brc1cncc(c1)C(=O)N1CCN(CC1)c1ccc(nn1)N1CCOCC1
COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(C)c(C)c2)C1
Fc1ccc(CNC(=O)C2CCC(=O)N2CCc2ccccc2)cc1
CCOC(=O)C=CC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,w:6.6|
COC(=O)C=CC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,w:5.5|
CC(C)CC(NC(=O)\C=C\c1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
COc1ccc(\C=C\C(=O)NC(CC(C)C)C(=O)N2CCC[C@H]2C#N)cc1 |r|
CC(C)CC(NC(=O)C(=C\c1ccccc1)\c1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)\C=C\c1ccccc1 |r|
COc1ccc(\C=C\C(=O)NC(Cc2ccccc2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)C(=C\c1ccccc1)\c1ccccc1 |r|
O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
CC(C)C[C@H](NC(C)=O)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)[C@H](NC(C)=O)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
COc1ccc(cc1OC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
COc1ccc(cc1OC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1 |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6](=O)-[#7]-1 |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6](=O)-[#7]-1 |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-[#16]-c1cc(Cl)c(Cl)cc1Cl |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#6]-c1ccccc1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCCCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCCC(=O)C1CCC(=O)N1 |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CSCC(O)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSCC(O)=O |r|
O=C(NC(CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1 |r|
O=C(N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1 |r|
O=C(N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1 |r|
F[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCCCC1 |r|
Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCCCC1 |r|
C[C@H]1CCC(CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,27.29,22.24,wD:1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,28.30,23.25,4.4,wD:21.23,1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,28.30,23.25,4.4,wD:21.23,1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,28.30,23.25,4.4,21.23,wD:1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
O=C(N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1cccc(c1)-n1cnnn1 |r|
F[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1cnnn1)C1CCCCC1 |r|
Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1cnnn1)C1CCCCC1 |r|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,32.35,27.30,4.4,wD:1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,26.29,wD:1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
CC1(C)CCC(CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r|
Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1ccnc1)C1CCCCC1 |r|
Cl[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1ccnc1)C1CCCCC1 |r|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(CC1)C#N
CC(C)C[C@H](NC(=O)C1CCC2(CC1)OCCO2)C(=O)NC1(CC1)C#N
CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCCO2)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)NCC(C)(C)CO2)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)C2=O)CC1)C(=O)NC1(CC1)C#N |r|
O=C(NC1(CCCCC1)C(=O)NC1(CC1)C#N)N1CCC2(CCCC2)CC1
CC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N |r|
FC(F)(C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N)Cc1ccccc1 |r|
CC(F)(F)C[C@H](NS(=O)(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CCC(C)(C)O2)CC1)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(C1)CCCCC2)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc21)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(C1)CCCc1ccccc21)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCOC11CCCCC1)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CC2(C1)CCN(CC2)C1CC1)C(=O)NC1(CC1)C#N |r|
CC(F)(F)C[C@H](NC(=O)N1CCC2(CN(CC3CC3)C(=O)C2)CC1)C(=O)NC1(CC1)C#N |r|
CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(C2)c2ccc(OC)cc2)CC1)C(=O)NC1(CC1)C#N |r|
CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N |r|
FC(F)(C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N)Cc1ccccc1 |r|
CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N |r|
CN1CCC(CC1)(NC(=O)[C@H](CC(C)(F)F)NC(=O)N1CCC2(CC2)CC1)C#N |r|
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O
FCC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Oc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1
Oc1ccc(C(=O)\C=C\c2cccnc2)c(O)c1
Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1
Oc1ccc(C(=O)\C=C\c2cccs2)c(O)c1
Oc1ccc(C(=O)\C=C\c2ccco2)c(O)c1
Oc1ccc(\C=C\C(=O)c2cccs2)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccco2)c(O)c1
Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1
Oc1cc(O)cc(c1)C(=O)\C=C\c1ccco1
Oc1cc(O)cc(c1)C(=O)\C=C\c1ccccc1
Oc1cc(O)cc(c1)C(=O)\C=C\c1ccsc1
Oc1cc(O)cc(c1)C(=O)\C=C\c1ccoc1
O=CN1N=C(CC1c1ccccc1)c1ccccc1 |c:3|
Clc1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:10|
Clc1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:10|
Clc1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:10|
COc1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:11|
COc1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:11|
COc1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:11|
[O-][N+](=O)c1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:12|
[O-][N+](=O)c1cccc(c1)C1CC(=NN1C=O)c1ccccc1 |c:12|
[O-][N+](=O)c1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:12|
O=C(N1N=C(CC1c1ccccc1)c1ccccc1)c1ccccc1 |c:3|
Clc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Clc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
Clc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:10|
COc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:11|
COc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:11|
COc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:11|
[O-][N+](=O)c1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
[O-][N+](=O)c1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
[O-][N+](=O)c1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1 |c:12|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1C)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1cc(C)nn1C1CCC1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)c1nc2ccccc2o1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1cc(C)nn1C1CCC1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)c1nc2ccccc2o1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(I)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(I)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Br)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC(C)(NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
Clc1ccc(cc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(=O)C(=O)NC1CC1)S(=O)(=O)c1ccccc1Cl |r|
CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
Clc1ccc(cc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NC1CC1)S(=O)(=O)c1ccccc1Cl |r|
CCCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|
CCCCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r|
C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r|
CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|
CCCC(C)NC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC(F)(F)F |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC(C)C |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r|
CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)cc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)cc1Cl)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)N(C)C1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1ccccc1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1cccc2ccccc12 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1ccc2ccccc2c1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1cccc2ccccc12 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CCOCC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCOC |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC(C)C |r|
CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)N1CCOCC1)C(=O)C(=O)NC1CC1 |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)N1CCOCC1)C(=O)C(=O)NC1CC1 |r|
CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r|
CCCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl |r|
CCCCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl |r|
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r|
CN(N=C(c1ccccc1)c1cccc(c1)C(=O)c1ccccc1)C(N)=S |w:2.1|
NC(=S)NN=C(c1ccccc1)c1cccc(c1)C(O)c1ccccc1 |w:18.20,4.3|
NC(=S)NN=C(c1cc(Br)cc(c1)C(=O)c1ccccc1F)c1ccccc1F |w:4.3|
NC(=S)NN=C(c1ccc(F)cc1)c1cccc(c1)C(=O)c1ccc(F)cc1 |w:4.3|
COc1ccc(cc1)C(=O)c1cccc(c1)C(=NNC(N)=S)c1ccc(O)cc1 |w:17.19|
COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=O)c1ccc(O)cc1 |w:9.10|
COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=NNC(N)=S)c1ccc(O)cc1 |w:21.23,9.10|
CC(C)Oc1ccc(cc1)C(=O)c1cccc(c1)C(=NNC(N)=S)c1ccc(OC(C)C)cc1 |w:19.21|
NC(=S)NN=C(c1ccc(Br)cc1)c1cccc(c1)C(=NNC(N)=S)c1ccc(Br)cc1 |w:4.3,20.22|
COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=NNC(N)=S)c1ccc(OC)cc1 |w:21.23,9.10|
O=C1NC(Nc2ccccc12)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Cc1ccc(cc1)C1NC(=O)c2ccccc2N1
COc1ccc(cc1)C1NC(=O)c2ccccc2N1
Clc1ccc(cc1)C1NC(=O)c2ccccc2N1
Fc1ccc(cc1)C1NC(=O)c2ccccc2N1
Brc1ccc(cc1)C1NC(=O)c2ccccc2N1
CN(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
O=C1CCC2(CC1)Nc1ccccc1C=N2 |c:16|
O=C(N\N=C\c1ccccc1)c1ccccc1
Cc1ccc(\C=N\NC(=O)c2ccccc2)cc1
Clc1ccccc1\C=N\NC(=O)c1ccccc1
Clc1cccc(\C=N\NC(=O)c2ccccc2)c1
Clc1ccc(\C=N\NC(=O)c2ccccc2)cc1
COc1ccccc1\C=N\NC(=O)c1ccccc1
COc1cccc(\C=N\NC(=O)c2ccccc2)c1
COc1ccc(\C=N\NC(=O)c2ccccc2)cc1
[O-][N+](=O)c1ccccc1\C=N\NC(=O)c1ccccc1
[O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccccc2)c1
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccccc2)cc1
c1ccc(cc1)-c1nnc(o1)-c1ccccc1
Cc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Clc1ccccc1-c1nnc(o1)-c1ccccc1
Clc1cccc(c1)-c1nnc(o1)-c1ccccc1
Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1
COc1ccccc1-c1nnc(o1)-c1ccccc1
COc1cccc(c1)-c1nnc(o1)-c1ccccc1
COc1ccc(cc1)-c1nnc(o1)-c1ccccc1
[O-][N+](=O)c1ccccc1-c1nnc(o1)-c1ccccc1
[O-][N+](=O)c1cccc(c1)-c1nnc(o1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
CCOC(=O)[C@@H]1O[C@H]1C(=O)N(CC(N)=O)NC(=O)C1CCCN1C(C)=O |r|
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F |r|
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1ccccc1F
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1F
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1F
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)ccc1F
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1
NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
NCCCCC(NC(=O)C1CCCC1)C(=O)COC(C(F)(F)F)C(F)(F)F
COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1c(F)ccc(F)c1F
NCCCCC(NC(=O)c1ccccn1)C(=O)COc1c(F)ccc(F)c1F
NCCCCC(NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1
COC(C)(C)C(=O)NC(CCCCN)C(=O)COC(C(F)(F)F)C(F)(F)F
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C1(CCCCC1)C(F)(F)F
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(C)cc(C)nc1C
CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |wU:22.22,24.24,wD:14.14,(-2.6,-5.27,;-1.26,-6.04,;.07,-5.27,;1.41,-6.04,;2.74,-5.27,;2.74,-3.73,;4.07,-2.96,;5.41,-3.73,;5.41,-5.27,;4.07,-6.04,;6.73,-2.93,;8.07,-3.67,;8.1,-5.21,;9.39,-2.88,;10.74,-3.62,;10.77,-5.16,;12.12,-5.91,;12.15,-7.45,;13.44,-5.11,;12.06,-2.83,;12.03,-1.29,;13.41,-3.57,;14.73,-2.78,;14.7,-1.24,;16.01,-.44,;17.41,-1.09,;18.46,.03,;17.72,1.38,;16.2,1.09,;15.08,2.14,;16.07,-3.52,;16.1,-5.06,)|
CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O
NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F
OC1Oc2ccccc2CC1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
COc1ccc2OC(O)C(Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Cc1ccc2OC(O)C(Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
COC(=O)c1ccc2OC(O)C(Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1Cc2ccccc2OC1O
CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r|
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r|
C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r|
C[n+]1ccccc1\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
O=C(CN1C(=O)[C@@H](NC(=O)OCc2ccccc2)COc2ccccc21)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)cc12
CC(C)C[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-]
O=C(CN1C(=O)[C@@H](NC(=O)c2ccccc2)COc2ccccc21)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
O=C(CN1C(=O)[C@@H](NC(=O)c2ccc3ccccc3n2)COc2ccccc21)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
COc1ccc2c(O[C@@H]3C[C@@H](N(C[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C3)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NC3CC3)nccc2c1 |r|
CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1
c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)C#N)Cl
Cn1cccc1-c1ccc([N+]([O-])=O)c2cccnc12
Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2o1
CC1CCN(CC1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O
COCCN(CC1CCN(Cc2nc3ccccc3s2)CC1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O
CN(CC#N)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O
Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C(=O)NCC#N)[N+]([O-])=O
[O-][N+](=O)c1ccc(C(=O)NCC#N)c2ncccc12
Nc1ccc2c(ccc(O)c2n1)[N+]([O-])=O
CN(CC#N)C(=O)c1ccc2c(ccc(O)c2n1)[N+]([O-])=O
Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC1CCN(CC1)c1nc2ccccc2s1
Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NCC#N
Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C#N)[N+]([O-])=O
Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NC1(CC1)C#N
Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O
Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NC1(CC1)C#N
Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O
Oc1c(cc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O
Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)NCC#N
c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]
COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12
Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N1CCOCC1
Oc1ccc([N+]([O-])=O)c2ccc(nc12)C#N
CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O
Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1
Oc1ccc(cc1C(=O)NCC#N)[N+]([O-])=O
CC(=O)c1ccc(cc1)-c1occc1-c1ccc([N+]([O-])=O)c2cccnc12
Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1
CC(=O)c1ccc(cc1)-c1cc(c(o1)-c1ccc(cc1)C(C)=O)-c1ccc([N+]([O-])=O)c2cccnc12
Oc1ccc(cc1C(=O)NC1(CC1)C#N)[N+]([O-])=O
OC(=O)c1ccc2c(ccc(O)c2n1)[N+]([O-])=O
Oc1ccc(cc1C(=O)N1CCOCC1)[N+]([O-])=O
Oc1ccc(cc1CN1CCOCC1)[N+]([O-])=O
Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N1CCCCC1
O=C(NC1(CC1)C#N)[C@@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)C(=O)NC3(CC3)C#N)c2c1 |r|
Clc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1
O=C(NC1(CC1)C#N)[C@H](Cc1cscn1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
O=C(NC1(CC1)C#N)[C@H](Cc1ccccn1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
CN1CCN(CC1)C(=O)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(ncc1Br)C#N
CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@H](Cc1ccc(O[C@@H]2CCNC2)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
O=C(NC1(CC1)C#N)[C@H](Cc1ccncc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NC1(CCS(=O)(=O)CC1)C#N |r|
COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1
CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
CN(C)c1ccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cc1 |r|
NCCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r|
CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|
CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CCOC(=O)\C=C\[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CCOC(=O)\C=C\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|
CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r|
CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|
CCOC(=O)\C=C\C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CCOC(=O)\C=C\[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|
CCOC(=O)\C=C\[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
COc1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1
O[C@@H](CNc1nc(nc(n1)N1CCOCC1)C#N)c1ccccc1 |r|
FC(F)(F)Oc1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1
Fc1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1
FC(F)(F)Oc1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1
FC(F)(F)Oc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1
Fc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1
COc1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1
COc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1
O[C@H](CNc1nc(nc(n1)N1CCOCC1)C#N)c1ccccc1 |r|
Fc1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1
[O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1
[O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1
FC(F)(F)Oc1ccc(Nc2nc(nc(n2)N2CCOCC2)C#N)cc1
COc1cccc(Nc2nc(nc(n2)N2CCOCC2)C#N)c1
[O-][N+](=O)c1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1
Fc1cccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)c1
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
COc1cc2c([nH]c3c4C=CC(C)(C)Oc4c(C)cc23)c(c1O)-c1c(O)c(OC)cc2c1[nH]c1c3C=CC(C)(C)Oc3c(C)cc21 |c:9,40,(-.28,-.22,;-.29,-1.76,;1.05,-2.54,;2.38,-1.78,;3.7,-2.55,;3.69,-4.09,;5.15,-4.57,;6.06,-3.32,;7.59,-3.17,;8.48,-4.42,;10.01,-4.28,;10.65,-2.88,;12.05,-3.52,;11.63,-1.68,;9.77,-1.62,;8.24,-1.77,;7.33,-.51,;7.96,.9,;5.8,-.66,;5.16,-2.08,;2.37,-4.85,;1.04,-4.08,;-.29,-4.85,;2.28,-6.82,;3.61,-7.58,;4.94,-6.82,;3.6,-9.13,;4.93,-9.9,;4.93,-11.44,;2.27,-9.88,;.95,-9.11,;.96,-7.58,;-.5,-7.1,;-1.41,-8.34,;-2.94,-8.5,;-3.83,-7.25,;-5.36,-7.39,;-6.01,-8.78,;-7.4,-8.15,;-6.98,-9.98,;-5.12,-10.05,;-3.59,-9.9,;-2.68,-11.16,;-3.31,-12.56,;-1.15,-11,;-.51,-9.59,)|
[H][C@]12C[C@](C)(OC1(C)C)[C@@H](CC[C@@H](C)[C@@]1([H])CC=C3C4=C(CC[C@]13C)[C@@]1(C)C[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](C)C1=CC4)O[C@@]([H])(C2)[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@]12CC[C@](O)(OC1)[C@@H](C)[C@]2([H])[C@H](C3)OS([O-])(=O)=O |r,c:20,46,63,t:18|
[H][C@]12C[C@](C)(OC1(C)C)[C@@H](CC[C@@H](C)[C@@]1([H])CC[C@@]3([H])C4=C(CC[C@]13C)[C@@]1(C)C[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](C)C1=CC4)O[C@@]([H])(C2)[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@]12CC[C@](O)(OC1)[C@@H](C)[C@]2([H])[C@H](C3)OS([O-])(=O)=O |r,c:21,47,64|
Oc1c(I)cc(CC(NC(=O)C(CCc2ccccc2)N=CCS(=O)(=O)c2ccccc2)C(=O)NC(=O)NN2CCOCC2)cc1I |w:20.20|
O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34|
CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17|
O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1 |w:36.39|
NC(=S)N\N=C1/CCN(c2ccc(cc12)[N+]([O-])=O)[N+]([O-])=O
NC(=S)N\N=C1/CCNc2ccc(cc12)[N+]([O-])=O
CC(=O)N1CC\C(=N/NC(N)=S)c2ccccc12
CN1CC\C(=N/NC(N)=S)c2cc(Br)ccc12
NC(=S)N\N=C1/CCNc2ccc(Br)cc12
NC(=S)N\N=C1/CCc2ccc(Br)cc12
NC(=S)N\N=C1/CCCS(=O)(=O)c2ccc(cc12)[N+]([O-])=O
NC(=S)N\N=C1/CCCSc2ccc(cc12)[N+]([O-])=O
NC(=N)N\N=C1/CCSc2ccc(cc12)[N+]([O-])=O
NC(=S)N\N=C1/CCS(=O)(=O)c2ccc(N)cc12
NC(=S)N\N=C1/CC(Oc2ccccc12)c1ccccc1
NC(=S)N\N=C1/CCCCc2ccccc12
NC(=S)N\N=C1/CCCc2cc(N)ccc12
NC(=S)N\N=C1/CCCc2c(O)cccc12
COc1ccc2\C(CCCc2c1)=N\NC(N)=S
NC(=S)N\N=C1/CCN(c2ccccc12)[N+]([O-])=O
NC(=S)N\N=C1/CCCS(=O)(=O)c2cc(F)c(F)cc12
[#7]-[#6](=S)-[#7]\[#7]=[#6]-1\c2cc(ccc2-c2ccc(cc-12)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O
NC(=S)N\N=C1/CCNc2ccccc12
CS(=O)(=O)c1ccc2c(c1)\C(CCS2(=O)=O)=N\NC(N)=S
NC(=S)N\N=C1/CCc2ccccc2C1
NC(=S)N\N=C1/CCNc2c1cc(cc2[N+]([O-])=O)[N+]([O-])=O
NC(=S)N\N=C1/CCNc2c(Cc3ccccc3)cccc12
NC(=S)N\N=C1/CC(Nc2ccccc2)c2ccc(Br)cc12
NC(=S)N\N=C1/CCCSc2cc(F)c(F)cc12
NC(=S)N\N=C1/CCOc2ccc(Cl)cc12
COc1cccc2\C(CCCc12)=N\NC(N)=S
NC(=N)N\N=C1/CCS(=O)(=O)c2ccc(cc12)[N+]([O-])=O
COc1ccc2CCC\C(=N/NC(N)=S)c2c1
NC(=S)N\N=C1/CC[S+]([O-])c2ccc(cc12)[N+]([O-])=O
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O)C(N)=O |r|
CNCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1=CCCC1)C(N)=O |r,t:21|
Cc1ccc(cc1)-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)nc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(N)=O |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)OCc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)C(N)=O |r|
NC(O)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(N)=O |r|
CC(=O)Oc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Cc1cccc(c1)-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|
Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(=O)Oc1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCN1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(ccc1Cl)[N+]([O-])=O)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O |r|
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
Cc1ccccc1-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1cccc(N)c1)NC(=O)OCc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)OCc1ccccc1)C(N)=O |r|
NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(N)=O |r|
CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Oc1ccc(C(=O)\C=C\c2ccc(cc2)N2CCCC2)c(O)c1
Oc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1
COc1cc(O)ccc1\C=C\C(=O)c1ccc(N)cc1
COc1cc(O)ccc1\C=C\C(=O)c1ccc(F)cc1
COc1ccc(\C=C\C(=O)c2ccco2)cc1Br
COc1ccc(\C=C\C(=O)c2ccc(F)cc2)cc1Br
COc1ccc(C(=O)\C=C\c2ccc(OC)c(Br)c2)c(O)c1
COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1Br
Oc1ccc(C(=O)\C=C\c2ccc(F)cc2)c(O)c1
Oc1ccc(cc1)C(=O)\C=C\c1ccc(F)cc1
FCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Fc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1
COc1ccc(C(=O)\C=C\c2ccc(F)cc2)c(O)c1
COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1
COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1Br
COc1cc(O)ccc1\C=C\C(=O)c1ccc(NC(C)=O)cc1
COc1cc(O)ccc1C(=O)\C=C\c1ccc(F)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N1CCCC1
COc1ccc(\C=C\C(=O)c2cccs2)cc1Br
CCc1ccccc1S(=O)(=O)C1CO1
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38|
CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC
CCCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC
CCCCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)CCC(C)Cc1ccccc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)CCCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(C)C
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1
CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCc1ccccc1
CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1 |r|
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OC
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)CCCCc1ccccc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1
CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1
CCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CC(C)CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)CC |r|
CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCC(C)NC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)N(CC)Cc1ccccc1
CCCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(CC)Oc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(O)=O
CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)OCc1ccccc1
CCCCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)N(CC)CC
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 |r|
COC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)CCc1ccccc1
CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCC(C)C
CCCCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O
CCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]1C(=O)N1[C@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
COc1nsc(NC(CC(C)C)C(=O)N2CCCC2C(O)=O)n1
O=C(NCC1CN(C1)C#N)C1CCCCC1
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nc2n(C)c(=O)n(C)c(=O)c2n1C
CCOC(CNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)OCC
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccco1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:41,43|
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)N1CCOCC1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccncc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1nccc2ccccc12
CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OC)cc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccc(OC)c1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccn1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc12
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)CCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1CCCO1
CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cccnc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCN1CCOCC1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(OC)OC
CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)Cc1cccc2ccccc12
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cnccn1
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCCO
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:36,38|
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccn1C
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:35,37|
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1
CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccc2ccccc2n1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccnc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1
CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccco1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12
CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:42,44|
CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1
CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCO
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C
O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Oc1c(I)cc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1I |r|
CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|
CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|
C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cccc(C)c2o1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2c(C)cccc2o1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
CN(C)C(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)N[C@H]1CN(OCc2ccccc2)C1=O
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ncccc2o1
C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(=O)NCc1ccccc1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)P(=O)C(Oc1ccccc1)Oc1ccccc1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccc(C)cc2o1
Cc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
Cc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)cc1C |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
CCCCC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](COCc1cccc(c1)C(O)=O)C#N
CC(C)CC(NC(=O)c1cccc(c1)-c1ccncc1)C(=O)N(C)N(C)C#N
CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](\C=C\S(=O)(=O)c1ccccc1)c1ccc(cc1)-c1ccccc1 |r|
O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r|
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
CC(C)CC(NC(=O)c1ccc(Br)cc1)C(=O)N(C)N(C)C#N
OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O
CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1)C(=O)N(C)N(C)C#N
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CN(C[C@H]1O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
CC(C)C[C@@H](CN1CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)C(=O)C1)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)c1ccc(Oc2ccccc2)cc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(C[C@H]1O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)C1
CC(C)C[C@H](NC(=O)C1OC1C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN=[N+]=[N-] |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(O)=O)nn1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(C)(C)C)C(O)=O |r|
C[n+]1ccccc1C=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)(O)O
CC(C)C[C@H](NC(=O)CCCCCn1cc(CCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)nn1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)COC(=O)c1c(C)cccc1C |r,c:19,22,25|
CC(C)C[C@H](NC(=O)CCCCCn1cc(CCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)nn1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)COC(=O)c1c(C)cccc1C |r,c:19,22,25|
CC(C)C[C@H](NC(=O)CCc1ccc2C=C3C(C)=CC(C)=[N+]3[B-](F)(F)n12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)COC(=O)c1c(C)cccc1C |r,c:17,20,t:14|
O=C(NCCOCc1ccccc1)N1C(CC1=O)SCc1ccccn1
C[C@@H](NC(=O)N1C(CC1=O)SCc1cccnc1)c1ccccc1
C[C@@H](NC(=O)N1C(CC1=O)SCCc1ccccc1)c1ccccc1
CC[C@@H](NC(=O)N1[C@@H](SCc2ccccn2)[C@H](C)C1=O)c1ccccc1
C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
C[C@@H](NC(=O)N1C(CC1=O)Sc1ccccc1)c1ccccc1
CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
C[C@@H](NC(=O)N1C(CC1=O)SCC(=O)c1ccccc1)c1ccccc1
CC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
C[C@@H](NC(=O)N1C(CC1=O)SCc1ccncc1)c1ccccc1
CC(C)C[C@@H](COC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
C[C@@H](NC(=O)N1C(CC1=O)SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1
C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccc1)c1ccccc1
CC[C@H](NC(=O)N1C(CC1=O)SC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)c1ccccc1
CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C=O)N=[N+]=[N-]
CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C=O
CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C=O
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C=O
O=C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1
O=C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Cc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C=O)C#N
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)F
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(O)=O
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)C(F)(F)F
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C=O
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(=O)NCc1ccccc1
CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)NCc1ccccc1
CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)OCc1ccccc1
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(=O)NCc1ccccc1
CC(C)CC(NC(=O)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
CC(C)CC(NC(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N(C)N(C)C#N
CN(CCc1cnc[nH]1)c1cnc2[nH]c(=O)[nH]c(=O)c2n1
COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ccc(N2CCOCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C=O
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)C=O
CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=O)cc1
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C=O
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r|
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccc2ccccc2c1
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r|
FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
CC(C)[C@@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
CC(C)[C@@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
CC(C)[C@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
CC(C)[C@H]1C[C@@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
N#CN1CC(C1)OCC1CCCCC1
N#CN1CCC1
N#CN1Cc2cc3ccccc3nc2C1
N#CN1CC(C1)OCc1ccccc1
O=C(NC1CCN(C1)C#N)c1ccccc1
O=S(=O)(NCC1CCN(C1)C#N)c1ccccc1
O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
N#CN1CCC(COCc2ccccc2)C1
N#CN1CCCC1
O=C(NC1CCN(C1)C#N)OCc1ccccc1
O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
O=S(=O)(NCC1CN(C1)C#N)c1ccccc1
O=C(NCC1CCCN1C#N)c1ccccc1
O=C(NCC1CN(C1)C#N)c1ccccc1
CCN(CC)C#N
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
O=C1C(=O)c2cccnc2-c2ccccc12
COC(=O)CCC(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1cc(NC(=O)CCC(=O)OC)ccc-21
COC(=O)CCCCCCC(=O)Nc1ccc2-c3ccccc3C(=O)C(=O)c2c1
Fc1ccccc1C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
OC(=O)CNC(=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
COC(=O)CCC(=O)Nc1cccc2-c3ccccc3C(=O)C(=O)c12
CCCCC#Cc1cc(nc2ccc(OC)cc12)C(=O)OCC
Ic1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)cc1
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
NC(=N)c1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Ic1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(CO)c2)C#N)c1
COC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)C#N)c1
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CCCc2cccc(c2)C(O)=O)C#N)c1
CCc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Clc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)NCC#N)c1
Cc1cncc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](CCCc2cccc(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CC#Cc2cccc(c2)C(O)=O)C#N)c1
CCCCC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)NCC#N
Cc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Cc1cc(CN)cc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CCOc2cccc(c2)C(O)=O)C#N)c1
Cc1cc(C)cc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(Br)c1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(c1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(nn1C)C(C)(C)C)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(nn1C)C(C)(C)C)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(Br)cc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(Br)c1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(c1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(c1)-c1cccnc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cccc(c1)-c1cccnc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(cc1)-c1cccnc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(cc1)-c1cncnc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(cc1)-c1cncnc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C#N |r|
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(c1)-c1cncnc1)C#N |r|
CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1
CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1
CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C=Cc1ccc2ccccc2c1 |w:23.25|
CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NNC(=O)NC(C(C)C)C(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
CCCC[C@H](NC(=O)[C@@H](NC(=O)c1cccc(c1)C(N)=O)C(C)CC)C(=O)CO
CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
CCC(C)[C@H](NC(=O)c1cccc(c1)C(N)=O)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(C)=O
COCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1
CCOCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
CCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(CN)cc1)C(C)CC)C(=O)CO
COCCN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CC(C)CN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CCCN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCc2ccccc2)CC1=O)OCc1ccccc1
CC(C)N1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CC(C)C[C@@H](C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(c1)-c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(Cc2ccccc2)CC1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|
COc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2OC)cc1
COc1ccccc1\C=C\C=C\C(=O)c1cccnc1
COc1ccccc1\C=C\C=C\C(=O)c1ccc(O)cc1
CCOc1cc(O)ccc1C(=O)\C=C\C=C\c1ccccc1OC
COc1cc(\C=C\C=C\C(=O)c2ccc(O)cc2)ccc1O
Oc1ccc(\C=C\C(=O)c2ccco2)c2ccccc12
Oc1ccc(\C=C\C(=O)c2cccs2)c2ccccc12
COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c2ccccc12
Oc1ccc(C(=O)\C=C\c2ccc(O)c3ccccc23)c(O)c1
COc1ccc(\C=C\C(=O)c2ccc(O)cc2)c2ccccc12
Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c2ccccc12
COc1cc(\C=C\C(=O)c2ccco2)ccc1O
O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2SCCN2C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2=O)C1=O)OCc1ccccc1
O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1cccnc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
O=C(N[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1
CSCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1
NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1
CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CC(C)CO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OCc1ccccc1)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Sc1ccccc1)OCc1ccccc1
O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1 |r|
FC(F)(F)[C@H](N[C@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1 |r|
Cc1ccc(cc1)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Clc1ccccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
CC(C)C[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r|
CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O
Cc1ccc(cc1)S(=O)(=O)N1CCC1C(=O)NC(Cc1ccccc1)C=O
Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NC(Cc1ccccc1)C=O
Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C=O
CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O
CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1
NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1cccc2ccccc12
CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1
CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1
O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1
CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(CCCCC1)NC(=O)OCc1ccccc1
CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(CCCC1)NC(=O)OCc1ccccc1
O=C(NC1(CCCCC1)C(=O)N[C@H]1[C@@H](NC1=O)Oc1ccccc1)OCc1ccccc1
CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1CCCCN1C(=O)OCc1ccccc1
CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1CCCN1C(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(C)=O
O=C(CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1)NC1(CC1)C#N
Cn1nc(cc1C(=O)N(CC(=O)NCC#N)Cc1cccc(Cl)c1)C(C)(C)C
Cn1nc(cc1C(=O)N(CC(=O)NC1(CC1)C#N)Cc1ccccc1)C(C)(C)C
O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](Nc2ccc3CCC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(O)c2)C#N)c1
Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
CN1C(=O)c2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Cc1cccc(C[C@H](Nc2cccc(c2)S(C)(=O)=O)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
CN1Cc2ccc(N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](COCc3cccc(c3)C(O)=O)C#N)cc2C1=O
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(Cl)c(c2)C(O)=O)C#N)c1
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1
Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)-n2cnnn2)C#N)c1
OC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)Nc2ccccc2)C#N)c1
O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC(C)CC
CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C
CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCNCC3)ncc2Cl)c1
CN(C)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)c1
F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)S(=O)(=O)Oc1ccccc1 |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)\C=C(/F)S(=O)(=O)c1ccccc1 |r|
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCCC1)C=O
CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCC1)C=O
CCCC[C@H](NC(=O)OC(CC)(CC)Cc1ccccc1)C=O
CCCC[C@H](NC(=O)O[C@@H](CC)Cc1ccccc1)C=O
CCCC[C@H](NC(=O)O[C@@H](C)CC1CCCCC1)C=O
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
CC(C)C[C@H](Nc1cscc1-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N
CC(C)C[C@H](Nc1cscc1Br)C(=O)NCC#N
CC(C)C[C@H](Nc1cccc(c1)-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N
CC(C)C[C@H](Nc1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N
CC(C)C[C@H](Nc1ccccc1-c1ccc(cc1)N1CCNCC1)C(=O)NCC#N
CCCC[C@H](NC(=O)OCC1(CCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1
CCCC[C@H](NC(=O)OCC1(CCCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1
CCCC[C@H](NC(=O)OCC(C)(C)Cc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1ccn[nH]1
CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OCC(C)(C)c1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)CC)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)OC)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC
CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2CCCC2[C@H]1C(=O)NC(CC(F)F)C(=O)C(=O)NC1CC1
Cl[Au](Cl)Cl
[O-]C(=O)CC(S[Au])C([O-])=O
CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)Oc1cc(nc2ccccc12)-c1ccccc1
CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)N=Cc1cccc(c1)B(O)O |w:28.30|
CC(C)CN(CC(=O)N(CC(C)C)NC(=O)OCc1ccccc1)N=Cc1ccccc1B(O)O |w:25.26|
c1cc(cnc1)C(=O)N2CCN([C@@H](C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl
Clc1ccc(cc1Cl)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)c1cncc2ccccc12 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r|
C[C@@H](CC1CCCCC1)OC(=O)C1CCCN1C#N
C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N
C[C@@H](CC1CCCCC1)OC(=O)N[C@H]1CCN(C1)C#N
Fc1cc(F)cc(c1)C(=O)NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r|
O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1ccccc1 |r|
O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1)c1ccncc1 |r|
O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1)c1ccc2OCCOc2c1 |r|
Fc1cc(F)cc(c1)C(=O)NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1 |r|
CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13|
CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:13.12|
CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)O[C@H]1CCCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C
CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N
C[C@@H](CC1CCCCC1)OC(=O)CN(C)C#N
C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r|
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
COc1cc(Cl)cc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r|
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)OC(Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O
CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1nccs1
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NCc1ccno1
CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccccn1
CC(C)CC(NC(c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N
O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1
FC(F)(F)C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1
CC(C)C[C@H](NC(c1ccc(Br)cc1)C(F)(F)F)C(=O)NCC#N
CC(C)C[C@H](NC(=O)c1cccc2cccnc12)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1
O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc2ccccc12
O=C(N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2ccccc2o1
CCCC[C@H](NC(=O)OC(C)(C)C)C=O
CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1 |w:19.20|
CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1 |w:14.14|
CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12 |w:23.24|
CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1 |w:21.22|
CCCC[C@H](NC(=O)OC(C)(C)C)C=NN=C(O)N1CCc2ccccc12 |w:15.14|
CC(C)(C)NC1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
CC(C)C(C(=O)N[C@@H](Cc1ccccc1)C=O)C(=O)OCc1ccccc1
CC(C)CN(CCOCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
CC(C)CC(C(=O)N[C@@H](Cc1ccccc1)C=O)C(=O)OCc1ccccc1
CC(C)N(CCOCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1
c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2c3ccc(c(c3)Cl)Cl)C(=O)CCl
O=C1C=C(Nc2ccccc2N2CCNCC2)C2=NS(=O)(=O)c3cccc1c23
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2|
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|
Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1
CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(C)=O)\C=C\S(C)(=O)=O
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O |w:34.35|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:44.45|
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)\C=C\S(C)(=O)=O
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)\C=C\S(C)(=O)=O
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:43.44|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:39.40|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:41.43|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)\C=C\S(C)(=O)=O
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)\C=C\S(C)(=O)=O
CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)NC(=O)[C@@H](NC(CC(C)C)C(=O)[C@@]1(C)CO1)[C@@H](C)O
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)\C=C\S(C)(=O)=O
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O |w:35.36|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:43.44|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:42.43|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:42.44|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:39.40|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:38.39|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)\C=C\S(C)(=O)=O
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:37.39|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:43.45|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=CS(C)(=O)=O |w:45.47|
FC(F)(F)c1cccc(Nc2nc(Nc3cccc(c3)-c3ccsc3)ncc2Cl)c1
Nc1ccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)cc1
CC(=O)Nc1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)c1
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(CN2CCNCC2)n1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCNCC1
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(CC1)C(C)(C)C
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCC(C1)N(C)C
