Compound List
| Compound | Smiles | Mol |
|---|---|---|
|
C134
|
CC1=NN(c2ccccc2)C(=O)C1 |
|
|
C135
|
Cc1ccccc1CC(N)=O |
|
|
C137
|
COc1ccc(CCC2(C)NC(=O)NC2=O)cc1 |
|
|
C138
|
CCN(CC)c1cc(C)nc2ncnn12 |
|
|
C139
|
CN(C)C(=O)Cn1cnc(N)n1 |
|
|
C140
|
CC(=O)N1CCOc2ccccc2C1 |
|
|
C142
|
CN(C)C(=O)COc1ccc(N)c(F)c1 |
|
|
C143
|
Cc1cc(F)ccc1CS(N)(=O)=O |
|
|
C147
|
CCOC(=O)c1cn[nH]c1 |
|
|
C148
|
Cc1cccc(NCC2CCNC2)n1 |
|
|
C149
|
COC(=O)C1(c2ccc(F)cc2)CCCNC1 |
|
|
C150
|
Cn1cc(C2CCCC2CO)cn1 |
|
|
C151
|
CC(=O)N1C2CCC1c1cccnc1C2 |
|
|
C152
|
CC1(C(N)=O)CCCN1S(C)(=O)=O |
|
|
C153
|
COC(=O)C1(Cc2ccc(F)cc2)CCNC1 |
|
|
C154
|
COC(=O)C1(c2ccc(C)cc2)CCNC1 |
|
|
C155
|
OCC1CNCC1c1ccccc1F |
|
|
C158
|
CS(=O)(=O)c1ccc(Br)cc1 |
|
|
C160
|
OCCn1cc(Br)cn1 |
|
|
C161
|
O=C1CCC(=O)N1 |
|
|
C162
|
OCC1CC1 |
|
|
C163
|
NC1CCCC1 |
|
|
C164
|
CCC(=O)NO |
|
|
C166
|
N#Cc1c[nH]cn1 |
|
|
C170
|
Cc1cc2ccccc2nc1N |
|
|
C172
|
CCc1ccc(NC2=NCCCS2)cc1 |
|
|
C177
|
O=C(c1ccccc1F)N1CCNCC1 |
|
|
C178
|
CC1C(=O)NC(=O)N1c1ccc(Cl)cc1 |
|
|
C181
|
O=C1NC(=O)C2(CCc3ccccc32)N1 |
|
|
C185
|
CC(=O)c1ccc2c(c1)CCCN2 |
|
|
C186
|
O=C(NC1CC1)c1ccccc1O |
|
|
C188
|
Cn1c(N)nc2ccccc21 |
|
|
C190
|
CC1(C)OC(=O)c2cc(Br)c(O)cc2O1 |
|
|
C193
|
Cn1nc(C(F)(F)F)cc1O |
|
|
C195
|
Cc1cc(-c2ccccc2)n[nH]1 |
|
|
C196
|
Oc1cnc(-c2ccccc2)nc1 |
|
|
C197
|
CNC(=O)c1cccc2cc[nH]c12 |
|
|
C198
|
CS(=O)(=O)NC1CCOc2ccccc21 |
|
|
C200
|
NC(=O)c1ccnc(NC2CC=CC2)c1 |
|
|
C202
|
CC(N)c1cn(-c2ccccc2)nn1 |
|
|
C203
|
Cn1nc(C(N)=O)c2ccccc21 |
|
|
C204
|
CCC(=O)Nc1cccc(N)c1C |
|
|
C205
|
O=C(NCCN1CCCC1=O)Nc1ccccc1 |
|
|
C206
|
Cc1nn(C)c(C)c1CC(N)=O |
|
|
C207
|
CNc1ccc2ccccc2n1 |
|
|
C209
|
COc1ccccc1NC(N)=S |
|
|
C210
|
CC1(C)NCCC1c1ccc(F)cc1 |
|
|
C211
|
COc1cccc(S(=O)(=O)NC(=O)c2cc(-c3ccc(C#CCO)s3)c(OC)cc2OC)c1 |
|
|
C212
|
COC1CC(OC)C(c2cccs2)CC1C(=O)O |
|
|
C213
|
O=C(O)Cc1ccc(O)c(-c2ccccc2)c1 |
|
|
C214
|
COc1ccc(CC(=O)O)cc1-c1ccsc1 |
|
|
C215
|
COc1ccc(CC(=O)O)cc1-c1cccs1 |
|
|
C216
|
O=C(O)Cc1cc(CC(=O)O)cc(-c2ccc(C#CCO)s2)c1 |
|
|
C217
|
Cc1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)O |
|
|
C219
|
