smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
C=CCNC(=O)c1cncc(C(=O)NCC=C)c1 | 400 |
Cc1nc(C(=O)NCC(C)(C)N2CCOCC2)nn1C | 401 |
CSC(SC)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 | 402 |
COc1cccn2c(C(=O)Nc3c(C)cccc3C)c(C)nc12 | 403 |
CCN(CCCl)C(=O)c1ocnc1C | 404 |
CC(C)Oc1cc(F)ccc1C#CCN | 405 |
Cc1ccc(C(O)CNC(=O)c2nc[nH]c2C)o1 | 406 |
CN1CCN(c2ccc(NC(=O)CC(=O)N3CCCCC3)cc2)CC1 | 407 |
Nc1nc2ccc(CNCC(F)F)cc2s1 | 408 |
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cn(CCN2CCCCC2)nn1 | 409 |
CCc1ccc(C(=O)NCc2nnc3n2CCCCC3)s1 | 410 |
Cc1ncsc1C(=O)N(C)Cc1ccncc1 | 411 |
CCCNC(=O)N(Cc1cccnc1)c1cccc(Cl)c1 | 412 |
CCOC(=O)c1cc(OC)c(OC(F)(F)F)cn1 | 413 |
CC(C)(C)Nc1ccnc(Nc2ccc(C#N)cc2)n1 | 414 |
CCCCC1CCC(C(=O)NCC2(C(N)=O)CCOCC2)CC1 | 415 |
CCCOc1cccc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 | 416 |
CSc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(NC(C)=O)c1-c1nc(-c2ccccc2)no1 | 417 |
CC(C)CC(O)c1cccc(C2CC2)c1 | 418 |
CCCCC(OC(=O)CCCC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(-c2ccccc2)cc1 | 419 |
Cc1cc(C(C)NCc2cscn2)c(C)s1 | 420 |
O=C(NC1CCCN(C(=O)Cc2cccs2)C1)c1cc(F)ccc1F | 421 |
CSCC(=O)c1cccnc1 | 422 |
Cc1ccccc1CSc1nc2cc(C(=O)NC(C)C)ccc2c(=O)n1CCc1ccccc1 | 423 |
Cc1ccc(C(C)C)cc1CC(=O)NCCN1CCOCC1 | 424 |
Cc1ccc(CC(=O)NC2CCC(N)CC2)cn1 | 425 |
COc1ccc(C2(C(=O)NCc3cnoc3C)CCCC2)cc1 | 426 |
Cc1ncc(NC(=O)CSCc2ccccc2)n1-c1nc(-c2ccccc2)cs1 | 427 |
Cc1noc(CNC(=O)N2CCCN(C(C)C)CC2)n1 | 428 |
C#CCNC(=O)C1CCCC1N | 429 |
CC(=O)Nc1ccc(NC(=O)C2CC(O)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1 | 430 |
CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1F | 431 |
Cc1nc(=O)c2cc(Cl)ccc2[nH]1 | 432 |
Cc1ccc(C(C)(C)C(=O)N2CCCC(c3nnc[nH]3)C2)cc1 | 433 |
CSCC(C)CNCc1ccc(C#N)cc1F | 434 |
Fc1cc(-c2cnco2)ccc1OCc1ccccc1 | 435 |
Cc1ccc(N2CCC(C(=O)N3CCOC(C(=O)O)C3)C2=O)cc1C | 436 |
O=C(Cc1ccc(F)cc1)NC1CCCN(C(=O)COc2ccccc2Cl)C1 | 437 |
Cc1nc(C)n(C2CN(C(=O)c3cc4c(F)cccc4[nH]3)C2)n1 | 438 |
Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)no1 | 439 |
CCOc1ccc(I)c(C#N)c1CO | 440 |
Cc1cccc(OCCCC(=O)NC2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1C | 441 |
CC(C)(C)OC(=O)N1CCCCC1C(C)(C)CN | 442 |
O=C(NC1(C(=O)NC2CCC(C(=O)O)CC2)CCN(Cc2ccccc2)C1)OCC1c2ccccc2-c2ccccc21 | 443 |
CC(C)(C)OC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)C2CC3CC(C2)CC1C3 | 444 |
COC(=O)Cc1cc(C#N)c(OC)cc1S | 445 |
COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 | 446 |
CCOc1ccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)cc1 | 447 |
CC(C)c1nc2cc(NC(=O)N3CCc4c(Cl)cccc4C3)ccc2[nH]1 | 448 |
