ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
46457 | Oc1ccccc1-c1ccnc(SC(F)F)n1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][Branch1][#Branch1][S][C][Branch1][C][F][F][=N][Ring1][#Branch2] | Oc1ccccc13.c13ccnc2n1.S2C(F)F |
46458 | O=c1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)o1 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | O=c1cc3n(S(=O)(=O)c2ccccc2)o1.c13ccccc1 |
46459 | c1ccc(-c2ncc(-c3nc4ccccc4o3)cn2)nc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=N][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2o1.c15ncc6cn1.c1ccc5nc1 |
46460 | c1cncc(-c2ncc(-c3nc4ccccc4o3)cn2)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=N][Ring1][#C][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2o1.c15ncc6cn1.c1cncc5c1 |
46461 | c1ccc2oc(-c3cnc(-c4ccncc4)nc3)nc2c1 | [C][=C][C][=C][O][C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c1ccc2oc5nc2c1.c15cnc6nc1.c16ccncc1 |
46462 | O=C(NC1CCCCC1)n1oc(=O)cc1-c1ccccc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2n1oc(=O)cc14.C13CCCCC1.c14ccccc1.N23 |
46465 | COc1cc2ncnc(NCc3cccc(F)c3F)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc2ncnc7c2cc15.c18cccc(F)c1F.CO4.N67.C68.O5C |
46466 | COc1cc2ncnc(NCc3cccs3)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring1][P][O][C] | c14cc2ncnc7c2cc15.c18cccs1.CO4.N67.C68.O5C |
46468 | COc1cc2ncnc(NCc3ccc4c(c3)OCO4)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2ncnc8c2cc16.c19ccc2c(c1)OCO2.CO5.N78.C79.O6C |
46469 | COc1cc2ncnc(NCc3ccc(C)o3)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | c14cc2ncnc7c2cc15.c18ccc(C)o1.CO4.N67.C68.O5C |
46471 | Nc1ccccc1SCC1CSc2nc3ccccc3c(=O)n21 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][Ring1][=C] | C4C1CSc2nc3ccccc3c(=O)n21.Nc1ccccc15.S45 |
46472 | CCOC(=O)c1cc2c(=O)ncn(Cc3ccccc3)c2nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][N][=C][Ring2][Ring1][C][C] | c16cc2c(=O)ncn7c2nc1C.c18ccccc1.C46=O.CC5.O45.C78 |
46473 | CC(C)(C)C(=O)Cn1ncc(NC2CC2)c(Br)c1=O | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][Branch1][C][Br][C][Ring1][O][=O] | n15ncc3c(Br)c1=O.CC(C)(C)C(=O)C5.C14CC1.N34 |
46474 | CN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1Cl | [C][N][Branch1][C][C][C][C][=N][N][Branch1][=C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][=C][Cl] | c12cnn3c(=O)c1Cl.C3C(=O)C(C)(C)C.CN2C |
46475 | CC(C)(C)C(=O)Cn1ncc(NC2CC2)c(Cl)c1=O | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][Branch1][C][Cl][C][Ring1][O][=O] | n15ncc3c(Cl)c1=O.CC(C)(C)C(=O)C5.C14CC1.N34 |
46476 | O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c14cc2c(s1)-c1ccccc1CC2.N13CCOCC1.O=C34 |
46477 | CN(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O] | c14cc2c(s1)-c1ccccc1CC2.CN3C.C34=O |
46479 | COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c17ncnc2cc(Cl)ccc12.c14ccc8cc15.CO4.C68.N67.O5C |
46480 | Clc1ccc2c(NCC3CCCO3)ncnc2c1 | [Cl][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][C][=N][C][Ring1][=N][=C][Ring1][P] | Clc1ccc2c5ncnc2c1.C16CCCO1.N45.C46 |
46481 | Clc1ccc2c(NCc3ccccn3)ncnc2c1 | [Cl][C][=C][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | Clc1ccc2c5ncnc2c1.c16ccccn1.N45.C46 |
46482 | Clc1ccc2c(NCc3cccs3)ncnc2c1 | [Cl][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][C][Ring1][=N][=C][Ring1][P] | Clc1ccc2c5ncnc2c1.c16cccs1.N45.C46 |
