ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
6493 | CCCn1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 | [C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][N][=C][Ring2][Ring1][Branch1][Ring1][N] | n14c5cn2c3c(=O)[nH]c(=O)n(C)c3nc12.c15ccccc1.CCC4 |
6494 | Clc1cc2c(c(Cn3cnc4ccccc43)c1)OCOC2 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][S][O][C][O][C][Ring2][Ring1][C] | Clc1cc6c2c(c1)COCO2.n15cnc2ccccc21.C56 |
6495 | CCCn1c(CNS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 | [C][C][C][N][C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.S4(=O)(=O)c1ccc(C)cc1.CCC5.C36.N34 |
6498 | O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1 | [O][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2cnn6c2ncn14.c16ccccc1.c15ccccc1.C45 |
6499 | C=CCn1cnc2c(cnn2-c2ccccc2)c1=O | [C][=C][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n13cnc2c(cnn24)c1=O.c14ccccc1.C=CC3 |
6500 | CC(C)Nc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring2][Ring1][Ring1] | c14nc5nc7n1.c16ccccc1.n17ccnc1.CC3C.N56C.N34 |
6502 | c1ccc(-c2nc(N3CCCC3)nc(-n3ccnc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][O][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16nc4nc5n1.c1ccc6cc1.N14CCCC1.n15ccnc1 |
6503 | CC(C)Nc1nc(-c2ccccc2)nc(-n2ccnc2)n1 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring1][P] | c14nc5nc6n1.c16ccccc1.n15ccnc1.CC3C.N34 |
6504 | O=C(CC1Sc2ccccc2NC1=O)NCc1ccccc1 | [O][=C][Branch1][P][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15Sc2ccccc2NC1=O.c16ccccc1.O=C3C5.N34.C46 |
6505 | c1ccc(-c2nc(NC3CC3)nc(-n3ccnc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c17nc4nc6n1.c1ccc7cc1.n16ccnc1.C15CC1.N45 |
6506 | CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | S6(=O)(=O)c1ccc3c4c1.C2(=O)C5.N56C.CN2.O3C.O4C |
6508 | O=C(CC1Nc2ccccc2NC1=O)Nc1ccc(O)cc1 | [O][=C][Branch1][P][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C15Nc2ccccc2NC1=O.c14ccc(O)cc1.O=C3C5.N34 |
6510 | Cc1nccn1CCCN1C(=O)OC(C)(C)C1(C)O | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][Branch1][C][C][O] | N13C(=O)OC(C)(C)C1(C)O.Cc1nccn12.C2CC3 |
6511 | CCOC(=O)c1nnn(-c2nc(OC)nc(N3CCCC3)n2)c1C | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][C][=Ring2][Ring1][C][C] | c19nc6nc7n1.c18nnn9c1C.N17CCCC1.C48=O.CC5.O45.O6C |
6513 | COCc1cc(C)nc2sc(-c3nc(N)nc(N(C)C)n3)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch2][Ring1][Ring1][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][=C][Branch1][C][N][C][Ring2][Ring1][Branch1][=Ring1][S] | c16cc(C)nc2sc7c(N)c12.c17nc5nc(N)n1.N5(C)C.CO4.C46 |
6515 | O=C1CC(=O)CC(c2cccc(C(F)(F)F)c2)C1 | [O][=C][C][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][P] | O=C1CC(=O)CC4C1.c14cccc3c1.C3(F)(F)F |
6517 | Cc1cc(C)c(C#N)c(Sc2nnnn2-c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc(C)c(C#N)c4n1.c15nnnn13.c13ccccc1.S45 |
6518 | CSc1nc(N)n(-c2cnc3ccccc3n2)n1 | [C][S][C][N][=C][Branch1][C][N][N][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][=Ring1][S] | c14cnc2ccccc2n1.c15nc(N)n4n1.CS5 |
6519 | CC(=O)Nc1ccc(OC(F)(F)F)cc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Cl] | c14ccc3cc1Cl.O3C(F)(F)F.CC2=O.N24 |
6520 | CCOC(=O)c1csc(-c2snnc2C)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][S][N][=N][C][=Ring1][Branch1][C][=N][Ring1][O] | c15csc6n1.c16snnc1C.C35=O.CC4.O34 |
6521 | CS(=O)(=O)c1nnnn1-c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | CS(=O)(=O)c1nnnn12.c12ccccc1Cl |
6524 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | N14C(=O)c2ccccc2S1(=O)=O.N13CCCCCC1.O=C3C4 |
6526 | CSc1ccc(CNC(=O)c2c(C)noc2C)s1 | [C][S][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][S][Ring1][S] | c15c(C)noc1C.c17ccc6s1.C35=O.CS7.C46.N34 |
