smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CC(C)CC(=O)N(C)C1(CN)CCOCC1 | 6,400 |
Cn1cc(CC2CN(C(=O)CNC(=O)c3ccccc3)C2)cn1 | 6,401 |
CC(C)NCC(=O)Nc1ccc(F)c(F)c1 | 6,402 |
O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CSCN1S(=O)(=O)c1cccs1 | 6,403 |
Cc1ccsc1CNC(=O)C1CCCC(C(=O)O)C1 | 6,404 |
CC(c1cccc(Cl)c1)N(C)C(=O)C1CCNC1 | 6,405 |
O=CCc1cc(Cl)cnc1F | 6,406 |
CC(C(=O)c1ccc(Cl)cc1)N1CCC(C)(C)C1 | 6,407 |
Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2C)cc1C | 6,408 |
N#Cc1ccc(CN2CCN(C(=O)C3CCCC3)CC2)cc1 | 6,409 |
CNCc1cccn1CCCOC | 6,410 |
CN(Cc1cccc(Cl)c1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C | 6,411 |
COc1cccc(NC(=O)c2ccc(NCC(C)C)cn2)c1 | 6,412 |
COC(=O)C(N)CCSCc1cccc(C)n1 | 6,413 |
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)C2c2cccc(O)c2)cc1Cl | 6,414 |
CC1CCCC(CNC(=O)N2C[C@@H](F)[C@@H](F)C2)C1 | 6,415 |
CCN(CC)C(C)CNC(=O)C(C)N | 6,416 |
CNCc1cc(Cl)cc(OC)c1OC1CCCC1 | 6,417 |
CC(C#N)CNC(=O)OCc1ccccc1 | 6,418 |
CCc1ccc(CC(=O)N2[C@H](CO)C[C@@H]3CCCC[C@@H]32)nc1 | 6,419 |
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1sccc1C | 6,420 |
CCC(CC#N)NC(=O)c1cc(OC)cs1 | 6,421 |
COc1cccc(NC(=O)N2CCCc3cc(OC)ccc3C2)c1 | 6,422 |
Cc1cccc(NC(=O)COC(=O)C2CC(=O)N(c3c(C)cccc3C)C2)c1 | 6,423 |
CCOc1ccc(C(N)c2n[nH]c(-c3cccc(C)c3)n2)cc1OC | 6,424 |
CCCCS(=O)(=O)N1CCC(NC(=O)COc2ccccc2OC)CC1 | 6,425 |
COc1c(O)cc(C(=O)O)cc1OC(F)F | 6,426 |
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(C5CCCCC5)cc4)c4ccccc34)C(=O)N=C2S1 | 6,427 |
Cc1ccc(S(=O)(=O)NC2CCCC3OCCC23)cc1N(C)C | 6,428 |
c1cc(CNC2CCSCC2)on1 | 6,429 |
Clc1cc(NN2CCOCC2)ccn1 | 6,430 |
CCOCC1CCCCN1C(=O)c1nnn2cc(C)[nH]c(=O)c12 | 6,431 |
Cc1ccc(C(=O)NC(C)(C)c2ncccn2)c(F)c1Cl | 6,432 |
CC(C(=O)c1ccccc1)n1nnc2ccccc21 | 6,433 |
CC1(C)OC(=O)C2CCCCC21 | 6,434 |
CC(C)OC(=O)C1(NC(=O)OC(C)(C)C)CC(F)(F)C1 | 6,435 |
CCOc1ccc(C2(N)CCC(F)(F)CC2)cc1 | 6,436 |
Cc1cc(CN2CCOCC2c2ccn[nH]2)no1 | 6,437 |
O=C(NCCN1CC[C@H](O)C1)c1nc(C(F)(F)F)n2ccncc12 | 6,438 |
CCc1nn2c(=O)cc(CSc3nnc(NC(=O)C(CC)CC)s3)nc2s1 | 6,439 |
CCC(C)OC(=O)C(C)n1c(=O)oc2cc(C(=O)OC)ccc21 | 6,440 |
Cc1ccc(NC(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1 | 6,441 |
CCc1nc(N)c(C)c(-c2ccc(Cl)cc2F)n1 | 6,442 |
CCCCCCCN1C(=O)C(C)(C)Oc2cc(C(=O)O)ccc21 | 6,443 |
Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 | 6,444 |
COc1ccccc1C(CNC(=O)c1c(C)noc1C(C)C)N1CCCCC1 | 6,445 |
CC(C)CCNC(=O)c1c(C(=O)O)cnn1C | 6,446 |
Cc1ccc(Br)c(C(=O)NCc2nn(C)cc2C)c1 | 6,447 |
Cc1nn(-c2ccc(F)cc2)c2nc(-c3cccs3)cc(C(F)F)c12 | 6,448 |
Cc1cccc2nc(CNC(=O)CCc3ccccc3)cn12 | 6,449 |