46483 | Clc1ccc2c(NCc3ccco3)ncnc2c1 | [Cl][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=N][C][Ring1][=N][=C][Ring1][P] | Clc1ccc2c5ncnc2c1.c16ccco1.N45.C46 |
46484 | Clc1ccc2c(NCc3ccc4c(c3)OCO4)ncnc2c1 | [Cl][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Clc1ccc2c6ncnc2c1.c17ccc2c(c1)OCO2.N56.C57 |
46485 | Cc1ccc(CNc2ncnc3cc(Cl)ccc23)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][O][Ring2][Ring1][C] | c15ncnc2cc(Cl)ccc12.Cc1ccc6o1.C46.N45 |
46486 | COC(=O)C(C)Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c16ccc8cc1.c18nccc7n1.c17ccccn1.C4(=O)C5C.CO4.O56 |
46488 | CN(C)S(=O)(=O)Nc1ccc(Br)cn1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | CN(C)S(=O)(=O)N2.c12ccc(Br)cn1 |
46489 | Cc1cc(C)cc(NC(=O)c2cn(C)nc2C(F)(F)F)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2] | Cc1cc4cc(C)c1.c15cn(C)nc16.C6(F)(F)F.C35=O.N34 |
46490 | Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(C(F)(F)F)n1 | [C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | Cn1cc5c6n1.c14ccc(Cl)cc1.C6(F)(F)F.C35=O.N34 |
46492 | Cn1cc(-c2nnnn2C2CC2)c(C(F)(F)F)n1 | [C][N][C][=C][Branch1][=N][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][P] | Cn1cc5c3n1.c15nnnn14.C3(F)(F)F.C14CC1 |
46495 | Clc1ccc(-c2csc(N3CCOCC3)n2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | Clc1ccc5cc1.c15csc4n1.N14CCOCC1 |
46496 | CCOC(=O)c1sc(N2CCOCC2)nc1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring1][O][C][Branch1][C][F][Branch1][C][F][F] | c16sc5nc17.N15CCOCC1.C7(F)(F)F.C36=O.CC4.O34 |
46497 | CCOC(=O)C(Cc1ccccc1)c1ccnc2ncnn12 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=N][C][=N][N][Ring1][=Branch2][Ring1][Branch1] | c15ccnc2ncnn12.C3(=O)C5C6.c16ccccc1.CC4.O34 |
46499 | COc1cc2ncnc(NCc3cc(F)ccc3F)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][#C][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc2ncnc7c2cc15.c18cc(F)ccc1F.CO4.N67.C68.O5C |
46500 | CCOC(=O)c1c(OC(C)=O)c2cccc3c2n(c1=O)CC3 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][Ring1][=C][=O][C][C][Ring1][#Branch1] | c18c7c2cccc3c2n(c1=O)CC3.C48=O.C5(C)=O.CC6.O46.O57 |
46501 | COc1cc2ncnc(NCC3CC3)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][=C][Ring1][#C][O][C] | c14cc2ncnc7c2cc15.C18CC1.CO4.N67.C68.O5C |
46502 | COC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][Ring1][#C] | c14ccc2c(c1)N(C5)C(=O)CS2.c15ccccc1.C34=O.CO3 |
46504 | Clc1ccc2c(Nc3ccncc3)ncnc2c1 | [Cl][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=N][C][Ring1][=N][=C][Ring1][P] | Clc1ccc2c4ncnc2c1.c15ccncc1.N45 |
46505 | Clc1ccc2c(NCc3cccnc3)ncnc2c1 | [Cl][C][=C][C][=C][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | Clc1ccc2c5ncnc2c1.c16cccnc1.N45.C46 |
46506 | COC(=O)c1ncc(O)c(C(=O)OC)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][O][C] | c15ncc(O)c6c17.C25=O.C36=O.C47=O.CO2.O3C.O4C |
46507 | O=C(NC1CCCC1)c1cc(C(=O)c2ccccc2F)c[nH]1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][NH1][Ring1][=C] | c17ccccc1F.c15cc6c[nH]1.C14CCCC1.O=C35.C67=O.N34 |
46508 | O=C(Cc1ccccc1)c1c[nH]c(C(=O)NCc2cccs2)c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c18ccccc1.c16c[nH]c5c1.c17cccs1.O=C6C8.C35=O.N34.C47 |
46509 | O=C(Cc1ccccc1)c1c[nH]c(C(=O)NC2CCCC2)c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=N] | c17ccccc1.c16c[nH]c5c1.C14CCCC1.O=C6C7.C35=O.N34 |