CC(=O)Oc1ccc2oc(=O)sc2c1 |
|
|
C221
|
COc1cc(C)c(C(=O)NS(=O)(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1 |
|
|
C222
|
O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1cc(-c2ccccc2)c(=O)n2c1sc1ccc(OC3CCCCC3)cc12 |
|
|
C223
|
O=C(O)Cc1cc(CC(=O)O)cc(-c2cccs2)c1 |
|
|
C226
|
O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NC1(C(=O)O)Cc2ccccc2C1 |
|
|
C227
|
COc1cc(C)c(C(=O)NS(C)(=O)=O)cc1-c1ccc(C#CCO)s1 |
|
|
C229
|
O=C(O)Cc1cc(CC(=O)O)cc(-c2ccccc2)c1 |
|
|
C233
|
CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)N1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C(C(=O)O)C1 |
|
|
C234
|
COc1ccc(CC(=O)O)cc1-c1ccccc1 |
|
|
C264
|
Cc1ccc(NC(=O)c2ccncc2)c2cccnc12 |
|
|
C267
|
O=C(Nc1ccc(Cl)c2ncccc12)c1ccncc1 |
|
|
C329
|
CCS(=O)(=O)NCC1CC(=O)N(c2ccc(Cl)cc2)C1 |
|
|
C331
|
CC(C)(CO)NC(=O)c1csc(-c2ccsc2)n1 |
|
|
C332
|
CC(O)CNC(=O)Nc1cccc2cccnc12 |
|
|
C333
|
CCS(=O)(=O)NCc1nc2cc(Cl)ccc2[nH]1 |
|
|
C334
|
c1nc(CCNC2=NCCCS2)no1 |
|
|
C336
|
c1ncn(CCNC2=NCCCS2)n1 |
|
|
C337
|
c1noc(CCNC2=NCCCS2)n1 |
|
|
C338
|
CC1CCSC(NCCc2ncon2)=N1 |
|
|
C340
|
CC1CN=C(NCCc2ncon2)SC1 |
|
|
C341
|
CC1CN=C(NCCc2ncno2)SC1 |
|
|
C342
|
CC(CNC1=NCCCS1)c1ncon1 |
|
|
C343
|
c1cc2cc(N3CCCCCC3)ccc2[nH]1 |
|
|
C345
|
c1cc2cc(C3=NCCS3)ccc2[nH]1 |
|
|
C346
|
c1cc2cc(N3CCCCC3)ccc2[nH]1 |
|
|
C348
|
O=C(CCCn1ccc2cc(Cl)ccc21)OC1CCSC1 |
|
|
C350
|
C=C1CCN(c2ncccn2)C1 |
|
|
C351
|
c1ncc(N2CCCC2)cn1 |
|
|
C352
|
c1cc(N2CCCC2)ncn1 |
|
|
C353
|
CC1CCSC(NC(C)c2ccncc2)=N1 |
|
|
C394
|
CC(C)n1cc(NC2=NCCCS2)cn1 |
|
|
C395
|
CC(Cn1cccn1)NC1=NCCCS1 |
|
|
C396
|
CN(CCNC(=O)Cc1ccns1)C(=O)c1cncc(O)c1 |
|
|
C398
|
c1cncc(-c2ncco2)c1 |
|
|
C399
|
c1ccc(-n2cccn2)nc1 |
|
|
C400
|
c1ccc(-c2nccs2)nc1 |
|
|
C401
|
c1ccc(-c2ncco2)nc1 |
|
|
C402
|
O=C(NCCc1cn[nH]c1)OC1CCOC1 |
|
|
C404
|
O=C(O)C1(CNCc2cc[nH]n2)CCOC1 |
|
|
C406
|
CC(NCCc1cn[nH]c1)C1CCCO1 |
|
|
C408
|
CC(NC(C)C1CCCO1)c1cn[nH]c1 |
|
|
C410
|
O=C(CCCC1CCOC1)c1cn[nH]c1 |
|
|
C411
|
CCC1OCCC1CNCc1cn[nH]c1 |
|
|
C412
|
c1cc(C2CCCO2)no1 |
|
|
C414
|
CCC1OCCC1CNCc1cc[nH]n1 |
|
|
C416
|
CCC1CC(NCCc2ccn[nH]2)CO1 |
|