O=C(N1CCNCC1)N1CCN(c2ccccn2)CC1 | 6,450 |
O=C(NC(c1ccccn1)C1CCCN(CC2CC=CCC2)C1)c1cccc(F)c1 | 6,451 |
COc1ccc(CC(=O)N2CC(N)Cc3ccccc32)c(Cl)c1 | 6,452 |
CC(C)CSCc1noc(-c2ccc(O)cc2)n1 | 6,453 |
CC1(C)CC(=O)c2cc3c(N)c(C#N)sc3nc2C1 | 6,454 |
CC(C)CNCC(O)CN1C(=O)CC(C)(C)C1=O | 6,455 |
CCn1cc(C(=O)NC(C)(COC)C(=O)O)cn1 | 6,456 |
CC1C(C)N(C(=O)CNC(=O)Cc2cccc(F)c2)C(C)C(=O)N1C | 6,457 |
Cc1c(C(=O)N2CCOCC(C3CCC3)C2)sc2nc3n(c(=O)c12)CCC3 | 6,458 |
COc1c[nH]c(C(=O)NCc2cccc(N(C)C)n2)cc1=O | 6,459 |
Cc1nc(C(C)NC(C)C2CCCOC2)c(C)s1 | 6,460 |
NC1CC(=O)N(c2c(F)cccc2F)C1 | 6,461 |
c1cc(CNC2CC3(CCC3)C2)cc(N2CCSCC2)n1 | 6,462 |
Cn1nc(C(=O)N2Cc3ccccc3CC2C(=O)O)ccc1=O | 6,463 |
CCSc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 | 6,464 |
CCC(NCCNC(C)=O)c1cccc(Cl)c1 | 6,465 |
O=C(O)COc1cccc(C(=O)NCCC(=O)N2CCCCCC2)c1 | 6,466 |
CC1CCCCN(C(=O)C2CNC2)C1 | 6,467 |
CC(=O)N1CCCc2cc(S(=O)(=O)NCC3(CO)CCCC3)ccc21 | 6,468 |
Cc1ccc(-n2[nH]c(C(=O)N3CC4(CCC4)C3C3CC3)cc2=O)cc1 | 6,469 |
CC(C)c1ccc(C2(O)CCS(=O)(=O)C2)cc1 | 6,470 |
O=C(c1cccc2nncn12)N1CC=CC12CCCC2 | 6,471 |
COc1ccc(C(C)C)cc1S(=O)(=O)N1CCCC(c2nc(C)n3ccsc23)C1 | 6,472 |
Nc1ccc(C(=O)c2ccc(I)cc2)cc1F | 6,473 |
Cc1nc(C(=O)N(CC(=O)O)C(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 | 6,474 |
CCCn1ncc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3CC)c1C | 6,475 |
O=C(CCc1ccn[nH]1)NCc1cccnc1 | 6,476 |
O=C(Nc1ccc(NCCc2ccccc2F)cn1)NC1CC1 | 6,477 |
CCc1c(C)sc2nc(C34CC5CC(CC(C5)C3)C4)nc(SCC(=O)N(C(C)C)C(C)C)c12 | 6,478 |
Cc1nc2ccc(NC(=O)COc3ccccc3F)cc2c(=O)n1-c1ccc(Cl)cc1 | 6,479 |
COc1cc2c(c(OC)c1OC)CN(c1ccccc1F)C2CN | 6,480 |
CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3C)c(=O)n2-c2ccccc2C)CC1 | 6,481 |
COc1nc2ccccc2nc1N1CCCC(C(=O)Nc2ccccc2)C1 | 6,482 |
COCC(N)C(=O)NC(C)c1c(C)noc1C | 6,483 |
CCCCCCC(=O)N(C)C | 6,484 |
CC1CCC(N(C)CC(N)C2CC2)CC1 | 6,485 |
CC1(C)C2CCCN(C(=O)Cc3ccc(O)c(O)c3)C1C2 | 6,486 |
Cc1ccc(C)n1CC(=O)Nc1n[nH]c(-c2cccs2)n1 | 6,487 |
Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 | 6,488 |
Cc1cc(CN(C)Cc2c(C)n[nH]c2C)c2ccc(F)cc2n1 | 6,489 |
CC1(C)CCC(Nc2nc(Cl)cs2)C1 | 6,490 |
CCc1ccc(N2CN=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3C2)cc1 | 6,491 |
c1cnc(NCc2ccnc(N3CCOCC3)c2)cn1 | 6,492 |
CCc1nn(C)c(CN(CCBr)C2CC2)c1Br | 6,493 |
Cc1cc(C(C)C2CCNCC2)ccn1 | 6,494 |
CCN(Cc1ccoc1)C(=O)C1CCCN(C(=O)NC2CCCC2)C1 | 6,495 |
NCC(OCCCC(F)(F)F)c1ccccn1 | 6,496 |
COCC(=O)N1CCCN(C(=O)c2ccc3c4c([nH]c3c2)CCCC4)CC1 | 6,497 |
Cc1cc(F)ccc1C(=O)NCc1ccc(OCCCC(=O)O)cc1 | 6,498 |
C[C@H](NC(=O)C(F)(F)Cl)C(N)=O | 6,499 |
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