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1csc(n1)N1CCNCC1
CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
CN1CCN(CC1)c1ccc(CN(CC(C)(C)C)c2nccc(n2)C#N)cc1
CC(C)(C)CN(Cc1ccc(cc1)-c1ccccc1)c1nccc(n1)C#N
CC(C)(C)CN(Cc1ccc2ccccc2c1)c1nccc(n1)C#N
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1
COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Fc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
CC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Clc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Ic1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Brc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Brc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Clc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12
Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Ic1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccc1O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCC(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)CC(NC(=O)OCCC#N)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1ncc[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
COc1cccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 |r|
COc1cccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 |r|
COc1ccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1OC |r|
COc1ccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1OC |r|
COc1cccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 |r|
COc1cccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 |r|
COc1ccc(\C=C\C(=O)NC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1OC |r|
COc1ccc(\C=C\C(=O)NC[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1OC |r|
O[C@@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@@H](COC[C@@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@@H](COC[C@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@H](Cc1ccccc1)NC(=O)c1ccncc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@@H](COC[C@@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@@H](COC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|
O[C@H](COC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OCc1ccccc1)CN1CCN(CC1)c1ccccc1C#N |r|
Brc1ccc(cc1)S(=O)(=O)N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)Cc1ccccc1 |r|
O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
O=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1
Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
CN1CC(COc2cccc(C)c2C)OC1=O |w:3.3|
CC(C)CO[C@H]1CCN2C[C@H]1OC2=O
Cc1cccc(O[C@@H]2CCNC[C@H]2O)c1C
Cc1cccc(O[C@H]2CCN3C[C@@H]2OC3=O)c1C
Cc1cccc(O[C@@H]2CCNC[C@@H]2O)c1C
S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Br[C@H]1CCN2C[C@@H]1OC2=O
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1 |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)NCC#N)c1 |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CCCn2cc(nn2)C(O)=O)C#N)c1 |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CCCn2cc(CC(O)=O)nn2)C#N)c1 |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CCCCn2cc(nn2)C(O)=O)C#N)c1 |r|
COC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)c2ccc(F)cc2)C#N)nn1 |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](COCc2cn(CC(O)=O)nn2)C#N)c1 |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#C)c1 |r|
Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#C)c1 |r|
O=C(CSC#N)N1c2ccccc2CCc2ccccc12
O=C(CSC#N)N1c2ccccc2Sc2ccc(cc12)C#N
O=CCNC(=O)C1(CCCCC1)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1 |r|
CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
CC(C)C[C@H](NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
[H][C@@]1(C[C@H](NC(=O)[C@H](CCCC)NC(=O)OCc2ccccc2)\C=C\C(C)=O)CCNC1=O |r|
[H][C@@]1(C[C@H](NC(=O)[C@H](CC2CC2)NC(=O)OCc2ccccc2)\C=C\C(C)=O)CCNC1=O |r|
[H][C@@]1(C[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc2ccccc2)\C=C\C(C)=O)CCNC1=O |r|
Oc1cc2nc(-c3ccccc3)n(-c3ccccc3)c(=O)c2c(O)c1O
CC(C)C[C@@H](O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F |r|
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C
CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(Oc3cc(C[C@H](NC(=O)OCc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N1)ccc3[N+]([O-])=O)cc2)C=O |r|
C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
C\N=c1/nc(-c2ccc(F)cc2)n(s1)-c1ccccc1
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(N)=O
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C\[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1)-c1ccccc1 |t:22|
CN1C(=O)[C@H](Cc2ccccc2)NC(=O)COCCOc2ccc(F)cc2CN1C#N
CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCCCOc2ccc(F)cc2CN1C#N
CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCCOc2ccc(F)cc2CN1C#N
CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)COc2ccc(Cl)cc2Cl)CCCOc2ccc(F)cc2CN1C#N
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCCCC1)N(C#N)Cc1ccc(Cl)cc1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C1CCCC1)C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1ccc(Cl)cc1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F
CN(C(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F
CN(C(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F
CN(C(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F
CN(C(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F
CN(C(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)C)N(C#N)Cc1cccc(Cl)c1F
CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N[C@@H]2CCCC[C@@H]2NC(=O)c2cc(=O)[nH]c3c(F)cccc23)CC1
CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C
CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)N[C@H](C#N)CCc1ccccc1
CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)N[C@H](C#N)COCc1ccccc1
CS(=O)(=O)C[C@H](N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)N[C@H](C#N)COCc1ccccc1
N#C[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F
N#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F
N#CC1(NC(=O)[C@H](CC2CCCCC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1
O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
O=C(NC1(CC1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|
N#C[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1
N#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1
N#CC1(NC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCOCC2)CC1
N#C[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccncc1
O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1ccncc1
N#CC1(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccncc2)CC1
O=C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
O=C(CS(=O)(=O)c1ccccc1)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
O=C(N/N=C/[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1
O=C(N/N=C(CS(=O)(=O)c1ccccc1)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1
O=C(OCC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1
O=C(SCC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)c1ccccc1
O=C(CO)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
O=C1NC(=O)C(=C/C=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1
CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4ccccc4[nH]3)C[C@@H]21
CC(C)c1ccc(F)c2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C4(C)C)cc12
CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C3(c4cccc(Cl)c4)CC3)C[C@@H]21
CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)C3(c4ccccc4)CCCC3)C[C@@H]21
Cn1c(=O)c2c(nc(S(C)(=O)=O)n2C)n(CC#Cc2cccc(NC(=O)CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c2)c1=O
[O-][S+](Cc1cccnc1)c1nnc(-c2ccc(Br)cc2)o1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
CC(C)C(Nc1ccccc1)C(=O)N1CCCCN1C#N
CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCCN1C#N
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCCN1C#N
CC(C)C(Nc1cccc(C)c1)C(=O)N1CCCCN1C#N
CC(C)C(Nc1cccc(c1)C#N)C(=O)N1CCCCN1C#N
CC(C)C(Nc1cccc(c1)C(F)(F)F)C(=O)N1CCCCN1C#N
CC(C)C(Nc1cccc(Cl)c1)C(=O)N1CCCCN1C#N
CC(C)C(Nc1ccc(Cl)cc1)C(=O)N1CCCCN1C#N
O=C[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CCc1ccccc1 |r|
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r|
CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1CO1)OCc1ccccc1 |r|
COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H]1O[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H]1O[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CCOC(=O)C(C)=C=C(c1ccccc1)c1ccccc1
CC(C)CNc1nc(nc(N2CCNCC2)c1N)C#N
CC(C)CNc1nc(nc(N2CCOCC2)c1N)C#N
CC(C)(C)CNc1nc(nc(N2CCOCC2)c1N)C#N
CC(=O)CC=C(CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,w:4.3,c:27|
CN(C)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:29|
COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:28|
CC(=O)CC=CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,w:5.5,c:18|
CN(C)C(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|
COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19|
FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C#N)C1=O |r,t:18|
O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1
NC(=O)c1cn(-c2ccc(O)cc2)c2cc(ccc2c1=O)-c1ccncc1
NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccncc1
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)CC(C)C)C=O
CC(C)C[C@H](NC(=O)[C@@H](CCSc1ccc2ccccc2c1)CC(C)C)C=O
CC(C)C[C@H](NC(=O)[C@@H](CCS(=O)(=O)c1ccc2ccccc2c1)CC(C)C)C=O
CC(C)C[C@H](NC(=O)[C@@H](CCS(=O)c1ccc2ccccc2c1)CC(C)C)C=O
COC(=O)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
CC(=O)Nc1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
CN(C)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)cc3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3c(F)c(F)c(F)c(F)c3F)nc(nc12)C#N
COc1ncc(-c2cccc(CNc3nc(nc4n(CCCO)cnc34)C#N)c2)c(OC)n1
OCCCn1cnc2c(NCc3cccc(c3)-c3ccccc3Cl)nc(nc12)C#N
Cc1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Cc1cccc(C)c1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
CC(C)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
COC(=O)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
OCCCn1cnc2c(NCc3cccc(c3)-c3cccc(C=C)c3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3cccc(Cl)c3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(C=C)cc3)nc(nc12)C#N
COC(=O)c1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
COc1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)c(Cl)c3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N
CC(C)Oc1c(Br)cccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4ccccc4c3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3cn(c4ccccc34)S(=O)(=O)c3ccccc3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3cccs3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3cccnc3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccsc3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccco3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccccc3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccoc3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4[nH]ccc4c3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4cc[nH]c4c3)nc(nc12)C#N
OCCCn1cnc2c(NCc3cccc(c3)-c3ccccc3C(F)(F)F)nc(nc12)C#N
NC(=S)NN=C(c1cccc(Br)c1)c1ccccc1F |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1ccccc1Cl |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1ccccc1Br |w:4.3|
Cc1ccccc1C(=NNC(N)=S)c1cccc(Br)c1 |w:8.9|