46511 | CCOC(=O)C=C1C=CC=CN1Cc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C1=5C=CC=CN14.c16ccccc1.C2(=O)C=5.CC3.O23.C46 |
46513 | FC(F)(F)c1cccn2c(C(F)(F)Cl)nnc12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][Cl][=N][N][=C][Ring1][=N][Ring1][=Branch2] | c14cccn2c3nnc12.FC4(F)F.C3(F)(F)Cl |
46514 | CCOC(=O)c1c(C)nn(-c2ccc(N)cn2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=N][Ring1][#Branch1][C][=Ring1][=N][C] | c15c(C)nn6c1C.c16ccc(N)cn1.C35=O.CC4.O34 |
46515 | CN(C)C(=O)CSc1nc(N)cc2ncnn12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][=N][C][=N][N][Ring1][#Branch2][Ring1][Branch1] | c15nc(N)cc2ncnn12.C3(=O)C4.CN3C.S45 |
46516 | CCOC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C] | c15c(C)nn6c1C.c16ccc(F)cc1.C35=O.CC4.O34 |
46517 | CCOC(=O)C1C(c2ccccc2)NC(=O)NC1(O)C(F)F | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=N][Branch1][C][O][C][Branch1][C][F][F] | C15C7NC(=O)NC16O.c17ccccc1.C35=O.C6(F)F.CC4.O34 |
46518 | CC(=O)C1C(c2ccccc2)NC(=O)NC1(O)C(F)(F)F | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=N][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C13C5NC(=O)NC14O.c15ccccc1.C4(F)(F)F.CC3=O |
46519 | CC(=O)C1C(c2ccccc2)NC(=O)NC1(O)C(F)(F)C(F)F | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=N][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F] | C13C5NC(=O)NC14O.c15ccccc1.C4(F)(F)C(F)F.CC3=O |
46521 | COC(=O)c1ccc(NC(=O)c2ccccc2C)cc1OC | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][O][C] | c17ccc6cc15.c18ccccc1C.C37=O.C48=O.CO3.N46.O5C |
46522 | CC(=O)c1nc2ccccc2n1Cc1ccc(F)cc1 | [C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13nc2ccccc2n14.c15ccc(F)cc1.CC3=O.C45 |
46523 | CCOC(=O)c1c(C)nn(-c2cccc(C)c2C)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Ring1][=C][C] | c15c(C)nn6c1C.c16cccc(C)c1C.C35=O.CC4.O34 |
46524 | FC(F)(Cl)c1nnc2ccc(Sc3ccccn3)nn12 | [F][C][Branch1][C][F][Branch1][C][Cl][C][=N][N][=C][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][S][Ring1][=N] | c14nnc2ccc5nn12.c16ccccn1.FC4(F)Cl.S56 |
46525 | Cc1cccc(-n2cnc(C(=O)Nc3cccnc3)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C][=N][Ring2][Ring1][Ring2] | Cc1cccc7n1.n17cnc6c1.c15cccnc1.C46=O.N45 |
46528 | CCC(C)NC(=O)c1cn(-c2cccc(C)n2)cn1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=N][Ring1][N] | c16cccc(C)n1.c15cn6cn1.CCC4C.C35=O.N34 |
46529 | Cc1cccc(-n2cnc(C(=O)NCC3CCCO3)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][=N][Ring2][Ring1][Ring2] | Cc1cccc8n1.n18cnc6c1.C17CCCO1.C46=O.N45.C57 |
46530 | O=S(=O)(c1ccc(Br)cc1)n1ccc2cccnc21 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | O=S(=O)(c1ccc(Br)cc1)n1ccc2cccnc21 |
46531 | COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c18nnc9n1N.c19cccs1.C46=O.CO4.C57.S58 |
46532 | Nn1c(SCc2cccc(F)c2)nnc1-c1cccs1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][S][Ring1][Branch1] | Nn1c5nnc16.c14cccc(F)c1.c16cccs1.S35.C34 |
46533 | Cc1cc(C)n(-c2nc(-c3ccccc3)cs2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][N][=Ring1][P] | Cc1cc(C)n4n1.c14nc5cs1.c15ccccc1 |
46534 | CC(=O)c1ccc2noc(-c3ccc4c(c3)OCO4)c2c1 | [C][C][=Branch1][C][=O][C][C][=C][C][=N][O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][=C][C][=Ring2][Ring1][C] | c15ccc2noc6c2c1.c16ccc2c(c1)OCO2.CC5=O |
