ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
41463 | Cc1noc(C)c1NC(=O)Nc1cccc(-n2cccc2)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O] | Cc1noc(C)c15.c16cccc7c1.n17cccc1.C34=O.N35.N46 |
41464 | Cc1noc(C)c1NC(=O)Nc1ccccc1N1CCOCC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | Cc1noc(C)c14.c15ccccc16.N16CCOCC1.C23=O.N24.N35 |
41465 | O=C(NCc1ccco1)c1cc(F)cc2c1OCOC2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1] | c15cc(F)cc2c1OCOC2.c16ccco1.O=C35.N34.C46 |
41466 | CS(=O)(=O)c1nsc(S(C)(=O)=O)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=Branch2][C][#N] | CS(=O)(=O)c1nsc(S(C)(=O)=O)c1C#N |
41467 | NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | NS(=O)(=O)c1ccc2cc1Cl.C2(F)(F)F |
41468 | CSc1nc(N)nc(-c2cccc(C(F)(F)F)n2)n1 | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring1][P] | c14nc5nc(N)n1.c15cccc3n1.C3(F)(F)F.CS4 |
41469 | CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cn2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=N][C][=Ring1][#C][C] | c15sc7nc1C.c17ccc6cn1.C6(F)(F)F.C35=O.CC4.O34 |
41470 | CC(C)S(=O)(=O)c1cnc(C(F)(F)F)nc1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N] | CC(C)S(=O)(=O)c1cnc2nc1N.C2(F)(F)F |
41471 | O=C1CSc2nnc(-c3ccc(Cl)cc3)n21 | [O][=C][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][Ring1][#C] | O=C1CSc2nnc4n21.c14ccc(Cl)cc1 |
41472 | Cc1ccc(C=c2sc3nnc(-c4ccco4)n3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(C=c2sc3nnc5n3c2=O)cc1.c15ccco1 |
41473 | Cc1ccc(C=c2sc3nnc(-c4ccco4)n3c2=O)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][Ring1][=N][=O][O][Ring2][Ring1][Ring2] | Cc1ccc(C=c2sc3nnc5n3c2=O)o1.c15ccco1 |
41474 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccccn1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14ccccn1.CC3.O23 |
41475 | N#Cc1c(-c2cccnc2)cc2c(c1N)c(=O)oc1ccccc12 | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][Branch1][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | N#Cc1c3cc2c(c1N)c(=O)oc1ccccc12.c13cccnc1 |
41476 | CC(=O)Nc1scc2c1c(=O)oc1ccccc12 | [C][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | c14scc2c1c(=O)oc1ccccc12.CC3=O.N34 |
41477 | COc1cccc(-c2cc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][Ring2] | c15cc6c(C#N)c(=O)[nH]1.c14cccc5c1.c16cccs1.CO4 |
41480 | Nc1nc(NC2CCCCC2)nc(C(F)(F)F)n1 | [N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][P] | Nc1nc3nc5n1.C14CCCCC1.C5(F)(F)F.N34 |
41481 | Cc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Br | [C][C][=N][N][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][Br] | Cc1nn(C)c4c1Br.c15ccc(Cl)cc1.C35=O.N34 |
41482 | CC1CN(C(=O)c2cc3ccccc3s2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][C] | c15cc2ccccc2s1.CC1CN4CC(C)O1.C45=O |
41483 | Cn1nc(-c2ccc(S(N)(=O)=O)s2)cc1C(F)(F)F | [C][N][N][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][Ring1][=Branch2][C][=C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F] | c14ccc(S(N)(=O)=O)s1.Cn1nc4cc13.C3(F)(F)F |
41484 | Cn1nc(C(F)(F)F)cc1-c1ccc(S(N)(=O)=O)s1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][Ring1][=Branch2] | c13ccc(S(N)(=O)=O)s1.Cn1nc2cc13.C2(F)(F)F |
41485 | CNC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 | [C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=Ring1][P][Ring1][=C] | c14cnn2c5cc6nc12.C5(F)(F)F.C6(F)(F)F.C34=O.CN3 |
41486 | COC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=Ring1][P][Ring1][=C] | c14cnn2c5cc6nc12.C5(F)(F)F.C6(F)(F)F.C34=O.CO3 |
41487 | CCCC(NC(=O)c1ccccc1)NC(=O)c1ccccc1 | [C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c17ccccc1.CCCC45.C26=O.C37=O.N24.N35 |
41488 | CSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C#N | [C][S][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=C][=C][Ring1][P][C][#N] | c15nn2c3cc4nc2c1C#N.C3(F)(F)F.C4(F)(F)F.CS5 |
