Compound Name

SMILES String

NCc1cc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)nc(c1)C(F)(F)F |r|

NC\C=C(/F)CS(=O)(=O)c1cccc(Cn2cc(nn2)-c2cc(OCCCc3cn(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cc(OCCCc3cn(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)c2)c1 |r|

CN(C)S(=O)(=O)c1ccc(cc1)C(OCc1ccc(cc1)-n1cc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1)c1cn(C\C(F)=C\CN)nn1 |r,w:13.13|

NCc1ccnc(Cl)c1

NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1

NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@H](O)[C@@H](F)C2)c1

NCc1cc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)nc(c1)C(F)(F)F

CCOC(=O)c1sc(N\N=C2\C(N)=NN(C2=O)c2ccccc2)c(C(=O)OCC)c1C |c:12|

CN(C)C(=S)SSC(=S)N(C)C

CCN1\C(C=Cc2ccccc12)=C1/C(=O)N(N=C1Nc1ccccc1)c1ccccc1 |c:4,18|

Cc1cc(C)c2c(n1)[nH]n(-c1ccccc1)c2=O

[O-][n+]1ccccc1S

NCCC#N

CCN(CC)C(=S)SSC(=S)N(CC)CC

CC1C(C)=NN(C1=O)c1ccccc1 |c:3|

CC1=NN(C(=O)\C1=C\NNc1nnc(C)c(O)n1)c1ccccc1 |t:1|

Cc1cc(c(C)o1)-c1ccc2c(n1)[nH]n(-c1ccccc1)c2=O

O=c1n([nH]c2nc(ccc12)-c1cccs1)-c1ccccc1

COc1ccccc1-c1cc(=O)c2c([nH]n(-c3ccccc3)c2=O)[nH]1

CC(C)(C)C1=NN(C(=O)C1)c1ccccc1 |t:4|

O=c1n(-c2ccccc2)c(=S)[nH]c2ncccc12

CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(CC(F)=CCN)c2ccc(cc12)C(O)=O

Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)S(C)(=O)=O

CCc1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)-c1cnn(C)c1

CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1

CS(=O)(=O)c1cc(cc(c1)-c1ccccc1)-c1cnc(CN)s1

CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1

CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)-c1ccccc1

Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1csc(CN)n1)S(C)(=O)=O

CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1

CS(=O)(=O)c1cc(Sc2cnc(CN)s2)cc(c1)-c1ccccc1

CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1cnn(C)c1