NC(=S)NN=C(c1cccc(F)c1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Cl)c1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cccc(c1)C(F)(F)F |w:4.3|
Cc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1 |w:8.9|
NC(=S)NN=C(c1ccc(F)cc1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1ccc(Cl)cc1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1ccc(Br)cc1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1ccc(cc1)C(F)(F)F)c1cccc(Br)c1 |w:4.3|
Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(Br)c1 |w:8.9|
NC(=S)NN=C(c1cccc(Br)c1)c1cccc(F)c1F |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1c(F)cccc1F |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)cc(F)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cccc(Br)c1F |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1ccc(F)c(Br)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1F |w:4.3|
NC(=S)NN=C(c1ccccc1)c1ccccc1F |w:4.3|
NC(=S)NN=C(c1ccc(Br)cc1)c1ccccc1F |w:4.3|
NC(=S)NN=C(c1ccc(Br)cc1)c1ccccc1Br |w:4.3|
NC(=S)NN=C(c1ccc(F)cc1)c1ccc(Br)cc1 |w:4.3|
NC(=S)NN=C(c1ccc(Cl)cc1)c1ccc(Br)cc1 |w:4.3|
[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1ccc(Br)cc1)-c1ccc(Br)cc1
NC(=S)NN=C(c1ccc(Br)cc1)c1ccc(cc1)C(F)(F)F |w:4.3|
Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Br)cc1 |w:8.9|
Brc1cccc(c1)-[#6](=[#7]\[#7]-[#6](=S)-[#7]-c1ccccc1)\c1cccc(Br)c1
Brc1cccc(c1)-[#6](=[#7]\[#7]-[#6](=S)-[#7]-[#6]-c1ccccc1)\c1cccc(Br)c1
[#6]-[#6]-[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cccc(Br)c1)-c1cccc(Br)c1
NC(=S)NN=C(c1ccc(F)cc1)c1ccccc1F |w:4.3|
[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cccc(F)c1)-c1cccc(F)c1
[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N |r|
FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N
CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3
C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N
c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(C)C)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r|
CCCc1cc(nc(n1)C#N)-c1ccc(OC(F)(F)F)c(c1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccc(OC(C)C)c(c1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccccc1
CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccc(cc1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1
CCCc1cc(nc(n1)C#N)-c1cccc(Br)c1
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)=O
CCCc1cc(nc(n1)C#N)-c1cccc(c1)S(C)(=O)=O
CCCc1cc(nc(n1)C#N)-c1cccc(C)c1
CCCc1cc(nc(n1)C#N)-c1cccc(CC)c1
CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)C
CCCc1cc(nc(n1)C#N)-c1cccc(CC(C)C)c1
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C(C)(C)C
CCCc1cc(nc(n1)C#N)-c1cccc(OC(F)(F)F)c1
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CC1
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCC1
CCCc1cc(nc(n1)C#N)-c1cccc(c1)C1CCCC1
CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1cc(ccc1Cl)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccc(F)c(c1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccc(Cl)c(c1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccc(C)c(c1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccc(OC)c(c1)C(F)(F)F
CCCc1cc(nc(n1)C#N)-c1ccc(OCC)c(c1)C(F)(F)F
C=CCSS(=O)CC=C
CCCSS(=O)CCC
O=S(Cc1ccccc1)SCc1ccccc1
O=S(SC1CCCCC1)C1CCCCC1
CC(C)CCSS(=O)CCC(C)C
CCCCCCSS(=O)CCCCCC
CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r|
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r|
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r|
CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r|
CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r|
CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r|
CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r|
CC(C)(NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F)C(N)=O
NC(=S)NN=C(c1ccccc1)c1cccc(O)c1 |w:4.3|
NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1 |w:4.3|
CC(=O)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1 |w:11.12|
NC(=S)NN=C(c1cccc(Br)c1)c1cccc(OCc2ccccc2)c1 |w:4.3|
CC(C)(C)[Si](C)(C)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1 |w:15.16|
NC(=S)NN=C(c1cccc(Br)c1)c1ccc(O)c(Br)c1 |w:4.3|
CC(C)(C)[Si](C)(C)Oc1ccc(cc1Br)C(=NNC(N)=S)c1cccc(Br)c1 |w:16.17|
NC(=S)NN=C(c1cccc(Br)c1)c1cc(O)cc(Br)c1 |w:4.3|
CC(C)(C)[Si](C)(C)Oc1cc(Br)cc(c1)C(=NNC(N)=S)c1cccc(Br)c1 |w:16.17|
NC(=S)NN=C(c1cccc(Br)c1)c1cccc(Br)c1O |w:4.3|
COc1ccc(cc1O)C(=NNC(N)=S)c1cc(OC)c(OC)c(OC)c1 |w:10.11|
NC(=S)NN=C(c1cccs1)c1ccccc1 |w:4.3|
NC(=S)NN=C(c1sccc1Br)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1cc(Br)cs1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1ccc(Br)s1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1ccccc1)c1cccnc1 |w:4.3|
NC(=S)NN=C(c1cccnc1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1ccc(Br)nc1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1cccnc1Br |w:4.3|
NC(=S)NN=C(C1CCCCC1)c1cccc(Br)c1 |w:4.3|
NC(=S)NN=C(c1cccc(Br)c1)c1ccc2CCCCc2c1 |w:4.3|
[#7]-[#6](=S)-[#7]\[#7]=[#6](/c1ccccc1)-c1ccccc1
NC(=S)NN=C(Cc1ccccc1)c1ccccc1 |w:4.3|
[#7]-[#6](=S)-[#7]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
[#7]-[#6](=S)-[#7]\[#7]=[#6]-1\c2cc(Br)ccc2-c2ccc(Br)cc-12
CCC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1
CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
CNC(=O)C(=O)C(C)NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F
CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)N(C)C
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](C#N)C1(CC1)c1ccccc1 |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccncc1)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(cc1F)C#N)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)N1CCOCC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|
CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|
CC(C)(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|
CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|
Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)o1
Cc1noc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)n1
CC(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1
Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N
CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N
CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1
Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N
CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1
CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1
Cc1noc(C)c1CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1
Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N
COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r|
Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1
[O-][N+](=O)c1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
Clc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
Fc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1
O=c1nc(SCC2CCCC2)nc(SCc2ccccc2)[nH]1
Fc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
O=c1nc(SCc2ccccc2)nc(SCc2cccc(c2)C#N)[nH]1
Fc1cc(ccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1)C#N
O=c1nc(SCC2CCC2)nc(SCc2ccccc2)[nH]1
COc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
O=c1nc(SCc2ccccc2)nc(SCc2ccccc2C#N)[nH]1
O=c1nc(SCc2ccccc2)nc(SCc2ccc(cc2)C#N)[nH]1
[O-][N+](=O)c1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1
O=c1nc(SCC2CCCCC2)nc(SCc2ccccc2)[nH]1
COc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1
Fc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
CCCCSc1nc(SCc2ccccc2)[nH]c(=O)n1
O=c1nc(SCC2CC2)nc(SCc2ccccc2)[nH]1
CCCSc1nc(SCc2ccccc2)[nH]c(=O)n1
O=c1nc(SCC#N)nc(SCc2ccccc2)[nH]1
CCSc1nc(SCc2ccccc2)[nH]c(=O)n1
OC(=O)CSc1nc(SCc2ccccc2)[nH]c(=O)n1
Clc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
[O-][N+](=O)c1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
COc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
CC(=O)CC=CNC(=O)CN1c2ccccc2C(=N[C@H](CN2CCOCC2)C1=O)c1ccccc1 |r,w:5.5,c:18|
CC(=O)CC=CNC(=O)CN1c2ccccc2C(=N[C@H](CN2CCCCC2)C1=O)c1ccccc1 |r,w:5.5,c:18|
CC(C)CNC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC=CCC(C)=O)C1=O |r,w:26.27,t:7|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6]=[#7]-[#7]-[#6](-[#7])=O |r,w:39.41|
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CO[C@@H](O)[C@@H]1Cc1ccccc1
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C1CCCCC1)C(C)C)OCc1ccc2ccccc2c1)C(O)=O
COC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C=O |r|
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O
CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O
CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O
O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)Cc1ccccc1
CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NC(=S)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C)C=O
CCCC(CCC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NC(=O)NC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC(C)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C=O
CC[C@@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)C(C)C
CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O
O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1
COC(=O)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
O=C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)NCC=O
CC[C@@H](C)[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O
O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
O=C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNS(=O)(=O)c1cccc2ccccc12
Cc1ccc(cc1)S(=O)(=O)N1CC(CC1C(=O)N[C@@H](Cc1ccccc1)C=O)N=[N+]=[N-]
Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C=O)cc1
CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C(C)C
CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCCCC1CCSS1
CCNC(=O)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C(C)C
CCNC(=O)C(=O)C(Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCCCC1CCSS1
CC(F)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C)(C)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C#N
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)c1ccccc1 |w:30.31|
C[C@H](C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F
C[C@@H](C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](C)C#N
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C#N)(C1CCC1)C1CCC1
CS(=O)(=O)C=C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:4.3,c:28|
COc1ccc(cc1)S(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=NC(COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:12.13,c:27|
FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC=CS(=O)(=O)c2ccccc2)C1=O |w:37.39,t:18|
CCS(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:6.6,c:20|
CS(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:5.5,c:19|
COc1ccc(cc1)S(=O)(=O)C=C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:11.11,c:36|
FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CCc2ccccc2)C=CS(=O)(=O)c2ccccc2)C1=O |w:46.50,t:18|
CCS(=O)(=O)C=C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:5.4,c:29|
CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1
CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(ccc2o1)C(C)(C)C
CCCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(OC)o1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccc(OC)cc1
CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(ccc2o1)S(N)(=O)=O
CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1
CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(CC)o1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F
NC(=S)NN=C(c1cccs1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3|
NC(=S)NN=C(CCc1ccccc1)c1cccc(F)c1 |w:4.3|
NC(=S)NN=C(CCc1ccccc1)c1ccccc1 |w:4.3|
Cc1ccc(cc1)C(=NNC(N)=S)c1ccccc1 |w:8.9|
NC(=S)NN=C(CCc1ccccc1)c1cc(Cl)cc(Cl)c1 |w:4.3|
NC(=S)NN=C(CCc1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3|
Cc1ccc(cc1)C(=NNC(N)=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:8.9|
Cc1ccc(cc1)C(=NNC(N)=S)c1cc(Cl)cc(Cl)c1 |w:8.9|
NC(=S)NN=C(c1cccs1)c1cc(Cl)cc(Cl)c1 |w:4.3|
Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:8.9|
NC(=S)NN=C(CCc1ccccc1)c1cccc(Cl)c1 |w:4.3|
Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(F)c1 |w:8.9|
NC(=S)NN=C(C=Cc1ccccc1)c1cccc(c1)C(F)(F)F |w:6.5,4.3|
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[CH-][N+]#N |r|
[NH3+][C@H](Cc1cccs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
[NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N |r|
CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccc(I)cc1)C(=O)[CH-][N+]#N |r|
NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N |r|
Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
[NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N |r|
[NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N |r|
CC(=O)c1c(Nc2ccc(Cl)cc2)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O
CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O
CC(=O)c1c(Nc2ccc(C)cc2Cl)nc2c(cc(Cl)cc2c1O)[N+]([O-])=O
CC(=O)c1c(Nc2ccc(Cl)cc2Cl)nc2c(cc(Cl)cc2c1O)[N+]([O-])=O
CC(=O)c1c(Nc2ccc(Br)cc2)nc2c(Br)ccc(Br)c2c1O
CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1
CC(=O)c1c(Nc2ccc(Cl)cc2Cl)nc2c(Cl)ccc(Cl)c2c1O
CC(=O)c1c(O)c2c(C)ccc(Cl)c2nc1Nc1ccc(Br)cc1Br
FCC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@]1([#6])[#6@@H](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,TLB:43:42:6.8.14:21.23.34|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@](\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:32:31:15.13.24:6.33.5|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)-[#6@H](-[#6]2=O)C1([#6])[#6] |r,THB:28:27:15.13.24:6.29.5|
Oc1ccc(C(=O)c2ccccc2O)c(O)c1
c1ccc(cc1)C(=O)c2ccccc2
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
COc1ccc(cc1)-c1n(N)c(=O)cc2cc3OCOc3cc12
CCOC(=O)Nn1c(-c2ccc(OC)cc2)c2cc3OCOc3cc2cc1=O
COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(cc2)C(C)=O)c(=O)cc2cc3OCOc3cc12
COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(SC)cc2)c(=O)cc2cc3OCOc3cc12
COc1ccc(cc1)-c1n(N)c(=O)cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12
Cc1cc2cc3OCOc3cc2c(n1)-c1ccc(N)cc1
CC(=O)Oc1cc2cc3OCOc3cc2c(n1)-c1ccc(N)cc1
COc1ccc(cc1)-c1n(NC(=O)OC(C)(C)C)c(=O)cc2cc3OCOc3cc12
COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23|
COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|
COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(Br)cc1 |r,c:19|
COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19|
COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19|
COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19|
CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C(=O)OC)C1=O |r,t:10|
COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19|
COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31|
CN(C#N)N(C)C(=O)CNC(=O)OCc1ccccc1
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|
CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|
CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 |r|
CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)NCC#N |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)NCC#N |r|
CC(C)C[C@H](N(C)C(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)NCC#N |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N |r|
CC(C)C[C@H](N(C)C(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N |r|
Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1ccccc1 |r|
COc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:14.16|
NC(=S)NN=C1CCS(=O)(=O)c2ccc(cc12)C(F)(F)F |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2ccc(OC(F)(F)F)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2ccc(O)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2ccc(cc12)[N+]([O-])=O |w:4.3|
CC(=O)Nc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:16.18|
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
NC(=S)NN=C1CCSc2ccc(Br)cc12 |w:4.3|
NC(=S)NN=C1CCSc2cc(F)c(F)cc12 |w:4.3|
NC(=S)NN=C1CCSc2c(F)cc(F)cc12 |w:4.3|
NC(=S)NN=C1CCSc2c(Br)cc(F)cc12 |w:4.3|
NC(=S)NN=C1CCSc2c(F)cc(Br)cc12 |w:4.3|
Cc1ccc2SCCC(=NNC(N)=S)c2c1 |w:9.9|
CCc1ccc2SCCC(=NNC(N)=S)c2c1 |w:10.10|
CC(C)c1ccc2SCCC(=NNC(N)=S)c2c1 |w:11.11|
COc1ccc2SCCC(=NNC(N)=S)c2c1 |w:10.10|
CSc1ccc2SCCC(=NNC(N)=S)c2c1 |w:10.10|
NC(=S)NN=C1CCSc2c(OC(F)(F)F)cccc12 |w:4.3|
NC(=S)NN=C1CCSc2ccc(O)cc12 |w:4.3|
NC(=S)NN=C1CCSc2ccc(cc12)[N+]([O-])=O |w:4.3|
NC(=S)NN=C1CCSc2ccc(N)cc12 |w:4.3|
CC(=O)Nc1ccc2SCCC(=NNC(N)=S)c2c1 |w:12.12|
NC(=S)NN=C1CCSc2ccc3ccccc3c12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2ccc(Cl)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2ccc(Br)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2c(F)cc(F)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2c(Br)cc(F)cc12 |w:4.3|
NC(=S)NN=C1CCS(=O)(=O)c2c(F)cc(Br)cc12 |w:4.3|
Cc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:13.15|
CCc1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:14.16|
CC(C)c1ccc2c(c1)C(CCS2(=O)=O)=NNC(N)=S |w:15.17|
NC(=S)NN=C1CCSc2ccc(F)cc12 |w:4.3|
NC(=S)NN=C1CCSc2ccc(OC(F)(F)F)cc12 |w:4.3|
NC(=S)NN=C1CCSc2ccc(cc12)C(F)(F)F |w:4.3|
c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|
Cc1nc(sc1C)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CCc1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CC(C)(C)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
FC(F)(F)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
FC(F)(F)c1nc(sc1Cl)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ncc(s1)C#N |r|
CC(C)(C#N)c1cnc(s1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccncc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCCc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCOCc2s1 |r|
CC1(C)COCc2sc(nc12)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)C1CC1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ncccc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nccs1 |r|
Cc1sc(nc1C(F)(F)F)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cccnc2s1 |r|
[#6]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-1)-[#6](=O)-[#6@@H](-[#6]-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#8])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CCCCN)C(O)=O |r|
CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
CC(C)CS(=O)(=O)CC(NC(=O)c1cccs1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ncccc3c2C1 |r|
CS(=O)(=O)c1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CCOc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
FC(F)(F)Oc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CSc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
COc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
FC(F)(F)c1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3c(cccc3c2C1)C#N |r|
Brc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Cc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Clc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)c1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CS(=O)(=O)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CC(C)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
FC(F)(F)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
COc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Clc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Cn1c2CCN(Cc2c2c(F)c(F)ccc12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Fc1cccc2[nH]c3CCN(Cc3c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Fc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 |r|
CC(C)(C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r|
C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r|
C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r|
c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N
Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
CN1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 |r|
O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCCCC1 |r|
CN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
CC1(C)CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|
CC1CN(C(C)CN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|
C[C@H]1CN(C[C@@H](C)N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|
C[C@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2n(C)nc(C)c2c1 |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)nn(C)c2c1 |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)noc2c1 |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)nnc(C)c2c1 |r|
COc1ccc(nc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
COc1cc(ccc1C1CC1)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2OCOc2c1 |r|
CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
Cc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccccc1 |r|
O[C@H](CN(Cc1ccccc1)C(=O)[CH-][N+]#N)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1 |r|
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[CH-][N+]#N |r|
CCN(CC)c1ccc2cc(C(=O)NC3(CCCCC3)C(=O)N(C)N(C)C#N)c(=O)oc2c1
CCN(CC)c1ccc2cc(C(=O)NC3(CCCCC3)C(=O)NCC#N)c(=O)oc2c1
CN(C)c1cccc2c(cccc12)S(=O)(=O)NC1(CCCCC1)C(=O)NCC#N
CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)C(C)(C)C
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(OC)c1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)C(C)C
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccccc1OC
CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1cccs1
CCC[C@H](NC(=O)OCC(C)C)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccs1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccc(cc1)C(F)(F)F
CCC[C@H](NC(=O)[C@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccc(cc1)N(C)C
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)CCc1ccccc1)C(=O)c1nnc(o1)-c1ccco1
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)C(C)C
CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1
Cn1cc(cn1)-c1cccc(CC(NC(=O)c2ccccc2)C(=O)NCC#N)c1
Cn1nccc1-c1cccc(CC(NC(=O)c2ccccc2)C(=O)NCC#N)c1
O=C(NCC#N)C(Cc1cccc(c1)-c1ccncc1)NC(=O)c1ccccc1
O=C(NCC#N)C(Cc1cccc(c1)-c1cccnc1)NC(=O)c1ccccc1
O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1
Cn1cc(cn1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
O=C(NCC#N)C(Cc1cccc(c1)-c1cn[nH]c1)NC(=O)c1ccccc1
O=C(NCC#N)C(Cc1cccc(c1)-c1cc[nH]n1)NC(=O)c1ccccc1
O=C(NCC#N)C(Cc1cccc(c1)-c1ccccn1)NC(=O)c1ccccc1
O=C(NCC#N)C(Cc1cccc(c1)-c1ccnnc1)NC(=O)c1ccccc1
O=C(NCC#N)C(Cc1cccc(c1)-c1nnco1)NC(=O)c1ccccc1
Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C
Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CO)o1)C(=O)NCC#N)C(C)(C)C
Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C
Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CCN)o1)C(=O)NCC#N)C(C)(C)C