41489 | COC(=O)c1nn(-c2ccccc2)c2oc(=O)cc(C)c12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][P][=Ring1][Branch2] | c14nn5c2oc(=O)cc(C)c12.c15ccccc1.C34=O.CO3 |
41491 | Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)on1 | [C][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][N][=Ring1][P] | c16cc(Cl)cc(Cl)c1.Cc1cc5on1.C34=O.N35.N46 |
41493 | COC(=O)c1ccc(Br)c(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O] | c14ccc(Br)c5c1.C24=O.C35=O.CO2.O3C |
41496 | CCC(CO)N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C | [C][C][C][Branch1][Ring1][C][O][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | N13CCCn2c1nc1c2c(=O)n(C)c(=O)n1C.CCC3CO |
41497 | CS(=O)(=O)Nc1ccc2oc3ncccc3c(=O)c2c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][O][=C][Ring1][#C] | c15ccc2oc3ncccc3c(=O)c2c1.CS4(=O)=O.N45 |
41499 | COC(=O)c1cn(C(=O)c2cccs2)nc1C(C)(C)C | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][N][C][Branch1][C][C][Branch1][C][C][C] | c15cn(C4=O)nc16.c14cccs1.C6(C)(C)C.C35=O.CO3 |
41500 | CC(=O)NC1C(=O)Nc2ccccc2SC1c1ccccc1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14C(=O)Nc2ccccc2SC15.c15ccccc1.CC3=O.N34 |
41502 | Cc1cc(NC(NC(=O)N(C)C)(C(F)(F)F)C(F)(F)F)no1 | [C][C][=C][C][Branch2][Ring1][P][N][C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring2][Ring1][Branch1] | C45(C(F)(F)F)C(F)(F)F.Cc1cc6no1.C23=O.N3(C)C.N46.N25 |
41503 | Nc1ncnc(Nc2ccc(Cl)cc2Cl)n1 | [N][C][=N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][#C] | c14ccc(Cl)cc1Cl.Nc1ncnc3n1.N34 |
41504 | Clc1cccc(Cl)c1Cn1nnc(-c2ccncc2)n1 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O] | Clc1cccc(Cl)c14.n13nnc5n1.c15ccncc1.C34 |
41507 | CNc1nnc(SCc2ccc(Cl)cc2)s1 | [C][N][C][=N][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=C] | c15ccc(Cl)cc1.c14nnc6s1.CN4.S36.C35 |
41508 | COc1ccc(Br)c(C(=O)Nc2ncccn2)c1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S] | c14ccc(Br)c6c1.c15ncccn1.C36=O.CO4.N35 |
41511 | CCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][C][=C][Branch1][C][F][C][Ring1][Branch2][=C][Ring1][N][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cnc2c(F)ccc(F)c2c15.c16cccnc1.C37=O.CC4.O34.O56 |
41512 | Cc1ccc(C(=O)COc2cc(C)nc3nncn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=N][C][=N][N][=C][N][Ring1][#Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | c15cc(C)nc2nncn12.Cc1ccc6cc1.C6(=O)C4.O45 |
41513 | Cc1nn(C)c(=O)c2noc(C=Cc3ccsc3)c12 | [C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][O][C][Branch1][#Branch2][C][=C][C][C][=C][S][C][=Ring1][Branch1][=C][Ring2][Ring1][C][Ring1][N] | Cc1nn(C)c(=O)c2noc(C=4)c12.C=4c1ccsc1 |
41514 | Cc1c(C#N)c(N)n(Cc2cccc(Cl)c2)c1C | [C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][S][C] | Cc1c(C#N)c(N)n3c1C.c14cccc(Cl)c1.C34 |
41515 | Nc1ncnc(SCC(=O)Nc2ccc(Cl)cc2)n1 | [N][C][=N][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Nc1ncnc6n1.c15ccc(Cl)cc1.C4C3=O.S46.N35 |
41517 | CCOC(=O)c1cc(-c2ccnn2C(=O)c2ccc(C)cc2)on1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][N][=Ring2][Ring1][Ring1] | c17ccnn1C6=O.c16ccc(C)cc1.c15cc7on1.C35=O.CC4.O34 |
41518 | Cc1nn(-c2ccc(F)c(Cl)c2)c(=O)c2c(C)noc12 | [C][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][Ring2][Ring1][Ring1][=Ring1][=Branch1] | Cc1nn3c(=O)c2c(C)noc12.c13ccc(F)c(Cl)c1 |
41519 | COc1ccc(OC)c(C(=O)c2ccc(N)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][Ring1][P] | c13ccc4c5c1.c16ccc(N)cc1.C56=O.CO3.O4C |
41520 | NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | NS(=O)(=O)c1cc2cc3c1.C2(F)(F)F.C3(F)(F)F |
41521 | NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] | NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl |
41522 | CSc1ccc(Cl)cc1NC(=O)c1ccco1 | [C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(Cl)cc13.c14ccco1.C24=O.CS5.N23 |
