product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F | 638 |
CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O | 639 |
CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O | 640 |
CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO | 641 |
CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O | 642 |
CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O | 643 |
c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O | 644 |
CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl | 645 |
c1cc(ccc1CN2CC(OCC2)C(C)C)Br | 646 |
c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl | 647 |
c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2 | 647 |
FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1 | 648 |
FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O | 649 |
CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O | 650 |
FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3 | 650 |
FC(F)(F)c1cc(CN2CCN(CC2)C)cc([N+](=O)[O-])c1 | 651 |
c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl | 652 |
CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O | 653 |
FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3 | 653 |
C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C | 654 |
CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl | 654 |
FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1 | 655 |
FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C | 656 |
C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2 | 657 |
CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F | 658 |
CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2 | 659 |
CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC | 660 |
C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3 | 661 |
CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F | 662 |
C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5 | 663 |
CCN(N)C(Nc1sc(C)nn1)=O | 664 |
O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C | 665 |
C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C | 666 |
O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O | 667 |
C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12 | 668 |
O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F | 669 |
FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2 | 670 |
c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl | 671 |
c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5 | 672 |
c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3 | 673 |
c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl | 674 |
CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O | 675 |
c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2 | 676 |
C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F | 677 |
C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4 | 678 |
C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F | 679 |
FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1 | 680 |
CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C | 681 |
c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2 | 682 |
c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3 | 683 |
C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O | 684 |
C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5 | 685 |
C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O | 686 |
FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F | 687 |
CC(C)N1c2cccc(c2NC1=O)F | 688 |
CCN1C(Nc2ccccc12)=O | 689 |
c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O | 690 |
C1(=O)N(CC)NCN1c2sc(C)nn2 | 691 |
C1(=O)N(CC)NCN1c2sc(C)nn2 | 692 |
CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O | 693 |
FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O | 694 |
C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O | 695 |
c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O | 695 |
C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3 | 696 |
c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F | 697 |
c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC | 698 |
c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl | 699 |
c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C | 700 |
c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O | 701 |
S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23 | 702 |
c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3 | 703 |
C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O | 704 |
c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2 | 705 |
c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O | 706 |
FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O | 707 |
C1CC(CCC1NC(C2CC2)=O)Oc3ccc(cc3)C(OCC)=O | 708 |
c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C | 709 |
c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4 | 709 |
ClC1(Cl)C(C(NCC)=O)(C)C1 | 710 |
FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1 | 711 |
CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O | 712 |
CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2 | 713 |
FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C | 713 |
N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O | 713 |
c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2 | 713 |
c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O | 713 |
CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O | 714 |
c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3 | 715 |
c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC | 716 |
C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O | 717 |
FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C | 717 |
C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O | 718 |
C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)NC | 719 |
CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O | 720 |
C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O | 721 |
c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl | 722 |
CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2 | 723 |
FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C | 724 |
c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC | 725 |
c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1 | 726 |
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