6527 | COc1ccc(OC)c(NC(=O)c2ccc(SC)s2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][S][Ring1][#Branch1][=C][Ring2][Ring1][C] | c14ccc5c6c1.c17ccc8s1.C37=O.CO4.O5C.N36.S8C |
6528 | O=C1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][N][Ring2][Ring1][Ring2] | c15ccc(S4(=O)=O)cc1.O=C1CC5CN1.N14CCCCC1 |
6529 | Cc1cccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][=Branch1] | n16cnc2sc(C)c(C)c2c1=O.Cc1cccc5c1.C4(=O)C6.N45 |
6530 | O=S(=O)(Cc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S(=O)(C3)c1ccc(Cl)cc1.c13nc4no1.c14ccsc1 |
6531 | Cn1cnnc1SCc1nc(-c2ccsc2)no1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2] | Cn1cnnc15.c14nc6no1.c16ccsc1.S35.C34 |
6532 | CCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1 | [C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc(S4(=O)=O)cc1.c16ccncc1.CCC5.C3C6.N34 |
6533 | CC(C)NS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][Ring1][N] | S4(=O)(=O)c1ccc5cc1.C15CNC(=O)C1.CC3C.N34 |
6534 | O=C1CC(c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][N][Ring2][Ring1][#Branch1] | c17ccc(S5(=O)=O)cc1.O=C1CC7CN1.c16ccccc1.C4C6.N45 |
6535 | O=C1CC(c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][N][Ring2][Ring1][Branch1] | c16ccc(S4(=O)=O)cc1.O=C1CC6CN1.C15CCCCC1.N45 |
6537 | Cc1sc2ncn(CC(=O)Nc3ccccc3Cl)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c15ccccc1Cl.C6C4=O.N45 |
6538 | O=C(Oc1ccc2c(c1)OCC2=O)c1cccs1 | [O][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][=O][C][=C][C][=C][S][Ring1][Branch1] | c14ccc2c(c1)OCC2=O.c15cccs1.O=C35.O34 |
6539 | CCOC(=O)c1sc2ncnc(OC)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Ring1][O][C] | c16sc2ncnc5c2c1C.C36=O.CC4.O34.O5C |
6541 | Cc1cc(C)n2nc(SCC(=O)c3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n2nc6nc2n1.c15ccccc1.C4C5=O.S46 |
6542 | CCOC(=O)CSc1nc2nc(C)cc(C)n2n1 | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O] | c16nc2nc(C)cc(C)n2n1.C3(=O)C5.CC4.O34.S56 |
6543 | Cc1cc(C)c(C#N)c(SCC(=O)NCc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c(C#N)c7n1.c16ccc(Cl)cc1.C5C3=O.S57.N34.C46 |
6544 | CCn1cnc2sc(C(=O)Nc3ccc(C)cc3)c(C)c2c1=O | [C][C][N][C][=N][C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][C][C][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O] | n17cnc2sc6c(C)c2c1=O.c15ccc(C)cc1.C46=O.CC7.N45 |
6546 | COCc1cc(C)nc2sc3c(=O)n(Cc4ccco4)nnc3c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][=N][C][=Ring1][=N][C][Ring2][Ring1][Branch1][=Ring1][S] | c18cc(C)nc2sc3c(=O)n6nnc3c12.c17ccco1.CO5.C58.C67 |
6547 | CCOC(=O)c1sc2nc(C)nc(NCc3cccs3)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C][=Ring1][P][C] | c18sc2nc(C)nc7c2c1C.c19cccs1.C48=O.CC5.O45.N67.C69 |
6548 | CCOC(=O)c1sc2nc(C)nc(NCc3ccco3)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][C][=Ring1][P][C] | c18sc2nc(C)nc7c2c1C.c19ccco1.C48=O.CC5.O45.N67.C69 |
6550 | Cc1sc2ncn(CC(=O)NC(C)c3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c17ccccc1.C6C4=O.C57C.N45 |
6551 | Cc1sc2ncn(CC(=O)NCc3cccs3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2ncn6c(=O)c2c1C.c17cccs1.C6C4=O.N45.C57 |
6552 | Cc1sc2ncn(CC(=O)NCC3CCCO3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2ncn6c(=O)c2c1C.C17CCCO1.C6C4=O.N45.C57 |
6553 | Fc1ccc(CNc2ncnc3ccccc23)cc1 | [F][C][=C][C][=C][Branch1][P][C][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ncnc2ccccc12.Fc1ccc6cc1.C46.N45 |
6554 | COC(OC)(C(C#N)c1ccccc1)C(F)(F)F | [C][O][C][Branch1][Ring1][O][C][Branch1][=C][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | C23(C4C#N)C(F)(F)F.c14ccccc1.CO2.O3C |
6555 | COCc1cc(C(=O)Nc2ccc(Cl)cc2)cc2c1OCOC2 | [C][O][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][O][C][Ring1][=Branch1] | c17cc6cc2c1OCOC2.c15ccc(Cl)cc1.C36=O.CO4.C47.N35 |