41523 | O=S(=O)(CS(=O)(=O)N1CCOCC1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | O=S3(=O)CS2(=O)=O.N12CCOCC1.N13CCOCC1 |
41524 | O=C(Cc1c(F)cccc1Cl)Nc1nccs1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=N][C][=C][S][Ring1][Branch1] | c14c(F)cccc1Cl.c13nccs1.O=C2C4.N23 |
41527 | NS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc4cc1.c15c(F)cccc1Cl.C3(=O)C5.N34 |
41528 | NC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c15c(F)cccc1Cl.c14ccccc13.C2(=O)C5.NC4=O.N23 |
41529 | Cc1ccc(N2CC(C(=O)N3CCc4ccccc43)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | N15CCc2ccccc21.Cc1ccc7cc1.N17CC6CC1=O.C56=O |
41530 | Cc1ccc(N2CC(C(=O)N3CCc4ccccc4C3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] | N15CCc2ccccc2C1.Cc1ccc7cc1.N17CC6CC1=O.C56=O |
41531 | CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | c15ccc(S4(=O)=O)cc1.C3(C)(C)CC(C)(C)C.CC2=O.N25.N34 |
41532 | Cc1ccnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][Ring2][Ring1][#Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccnc5n1.C4(=O)C6.N45 |
41534 | NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c16ccccc1Cl.c14ccccc1.NC(=O)C3.S35 |
41535 | Cc1ccc(C(N)=O)cc1S(=O)(=O)Nc1cccc(C)c1C | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C] | Cc1ccc4cc1S2(=O)=O.c13cccc(C)c1C.C4(N)=O.N23 |
41536 | O=C(Nc1ccc(F)c(Cl)c1)Nc1nnc(C(F)(F)F)s1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15ccc(F)c(Cl)c1.c14nnc6s1.C6(F)(F)F.O=C23.N25.N34 |
41537 | Cc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc8cc1.c17ccc9cc1.C1%10CCCO1.C48=O.C59=O.N47.N56.C6%10 |
41538 | COc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19ccccc1F.C7C3=O.C48=O.CO6.N47.O35.C59 |
41539 | CCC(C)NS(=O)(=O)c1ccc(SC)cc1 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | S3(=O)(=O)c1ccc4cc1.CCC2C.N23.S4C |
41540 | CN(C(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 | [C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18ccc6cc1.c15ccccc1.c17ccco1.CN35.C38=O.C47=O.N46 |
41541 | CC(=O)N(Cc1nnc2c3ccccc3c(C)nn12)c1ccccc1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc2c3ccccc3c(C)nn12.c16ccccc1.CC4=O.N456.C57 |
41542 | NC(=O)CC1Nc2cccc3cccc(c23)N=C1O | [N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][=C][Ring1][=C][O] | C14Nc2cccc3cccc(c23)N=C1O.NC(=O)C4 |
41543 | CC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C34(C(F)(F)F)C(F)(F)F.c15nccs1.CC2=O.N23.N45 |
41544 | Cc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][#N][C][=C][Ring2][Ring1][Ring2] | c15oc7nc1C#N.Cc1ccc6cc1.c17ccco1.C46.N45 |
41545 | CC1CC(C)CN(c2oc(-c3ccco3)nc2C#N)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][#N][C][Ring2][Ring1][Ring1] | CC1CC(C)CN4C1.c14oc5nc1C#N.c15ccco1 |
41546 | COc1ccccc1-c1nc(C#N)c(N2CC(C)OC(C)C2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][O][Ring1][#C] | c15nc(C#N)c4o1.N14CC(C)OC(C)C1.c13ccccc15.CO3 |
41547 | COc1ccc(-c2nc(C#N)c(N3CC(C)OC(C)C3)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc7cc15.c17nc(C#N)c6o1.N16CC(C)OC(C)C1.CO4.O5C |
41548 | CC(=O)NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C34(C(F)(F)F)C(F)(F)F.N14CCCC1=O.CC2=O.N23 |
41549 | N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCCC1 | [N][#C][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=Ring1][N][N][C][C][C][C][Ring1][Branch1] | N#Cc1nc4oc13.c14cccc(Cl)c1.N13CCCC1 |
41550 | Cc1ccc2cc(S(=O)(=O)NCc3ccco3)ccc2c1 | [C][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2cc(S5(=O)=O)ccc2c1.c16ccco1.N45.C46 |
41551 | CCc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c17ccc(S5(=O)=O)cc1.c16ccc4cc1.N356.C3(C)=O.CC7.O4C |
41554 | COC(=O)Cc1c(C)c2c(OCC(N)=O)cc(C)cc2oc1=O | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Branch1][C][C][C][=C][Ring1][N][O][C][Ring1][P][=O] | c16c(C)c2c5cc(C)cc2oc1=O.C3(=O)C6.C4C(N)=O.CO3.O45 |