46535 | O=C1OC(c2ccccc2)=NC1c1ccc2ccccc2n1 | [O][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | O=C1OC(c2ccccc2)=NC13.c13ccc2ccccc2n1 |
46536 | CCC(N1CCOC1=O)S(=O)(=O)c1ccc(C)cc1 | [C][C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | CCC2S(=O)(=O)c1ccc(C)cc1.N12CCOC1=O |
46537 | CC(N1CCOC1=O)S(=O)(=O)c1ccccc1 | [C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC2S(=O)(=O)c1ccccc1.N12CCOC1=O |
46538 | CC(C)C(NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC(C)C5S(=O)(=O)c1ccccc1.c16ccccc1.C23=O.N35.O24.C46 |
46539 | CC(C)C(N1CCOC1=O)S(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC(C)C2S(=O)(=O)c1ccccc1.N12CCOC1=O |
46540 | COC(=O)CC(c1ccccc1F)N1Cc2ccccc2C1=O | [C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] | N14Cc2ccccc2C1=O.c15ccccc1F.C3(=O)CC45.CO3 |
46541 | O=C(Cc1ncc(C(F)(F)F)cc1Cl)NC1CC1 | [O][=C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][C][C][C][Ring1][Ring1] | c14ncc5cc1Cl.O=C2C4.C5(F)(F)F.C13CC1.N23 |
46542 | O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCC1CCCO1 | [O][=C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][C][C][C][C][C][O][Ring1][Branch1] | c15ncc6cc1Cl.C14CCCO1.O=C2C5.C6(F)(F)F.N23.C34 |
46543 | O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1ccccn1 | [O][=C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ncc6cc1Cl.c15ccccn1.O=C2C4.C6(F)(F)F.N23.C35 |
46544 | CCOC(=O)c1cnc2ccc(-c3ccccc3)nn2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][N][C][Ring1][S][=O] | c16cnc2ccc7nn2c1=O.c17ccccc1.C46=O.CC5.O45 |
46545 | O=C(Cc1ncc(C(F)(F)F)cc1Cl)NC1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][C][C][C][C][C][Ring1][Branch1] | c14ncc5cc1Cl.C13CCCC1.O=C2C4.C5(F)(F)F.N23 |
46546 | CC1CCC2C(C1)c1c(n(C)c(=O)n(C)c1=O)OC2(C)C | [C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=Branch2][=O][O][C][Ring1][#C][Branch1][C][C][C] | CC1CCC2C(C1)c1c(n(C)c(=O)n(C)c1=O)OC2(C)C |
46547 | Cc1cc(=O)n2c(n1)SCC(c1ccccc1)=N2 | [C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][S][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] | Cc1cc(=O)n2c(n1)SCC(c1ccccc1)=N2 |
46548 | CCOC(=O)C1=Nn2c(nc(C)cc2=O)SC1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][C][=Branch1][O][=N][C][Branch1][C][C][=C][C][Ring1][#Branch1][=O][S][C][Ring1][N] | C3(=O)C1=Nn2c(nc(C)cc2=O)SC1.CC4.O34 |
46549 | O=C1CC(c2ccccc2)Cc2nc(N3CCOCC3)ncc21 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][Ring2][Ring1][=Branch1] | O=C1CC5Cc2nc4ncc21.c15ccccc1.N14CCOCC1 |
46550 | Cc1cc(SCC(N)=O)nc(SCc2ccccc2)n1 | [C][C][=C][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc6nc7n1.c15ccccc1.C3C(N)=O.S36.S47.C45 |
46551 | O=C1CC(c2ccc(F)cc2)Cc2nc(NC3CC3)ncc21 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][#Branch2][Ring2][Ring1][Branch1] | O=C1CC6Cc2nc4ncc21.c16ccc(F)cc1.C15CC1.N45 |
46552 | Cc1nc2n(c(=O)c1Br)NC(=O)CS2 | [C][C][N][=C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][=Ring1][#Branch1][Br][N][C][=Branch1][C][=O][C][S][Ring1][O] | Cc1nc2n(c(=O)c1Br)NC(=O)CS2 |
46553 | CCOC(=O)CN1C(=O)CSc2nc(C)cc(=O)n21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Ring1][Branch2][Ring1][=N] | C3(=O)CN1C(=O)CSc2nc(C)cc(=O)n21.CC4.O34 |
46554 | Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.Cc1cc(C)nc6n1.C34=O.N36.N45 |