6556 | O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCC1CCCO1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][N][C][C][C][C][C][O][Ring1][Branch1] | n16cnc2sc3c(c2c1=O)CCCC3.C17CCCO1.O=C4C6.N45.C57 |
6557 | CC1(C)C(=O)C2(C(=O)Nc3ccccc3C(F)(F)F)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][C] | CC1(C)C(=O)C26CCC1C2.c15ccccc17.C7(F)(F)F.C46=O.N45 |
6560 | CCn1c(=O)n(CC(=O)OC)c(=O)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n14c(=O)n5c(=O)c2ccccc21.C5C3=O.CC4.O3C |
6561 | CCOC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][C][=Ring1][S][C] | c17sc2nc(C)nc6c2c1C.N16CCCCC1.C47=O.CC5.O45 |
6562 | Cc1ccc(C)n1N(C)c1cccc(C(F)(F)F)n1 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2] | Cc1ccc(C)n1N(C)c1cccc2n1.C2(F)(F)F |
6565 | COc1ccc(-c2nnn(CC(=O)Nc3c(C)cccc3C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c16c(C)cccc1C.c15ccc8cc1.c18nnn7n1.C7C4=O.CO5.N46 |
6566 | CCOC(=O)c1sc2ncnc(N(CC)CC)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][Ring1][O][C][=Ring1][=C][C] | c18sc2ncnc7c2c1C.C38=O.N567.CC4.O34.C5C.C6C |
6567 | NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring1][S] | c14cnc2ccccc2n1.C15CCN4CC1.NC5=O |
6568 | O=C(Cc1ccccc1)Nc1nonc1NC(=O)c1ccccc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.c14nonc15.c16ccccc1.O=C2C7.C36=O.N24.N35 |
6569 | CC(=O)Nc1ccc(OC(F)(F)F)cc1Br | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Br] | c14ccc3cc1Br.O3C(F)(F)F.CC2=O.N24 |
6570 | COC(=O)CNC(=O)Cn1cnc2ccccc2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n16cnc2ccccc2c1=O.C3(=O)C5.C4(=O)C6.CO3.N45 |
6571 | NC(=O)c1cc(Br)cc(Br)c1 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2] | c12cc(Br)cc(Br)c1.NC2=O |
6572 | N#Cc1cc(Br)cc(Br)c1 | [N][#C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2] | N#Cc1cc(Br)cc(Br)c1 |
6573 | CCOC(=O)c1c(C)nn(-c2ccc(C(F)(F)F)cc2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Ring1][S][C] | c15c(C)nn7c1C.c17ccc6cc1.C6(F)(F)F.C35=O.CC4.O34 |
6574 | COc1cc(CCc2nnc(-c3cccs3)o2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.c17nnc9o1.c19cccs1.C8C7.CO4.O5C.O6C |
6575 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)C(C)(C)C)cc2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=Ring2][Ring1][Ring1][C] | c17c(C)nn8c1C.c18ccc6cc1.C4(=O)C(C)(C)C.C37=O.CC5.O35.N46 |
6576 | Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn6c(C)c15.c16ccccc1.c14ccccc1.C35=O.N34 |
6577 | Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)OCO2 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.Cc1nn6c(C)c15.c16ccccc1.C35=O.N34 |
6578 | Cc1nc2ccccc2n1CC(O)COc1ccc(F)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nc2ccccc2n15.c14ccc(F)cc1.C5C(O)C3.O34 |
6579 | CCOC(=O)C1=C(C)NC(=O)CC1c1c(F)cccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)CC14.c14c(F)cccc1Cl.CC3.O23 |
6580 | Cc1nn(-c2ccccc2)c(C)c1-c1nnc(C(F)(F)F)o1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2] | Cc1nn4c(C)c15.c14ccccc1.c15nnc3o1.C3(F)(F)F |
6581 | Cc1cc2ncn(CC(O)COc3ccc(F)cc3)c2cc1C | [C][C][=C][C][N][=C][N][Branch2][Ring1][Ring1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][C] | Cc1cc2ncn6c2cc1C.c15ccc(F)cc1.C6C(O)C4.O45 |
6582 | CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][S] | c15ccc(F)cc1F.N13CCC4CC1.CC3=O.C45=O |
6583 | COC(=O)C1=C(C)NC(=O)CC1c1cc(Br)ccc1F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F] | C2(=O)C1=C(C)NC(=O)CC13.c13cc(Br)ccc1F.CO2 |
6584 | COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | C2(=O)C1=C(C)N(C)C(C)=C(C3=O)C14.c14ccccn1.CO2.O3C |
6585 | O=C(c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | C15CCN3CC1.c16ccccc1.c14cccs1.O=C56.C34=O |
6586 | O=C(c1ccccc1)C1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | C15CCN3CC1.c16ccccc1.c14ccco1.O=C56.C34=O |
