product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C | 487 |
C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2 | 488 |
FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2 | 489 |
CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1 | 490 |
c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O | 491 |
c1(cccc(OCC)c1Br)C(=O)C | 492 |
c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F | 493 |
O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO | 494 |
C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCCO)cc3Oc4ccccc4)sc2 | 495 |
C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3 | 495 |
CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl | 495 |
CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2 | 495 |
CC(C)=CCCCCCO | 495 |
C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3 | 495 |
c1cc(ccc1)-c2oc(c(n2)CCO)C | 495 |
c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO | 495 |
C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC | 496 |
c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C | 497 |
CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C | 498 |
c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O | 498 |
C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O | 499 |
CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4 | 499 |
COc1ccc(CCO)c([N+]([O-])=O)c1 | 499 |
Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO | 499 |
c1ccccc1OCCCCC(CO)C | 499 |
C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO | 500 |
c1(C(C(N)CO)C)[nH]cnc1 | 501 |
CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C | 502 |
C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N | 503 |
CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O | 503 |
CC(C)c1c(cc2OCOc2c1)CCO | 504 |
c1cc(ccc1Br)-c2nc(c(o2)C)CCO | 505 |
O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1 | 506 |
CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O | 507 |
CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O | 508 |
O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23 | 509 |
c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC | 509 |
O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1 | 510 |
c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C | 511 |
CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O | 512 |
CCCCCCCCCCCCc1sccc1 | 513 |
C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4 | 514 |
C1N(CC=C(COc2ccccc2I)C1)C | 515 |
O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2 | 516 |
c1cc(C=2CCC(CC=2)C=C)c(c(F)c1OCC)F | 516 |
C1C(c2cccc(c2F)F)=CCC(CCCCC)C1 | 517 |
C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3 | 518 |
c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2 | 519 |
c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2 | 520 |
c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O | 521 |
C(CCCCCC(OC)=O)CCCCCCCCC=CC(CC)C | 522 |
O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC | 522 |
CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F | 523 |
c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2 | 524 |
c1ccccc1COc2cc3C=CCc3cc2 | 524 |
CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F | 525 |
CC(C)(C)OC(=O)N1CCC(C1)C=C | 526 |
CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C | 527 |
c1ccccc1COCC(OCC=NO)CC=C | 528 |
CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O | 529 |
CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C | 529 |
FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O | 530 |
CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F | 531 |
CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C | 531 |
C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1 | 532 |
CC(C)(c1c2c(ccc1)CCO2)CC=O | 533 |
CC(C)(COc1ccc(cc1)OC)C=O | 534 |
COc1c(cc(F)c(c1)CC=O)C#N | 534 |
c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2 | 534 |
C1CC(CCN1OC)CC=O | 535 |
CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3 | 535 |
c1(C(C=O)C)ncccc1Cl | 535 |
c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1 | 535 |
c1cc(ccc1F)C(C)(C)CCC=O | 535 |
C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1 | 536 |
C1OC(CCC1)OCC(C)C=O | 537 |
C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12 | 538 |
CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2 | 539 |
c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O | 540 |
c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O | 541 |
c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O | 542 |
CC1(C)Cc2c(OC)cccc2C1N3CCCCC3 | 543 |
C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F | 544 |
CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C | 545 |
c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N | 546 |
CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl | 547 |
C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2 | 548 |
c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C | 549 |
CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4 | 550 |
CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4 | 551 |
C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC | 552 |
c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F | 553 |
c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl | 554 |
C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl | 555 |
FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2 | 556 |
C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C | 557 |
C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O | 558 |
CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O | 559 |
c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F | 559 |
C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O | 560 |
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