O=C(NCC#N)C(Cc1cccc(c1)-c1nncs1)NC(=O)c1ccccc1
Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnco1)C(=O)NCC#N)C(C)(C)C
COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Cc1nnc(s1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r|
Fc1ccc(cc1)C(=O)N[C@@H]1CCN(C1)C#N |r|
O=C(N[C@@H]1CCN(C1)C#N)Nc1ccccc1 |r|
COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C=O |r|
CC(C)(C)OC(=O)N1CC[C@H](C1)NS(=O)(=O)c1cccc(Br)c1 |r|
COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@@H](C)N(C1)C#N |r|
C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Brc1ccc(Br)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
C[C@@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cc(Br)ccc1Br |r|
O=S(=O)(N[C@@H]1CCN(C1)C#N)c1ccccc1 |r|
N#CN1CCC(CCc2ccccc2)C1
OC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
CCOC(=O)N1CCN(Cc2cc([N+]([O-])=O)c3cccnc3c2O)CC1
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+]([O-])=O)c2cccnc2c1O |r|
C[C@@H]1CCCCN1Cc1cc([N+]([O-])=O)c2cccnc2c1O |r|
[O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Oc1ccc([N+]([O-])=O)c2ccccc12
[O-][N+](=O)c1ccc(N2CCOCC2)c2ncccc12
CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
[O-][N+](=O)c1ccc(N2CCOCC2)c2ccccc12
Nc1ccc([N+]([O-])=O)c2ccccc12
Oc1c(CN(CC#N)Cc2ccccc2)cc([N+]([O-])=O)c2cccnc12
CCOC(=O)C1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
[O-][N+](=O)c1ccc(NCc2ccccc2)c2ncccc12
CN(Cc1ccccc1)c1ccc([N+]([O-])=O)c2cccnc12
OC(=O)c1cc([N+]([O-])=O)c2cccnc2c1O
CCN(CC)C(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2cccnc12
[O-][N+](=O)c1ccc(NCc2ccccn2)c2ncccc12
Oc1c(CN2CCN(Cc3cccnc3)CC2)cc([N+]([O-])=O)c2cccnc12
Oc1c(CN2CCN(Cc3ccncc3)CC2)cc([N+]([O-])=O)c2cccnc12
CN(CCc1ccccc1)c1ccc([N+]([O-])=O)c2cccnc12
Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12
Oc1c(CNCc2ccccc2)cc([N+]([O-])=O)c2cccnc12
CCNCc1cc([N+]([O-])=O)c2cccnc2c1O
Nc1c(Br)cc([N+]([O-])=O)c2ccccc12
CN(CC#N)Cc1cc([N+]([O-])=O)c2cccnc2c1O
COc1ccccc1C(=O)NN
COc1ccc(cc1)C(=O)NN
c1cc(ccc1C(=O)NN)O
NNC(=O)Cc1ccccc1
c1ccc(c(c1)C(=O)NN)Cl
Nn1c(nnc1-c1ccccc1)-c1ccccc1
Nn1c(nnc1-c1ccc(cc1)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O
Nn1c(nnc1-c1cccc(c1)[N+]([O-])=O)-c1cccc(c1)[N+]([O-])=O
Cc1ccccc1-c1nnc(-c2ccccc2C)n1N
Cc1cccc(c1)-c1nnc(-c2cccc(C)c2)n1N
Cc1ccc(cc1)-c1nnc(-c2ccc(C)cc2)n1N
Cc1cccc(-c2nnc(-c3cccc(C)c3O)n2N)c1O
Nn1c(nnc1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Nc1cccc(c1)-c1nnc(-c2cccc(N)c2)n1N
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)NCCCCOCc1ccccc1)NC(C)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1 |r|
CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|
CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|
O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1 |r|
NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
CN(N(CC(=O)N1CCOCC1)C#N)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N
CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N
CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r|
CC(C)C(NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCOCC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C1CC[N+](C)(C)CC1)C(C)(C)C)C(=O)C(=O)NCc1ccccc1
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C1CCN(C)CC1)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)C(=O)NC1CCCCC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)c1ccccc1)C(=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCc1ccccc1 |r|
CC(C)C(NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1 |r|
CNC(=O)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(C)C |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1cn[nH]c1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCCCC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCOCC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CC[N+](C)(C)CC1
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r,TLB:12:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r|
CNC(=O)c1ccc(CNC(=O)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N2Cc3ccccc3C2=O)C(C)(C)C)C(C)C)cc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r|
CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1 |r|
CC1(C)CCc2c(O)c(C(=O)CCc3ccc4OC5(C)CCCC(C)(C)C5Cc4c3)c(O)cc2O1
[#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8]
CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c1-[#8]
[H][C@]12CCCO[C@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F |r,t:10|
[H][C@@]12CCCO[C@@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F |r,t:10|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@]21N=C(N)N(C)C1=O)-c1cccnc1F |r,t:19|
[H][C@@]12OCCC[C@@]1(C)Oc1ccc(cc1[C@]21N=C(N)N(C)C1=O)-c1cccnc1F |r,t:19|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccnc1F |r,c:22|
[H][C@@]12OCCC[C@@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccnc1F |r,c:22|
[H][C@@]12CCCO[C@@]1([H])[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cccnc1F |r,c:13|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cccnc1F |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cncc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cncc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cc(F)cc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cc(F)cc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccc(c1)C#N |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cccc(c1)C#N |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cncnc1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cncnc1 |r,c:22|
COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O
CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N
CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
[O-][N+](=O)c1ccc(\C=C\C(=N/Nc2ccccc2)\c2ccccc2)cc1
[O-][N+](=O)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12|
CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:4|
[O-][N+](=O)c1ccc(cc1)C1CC(=NN1)c1ccccc1 |c:12|
[O-][N+](=O)c1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
N(\N=C(/C=C/c1ccccc1)\c1ccccc1)c1ccccc1
Clc1ccc(\C=C\C(=N/Nc2ccccc2)\c2ccccc2)cc1
Brc1ccc(\C=C\C(=N/Nc2ccccc2)\c2ccccc2)cc1
Cc1ccc(\C=C\C(=N/Nc2ccccc2)\c2ccccc2)cc1
COc1ccc(\C=C\C(=N/Nc2ccccc2)\c2ccccc2)cc1
C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1 |c:3|
Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|
Brc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|
Cc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|
COc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
C1C(N=NC1c1ccccc1)c1ccccc1 |c:2|
Clc1ccc(cc1)C1CC(=NN1)c1ccccc1 |c:10|
Brc1ccc(cc1)C1CC(=NN1)c1ccccc1 |c:10|
Cc1ccc(cc1)C1CC(=NN1)c1ccccc1 |c:10|
COc1ccc(cc1)C1CC(=NN1)c1ccccc1 |c:11|
c1c(nn(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
Clc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
Brc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
Cc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccccc1 |c:4|
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccccc1 |c:11|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O |r|
CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O |r|
CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
NC(=S)N\N=C(/c1ccccc1)c1cccc(c1)C(=O)c1ccccc1
NC(=S)N\N=C(/c1ccccc1)c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1
NC(=S)N\N=C(/c1ccccc1)c1cccc(c1)C(O)c1ccccc1
NC(=S)N\N=C(/c1ccc(F)cc1)c1cccc(c1)C(=O)c1ccc(F)cc1
NC(=S)N\N=C(/c1ccc(Br)cc1)c1cccc(c1)C(=O)c1ccc(Br)cc1
NC(=S)N\N=C(/c1ccc(Br)cc1)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(Br)cc1
COc1ccc(cc1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(OC)cc1
NC(=S)N\N=C(/c1ccc(O)cc1)c1cccc(c1)C(=O)c1ccc(O)cc1
CC(C)Oc1ccc(cc1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(OC(C)C)cc1
Cc1cccc(c1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1cccc(C)c1
NC(=S)N\N=C(/c1cccc(Br)c1)c1cc(O)cc(c1)C(=O)c1cccc(Br)c1
NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(c1)C(=O)c1cccc(O)c1
NC(=S)N\N=C(/c1cc(Br)cc(c1)C(=O)c1ccccc1F)c1ccccc1F
NC(=S)N\N=C(/c1cccc(Br)c1)c1cc(Br)cc(c1)C(=O)c1cccc(Br)c1
COc1ccccc1\C=C\C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1 |r|
COc1cc(\C=C\C(=O)N[C@H](COC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc(OC)c1OC |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N |r|
O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
O=C(NCC#N)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Brc1cccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NCC#N)c1 |r|
O=C(NCC#N)[C@H](Cc1cccc(c1)-c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
OC(=O)Cn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)cc1 |r|
N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
C[C@@H](C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C#N |r|
CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N |r|
O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC#N |r|
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1ccccc1 |r|
CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC#N |r|
COC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)cc1 |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#N |r|
O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1noc(n1)-c1cccs1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C#N |r|
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC#N |r|
O=C(NC1(CCCCC1)C(=O)NCC#N)OCc1ccccc1
OC(=O)CCn1cc(COCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C#N)nn1 |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#N |r|
O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1 |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C#N |r|
OC(=O)CCn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
CSCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C#N |r|
CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NCC#N |r|
OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC#N |r|
OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
CSCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
CC(C)(C)OC(=O)NCC(=O)NCC#N
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N |r|
O=C(CNC(=O)OCc1ccccc1)NCC#N
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC#N)C#N |r|
CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)NCC#N |r|
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N |r|
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(c(Oc4ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C=O)cc4)c3)[N+]([O-])=O)NC(=O)OCc2ccccc2)cc1 |r|
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C=O)cc1 |r|
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1
COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
[O-][N+](=O)c1cccc(Nc2nc(nc(n2)N2CCNCC2)C#N)c1
O[C@@H](CNc1nc(nc(n1)N1CCNCC1)C#N)c1ccccc1 |r|
[O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1
N#Cc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O |r|
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|
[O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
[O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cc(-[#8])cc(Br)c1)-c1cc(-[#8])cc(Br)c1
NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(Br)c1
NC(=S)N\N=C(\c1cccc(Br)c1)c1cc(O)cc(O)c1
COc1cc(OC)cc(c1)C(=N/NC(N)=S)\c1cc(Br)cc(Br)c1
COc1cc(OC)cc(c1)C(=N/NC(N)=S)\c1cccc(Br)c1
NC(=S)N\N=C(/c1cc(O)cc(O)c1)c1cc(Br)cc(Br)c1