6587 | O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C14CCN3CC1.c16ccc(Cl)cc1.c15ccccc1.O=C45.C36=O |
6588 | O=C(c1ccccc1)C1CCN(C(=O)c2c(F)cccc2F)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][S] | c16c(F)cccc1F.C14CCN3CC1.c15ccccc1.O=C45.C36=O |
6589 | N#Cc1ccc(S(=O)(=O)Nc2cccc3nc[nH]c23)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][N][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | N#Cc1ccc(S4(=O)=O)cc1.c15cccc2nc[nH]c12.N45 |
6590 | Cc1nnsc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCC5CC1.Cc1nnsc14.c16ccccc1.C34=O.C56=O |
6591 | Cc1nnc(SCCC(=O)Nc2ccccc2)s1 | [C][C][=N][N][=C][Branch1][P][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | Cc1nnc6s1.c15ccccc1.C4CC3=O.S46.N35 |
6592 | COc1ccc(NC(=O)CCSc2nnc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17nnc(C)s1.C3(=O)CC5.CO4.N36.S57 |
6593 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1cccs1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)C1=C(C)N=C(C)C4C15.c15cccs1.C34=O.CO2.O3C |
6595 | CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c19nc2ccccc2o1.c17cccc8c1.C5(=O)C6.CC4=O.N47.N58.S69 |
6596 | O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c(F)c1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c16nc2ccccc2[nH]1.c15ccc(F)c(F)c1.O=C3C4.S46.N35 |
6597 | COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccs1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | c14c(C)nc(C)c5c16.c16cccs1.C24=O.C35=O.CO2.O3C |
6598 | CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c19nc2ccccc2[nH]1.c17cccc8c1.C5(=O)C6.CC4=O.N47.N58.S69 |
6599 | CCOC(=O)c1ccc(Oc2nc(C)cc(OC)n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=N][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][=Branch2][C][=C][Ring1][S] | c15nc6cc(C)n1.c18ccc7cc1.C38=O.CC4.O34.O57.O6C |
6600 | O=C1CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1CC3CN1S(=O)(=O)c1ccccc1.c13ccccc1 |
6601 | CCOC(=O)c1cc(C)n(N(C)c2cc(C(F)(F)F)ccn2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][=Ring2][Ring1][C][C] | c15cc(C)n(N(C)c2cc6ccn2)c1C.C6(F)(F)F.C35=O.CC4.O34 |
6603 | Cc1ccc(S(=O)(=O)NC(=O)N2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc(S5(=O)=O)cc1.N14CCCCC1.C34=O.N35 |
6604 | Cc1ccc(S(=O)(=O)NC(=O)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc(S5(=O)=O)cc1.N14CCOCC1.C34=O.N35 |
6606 | O=C(NCC(c1ccc[nH]1)C(F)(F)F)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C4C6C(F)(F)F.c15ccccc1.c16ccc[nH]1.O=C23.N24.N35 |
6607 | Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][O][C][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.N14CCOCC1 |
6609 | Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][Branch1][C][C][O][Ring2][Ring1][Ring2] | Cc1cc6c(C)o1.c15ccc4cc1.O4C(F)(F)F.C36=O.N35 |
6610 | Cc1ccc(-c2nn(CC(N)=O)c(=O)c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c15nn4c(=O)c2ccccc12.Cc1ccc5cc1.C4C(N)=O |
6611 | CNC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O | [C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | n14nc5c2ccccc2c1=O.c15ccc(C)cc1.C3(=O)C4.CN3 |
6612 | Cc1ccc(-c2nn(CC(=O)N(C)C)c(=O)c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c16nn5c(=O)c2ccccc12.Cc1ccc6cc1.C5C4=O.N4(C)C |
6613 | COC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O | [C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | n14nc5c2ccccc2c1=O.c15ccc(C)cc1.C3(=O)C4.CO3 |
6614 | O=S(=O)(c1ccc(Cl)cc1)n1cc2c(n1)CCOC2 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][O][C][Ring1][#Branch1] | O=S(=O)(c1ccc(Cl)cc1)n1cc2c(n1)CCOC2 |
6615 | O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(Br)c1 | [O][=C][Branch1][=C][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13c[nH]c(=O)[nH]c1=O.c14cccc(Br)c1.O=C24.N23 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.