41555 | Cc1cc2oc(=O)c3c(c2cc1OCC(N)=O)CCCC3 | [C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][C][=Ring1][#Branch1][C][=C][Ring1][O][O][C][C][Branch1][C][N][=O][C][C][C][C][Ring1][=C] | Cc1cc2oc(=O)c3c(c2cc15)CCCC3.C4C(N)=O.O45 |
41556 | Nc1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 | [N][C][N][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][P][N][=Ring2][Ring1][Ring2] | Nc1nc2nc5cc4n2n1.c15ccc(F)cc1.C4(F)(F)F |
41557 | COC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][C] | c18ccc7cc1.c16ccccc1F.C4(=O)C5.C38=O.CO3.N47.O56 |
41558 | O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1CC1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N][C][C][C][Ring1][Ring1] | c17ccc(F)cc1.c14ncc6s1.O=C35.C15CC1.N34.C67 |
41560 | CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.c17ccco1.CC4C.C37=O.N45.N36 |
41562 | Cc1ccc(N(C(C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][N][Branch2][Ring1][Ring2][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.N13CCC(C)CC1.C4(C)C3=O.S5(C)(=O)=O.N456 |
41563 | CC(C)C(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][O][Ring1][S] | c16cc2c(cc14)OCCO2.CC(C)C6=O.c15cccs1.C35=O.N34 |
41564 | COC(=O)c1ccc(NC(=O)c2ccccc2SC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring1][P] | c16ccc5cc1.c17ccccc18.C36=O.C47=O.CO3.N45.S8C |
41565 | COc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc9cc16.c18ccc(F)cc1.C7C4=O.C39=O.CO5.N37.N48.O6C |
41566 | O=C(OCc1nc2ccccc2s1)c1cccs1 | [O][=C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] | c16nc2ccccc2s1.c15cccs1.O=C35.O34.C46 |
41567 | CS(=O)(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | C4CC1=CCCCC1.c16ccc7cc1.CS5(=O)=O.C37=O.N56.N34 |
41568 | COc1ccc(OC)c(NC(=O)CNC(=O)c2ccco2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c15ccc6c8c1.c19ccco1.C3(=O)C7.C49=O.CO5.O6C.N38.N47 |
41569 | COC(=O)c1ccccc1NC(=O)CNC(=O)c1cccs1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c18ccccc16.c17cccs1.C3(=O)C5.C28=O.C47=O.CO2.N36.N45 |
41570 | Cc1nn2c(-c3ccco3)nnc2c2ccccc12 | [C][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1nn2c4nnc2c2ccccc12.c14ccco1 |
41572 | Cc1cc(C)c2c(CC(=O)NCc3ccco3)coc2c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c2c7coc2c1.c16ccco1.C7C4=O.N45.C56 |
41574 | CN(C(=O)COc1ccccc1F)c1ccccc1 | [C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1F.c15ccccc1.C2(=O)C3.CN25.O34 |
41576 | Nc1nn(S(=O)(=O)c2ccccc2)cc1-c1ccc(Cl)cc1 | [N][C][=N][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Nc1nn(S(=O)(=O)c2ccccc2)cc13.c13ccc(Cl)cc1 |
41578 | O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17nc2ccccc2s1.c15cccnc17.c16ccco1.O=C35.N34.C46 |
41579 | NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 | [N][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c15ccc4cc1.n13nnc5n1.NC(=O)C3.C4(F)(F)F |
41580 | CCc1ccccc1NC(=O)CSc1c(C)n[nH]c1C | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c15ccccc14.c16c(C)n[nH]c1C.C2(=O)C3.CC5.N24.S36 |
41581 | Cc1n[nH]c(C)c1SCC(=O)Nc1cccc(Br)c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | Cc1n[nH]c(C)c15.c14cccc(Br)c1.C3C2=O.S35.N24 |
41582 | CCOc1ccccc1NC(=O)CSc1c(C)n[nH]c1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c14ccccc16.c17c(C)n[nH]c1C.C2(=O)C5.CC3.O34.N26.S57 |
41583 | CCc1cccc(NC(=O)CSc2c(C)n[nH]c2C)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16cccc5c1.c17c(C)n[nH]c1C.C3(=O)C4.CC6.N35.S47 |
41584 | COc1cc(NC(=O)CSc2c(C)n[nH]c2C)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14cc5cc7c1.c18c(C)n[nH]c1C.C3(=O)C6.CO4.N37.S68.O5C |
41585 | Cc1ccc(NC(=O)CSc2c(C)n[nH]c2C)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1ccc5cc1Cl.c16c(C)n[nH]c1C.C3(=O)C4.N35.S46 |
41586 | COc1ccc(NC(=O)c2csc3ccccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c18csc2ccccc12.c15ccc7cc16.C48=O.CO5.N47.O6C |
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