product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1 | 560 |
c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O | 561 |
c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O | 562 |
C1CC(CCC1C(=O)N2CCNCC2)CN3C(N(c4ccccc4C3=O)C)=O | 563 |
C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl | 564 |
C1CC(CCN1C(=O)C2CCN(CC2)C(=O)C)N(CCC)C3Cc4c(CC3)ccc(OC)c4 | 564 |
c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O | 564 |
C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C | 565 |
CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O | 566 |
C1CN(CCN1C)C(=O)CCc2cccc(c2)O | 567 |
FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2 | 568 |
C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O | 569 |
C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5 | 570 |
n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C | 571 |
C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O | 572 |
c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2 | 573 |
c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O | 573 |
CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O | 574 |
CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C | 575 |
CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C | 575 |
CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O | 576 |
C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O | 577 |
c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl | 578 |
CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3 | 579 |
FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13 | 580 |
C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C | 581 |
C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O | 582 |
C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3 | 583 |
c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C | 584 |
CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O | 585 |
C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O | 586 |
CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O | 587 |
C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O | 588 |
C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O | 589 |
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC | 590 |
CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C | 591 |
CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C | 592 |
CC(C)(C)OC(N(Cc1ncccc1)C)=O | 593 |
C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3 | 594 |
C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3 | 595 |
CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O | 596 |
c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2 | 597 |
c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4 | 598 |
CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1 | 599 |
CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O | 600 |
CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O | 601 |
CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2 | 602 |
c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C | 603 |
c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C | 604 |
c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC | 604 |
c1ccccc1CCCCN(C)C | 604 |
CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2 | 605 |
CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O | 606 |
C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC | 607 |
CN(C)Cc1cc(N)ccc1Br | 608 |
C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C | 609 |
c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C | 609 |
C1CN(CC1c2nnc3n2cc(cc3)F)C | 610 |
C1C(C(CN(C(=O)OCC)C1)CC)=O | 611 |
c1cc(ccc1)CN(CCc2cccnc2Cl)CCO | 612 |
c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2 | 613 |
O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl | 614 |
C(O)CN(C)c1n(C)ncc1[N+](=O)[O-] | 615 |
CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl | 616 |
C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O | 617 |
c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F | 618 |
FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C | 619 |
CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N | 620 |
c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4 | 621 |
C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35 | 622 |
CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O | 622 |
CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F | 622 |
c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO | 622 |
C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O | 623 |
C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC | 624 |
C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C | 624 |
CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2 | 624 |
CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O | 624 |
CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O | 624 |
CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O | 624 |
c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C | 624 |
c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F | 624 |
c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl | 624 |
c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6 | 624 |
c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O | 625 |
C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC | 626 |
C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4 | 627 |
O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C | 627 |
CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O | 628 |
c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O | 629 |
C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O | 630 |
CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC | 630 |
C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C | 631 |
FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C | 631 |
c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O | 632 |
C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2 | 633 |
N1(c2ccc([N+]([O-])=O)cc2OCC1)C | 634 |
n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1 | 635 |
FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C | 636 |
CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C | 637 |
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