Cc1ccc(N)c(CCCBr)c1 | 449 |
CC(CN1CCOCC1)N(C)S(=O)(=O)N1CCCCC1C | 450 |
COC(=O)[C@@H](NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)C(C)C | 451 |
CCOC(=O)c1c(C(F)F)cc(CBr)nc1F | 452 |
CC(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(O)cc2)CC1 | 453 |
CC(CO)N(Cc1ccc(OCC2CC2)cc1)CC1CCC1 | 454 |
Ic1cc2c(cc1I)OCCO2 | 455 |
NCc1ccnn1C1CCSC1 | 456 |
COc1ccc(Br)c(CC(=O)NC2(CC(=O)O)CCC2)c1 | 457 |
Cc1ccc(-c2noc(N3CCN4C(=O)C(=O)NCC4C3)n2)cc1 | 458 |
COc1ccccc1C(CNC(=O)CCCc1cccnc1)N1CCCCC1 | 459 |
Cc1n[nH]c(C)c1C1CCCCCN1C(=O)Nc1ccnc(CN(C)C)c1 | 460 |
CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 | 461 |
Cc1nccc(-c2noc(NC(C)(C)C)n2)n1 | 462 |
CN(C)S(=O)(=O)N1CCCN(Cc2ccccc2)CCOCC1 | 463 |
CCNC(=O)Cn1oc(N)cc1=O | 464 |
CC#CCCC(NCCC)c1ccc(F)c(Br)c1 | 465 |
CC(C)c1cccc(C(C)C)c1Nc1cnc(C(=O)N2CCN(C)CC2)cn1 | 466 |
C=CC(=O)CN(C)C | 467 |
CN(c1c(N)cncc1Cl)C(C)(C)C | 468 |
COc1ccc(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)cc1 | 469 |
CNC1(CC(=O)OC)CCCOCC1 | 470 |
CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)C1c1ccc(C(C)C)cc1 | 471 |
CC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC(C)O1 | 472 |
COc1ncccc1-c1c(CCC(C)=O)c(C)nc2ccccc12 | 473 |
N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(OCc4ccccc4)cc3)C2c2ccccn2)cc1 | 474 |
CC(C)(C)OC(=O)NCC1CC2CNCC(C1)C2O | 475 |
Brc1ccc(SCCNc2ccccc2)cc1 | 476 |
CCC(CO)NCc1cc(F)c(F)c(F)c1 | 477 |
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(N)c1 | 478 |
Fc1cccnc1-n1cc(NC2CCC(F)(F)CC2)cn1 | 479 |
C=C1CCCN(C(=O)CC)C1 | 480 |
Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)n1 | 481 |
COC(=O)c1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1 | 482 |
CN(c1cc(Cl)nnc1Cl)C(C)(C)C(=O)O | 483 |
COc1ccccc1CNC(=O)CN1CCCC(C)C1 | 484 |
Cc1ccc(NCc2cscc2C)c(N)c1 | 485 |
Cc1cnccc1N1CCCC(CBr)C1 | 486 |
Cn1nnnc1SC(C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 | 487 |
O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCOCC1 | 488 |
CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3C2c2ccc(F)cc2)cc1 | 489 |
Cc1ccc(-n2ncc(C(=O)N3CC(C(C)(C)O)C3)c2C)cc1 | 490 |
O=[N+]([O-])c1ccc(NCc2ccoc2)cc1 | 491 |
CCCn1cc(CNC(=O)c2cc(C)nc3ccccc23)c(C)n1 | 492 |
CC(C)CC1c2[nH]c3ccccc3c2CCN1C(=O)c1csnn1 | 493 |
O=C(NC(C(=O)O)C1CCCOC1)c1[nH]c2ccc(Cl)cc2c1Cl | 494 |
O=C(NCCCc1ccccc1F)C1CCN(C(=O)c2ccncc2)CC1 | 495 |
CCNc1nc(Cc2ccncc2)ncc1Br | 496 |
COC(=O)CC(CN)c1nc(C)c(C)o1 | 497 |
CCC(CC)C1CC(NC(=O)Nc2ccc(C3CC3)nn2)CCO1 | 498 |
CCOC(=O)CC(C(C)C)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 | 499 |
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