46555 | CCOC(=O)c1cnc(SC)nc1NCc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cnc8nc15.c17ccccc1.C26=O.CC3.O23.S8C.N45.C47 |
46556 | Cc1cc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc(N)n1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][N][=N][Ring2][Ring1][=Branch1] | Cc1cc5nc(N)n1.n15nc6cc14.c16ccccc1.C4(F)(F)F |
46559 | Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccc(Cl)c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | S5(=O)(=O)c1cccc(Cl)c1.Cc1cc(C)nc6n1.C34=O.N36.N45 |
46560 | Cc1cc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1F.Cc1cc(C)nc6n1.N36C.C34=O.N45 |
46561 | Cc1cc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccc(F)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][N][Branch1][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | S5(=O)(=O)c1ccc(F)cc1.Cc1cc(C)nc6n1.N36C.C34=O.N45 |
46562 | CCOC(=O)c1cnc(SC)nc1NCc1nc2ccccc2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c18nc2ccccc2[nH]1.c17cnc9nc16.C37=O.CC4.O34.S9C.N56.C58 |
46563 | CC(=O)Nc1nc2ccccc2n1CCOc1ccc(F)cc1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nc2ccccc2n17.c15ccc(F)cc1.CC3=O.C7C4.N36.O45 |
46564 | NC1=Nc2nc3ccccc3n2C(c2ccccn2)N1 | [N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring2][Ring1][Ring1] | NC1=Nc2nc3ccccc3n2C(c2ccccn2)N1 |
46565 | Cn1cccc1C1NC(N)=Nc2nc3ccccc3n21 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][Branch1][C][N][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring1][=C] | Cn1cccc1C1NC(N)=Nc2nc3ccccc3n21 |
46566 | C=CCn1ccc(=O)c2c(C(F)(F)F)nccc21 | [C][=C][C][N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][Ring1][#Branch2][Ring1][#C] | n13ccc(=O)c2c4nccc21.C4(F)(F)F.C=CC3 |
46567 | CCCn1ccc(=O)c2c(C(F)(F)F)nccc21 | [C][C][C][N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][Ring1][#Branch2][Ring1][#C] | n13ccc(=O)c2c4nccc21.C4(F)(F)F.CCC3 |
46568 | COC(=O)c1cn(C2CCCCC2)c(=O)c2[nH]c(=O)[nH]c12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][P][=Ring1][=Branch1] | c14cn5c(=O)c2[nH]c(=O)[nH]c12.C15CCCCC1.C34=O.CO3 |
46569 | Cc1ccc2nnc(-c3ccc4c(c3)OCO4)n2c1 | [C][C][C][=C][C][=N][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring1][=C][C][=Ring2][Ring1][C] | Cc1ccc2nnc5n2c1.c15ccc2c(c1)OCO2 |
46570 | CNC(=O)c1cn(C2CCCCC2)c(=O)c2[nH]c(=O)[nH]c12 | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][P][=Ring1][=Branch1] | c14cn5c(=O)c2[nH]c(=O)[nH]c12.C15CCCCC1.C34=O.CN3 |
46571 | O=C(c1ncn2c(=O)n(C3CCCCC3)nnc12)N1CCCCC1 | [O][=C][Branch2][Ring1][O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1] | c15ncn2c(=O)n6nnc12.C16CCCCC1.N14CCCCC1.O=C45 |
46572 | CCOC(=O)c1cnn2c1nnc1c(=O)n(C)cnc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][N][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=Ring1][Branch2][Ring1][N] | c15cnn2c1nnc1c(=O)n(C)cnc12.C35=O.CC4.O34 |
46573 | CCn1c(=O)c(C#N)nn(-c2ccccc2C(F)(F)F)c1=O | [C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=N][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Ring1][=O] | n13c(=O)c(C#N)nn5c1=O.c15ccccc14.C4(F)(F)F.CC3 |
46574 | CCn1c(=O)c(C#N)nn(-c2ccc(Cl)cc2)c1=O | [C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | n13c(=O)c(C#N)nn4c1=O.c14ccc(Cl)cc1.CC3 |
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