ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
47285 | CCn1nccc1C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c15cc7ccc18.n19nccc16.C46=O.C27=O.C38=O.CC9.N45.O2C.O3C |
47287 | CCn1nccc1C(=O)Nc1ccccc1C(F)(F)F | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c13ccccc16.n15nccc14.C6(F)(F)F.C24=O.CC5.N23 |
47288 | CCn1nccc1C(=O)Nc1ccc(NC(C)=O)cc1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccc5cc1.n17nccc16.C26=O.C3(C)=O.CC7.N24.N35 |
47289 | CCn1nccc1C(=O)Nc1c(Cl)cccc1Cl | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c13c(Cl)cccc1Cl.n15nccc14.C24=O.CC5.N23 |
47290 | CCn1nccc1C(=O)Nc1ccc(F)cc1F | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.n15nccc14.C24=O.CC5.N23 |
47293 | Cn1nccc1C(=O)Nc1c(Cl)cccc1Cl | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c13c(Cl)cccc1Cl.Cn1nccc14.C24=O.N23 |
47294 | Cn1nccc1C(=O)Nc1ccc(Br)cc1F | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F] | c13ccc(Br)cc1F.Cn1nccc14.C24=O.N23 |
47295 | O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccn6n1.c17ccccc1.O=C35.N34.C67 |
47296 | CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n17nc(C)cc15.c16ccc(F)cc1.C2(=O)C7.C36=O.CC4.O24.N35 |
47297 | CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | n17nc(C)cc15.c16ccccc1F.C2(=O)C7.C36=O.CC4.O24.N35 |
47298 | CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccccn1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | n17nc(C)cc15.c16ccccn1.C2(=O)C7.C36=O.CC4.O24.N35 |
47299 | CCOC(=O)Cn1nc(C)cc1NC(=O)c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | n17nc(C)cc15.c16cccnc1.C2(=O)C7.C36=O.CC4.O24.N35 |
47300 | CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | n17nc(C)cc15.c16ccncc1.C2(=O)C7.C36=O.CC4.O24.N35 |
47301 | O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccn6n1.c17ccccc1.O=C35.N34.C67 |
47303 | C=CCn1cnnc1SCC(=O)Nc1cc(Cl)ccc1Cl | [C][=C][C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.n15cnnc16.C3C2=O.C=CC5.S36.N24 |
47304 | Cc1cc2c(c(SCC(=O)Nc3ccc(C)c(C)c3)n1)C(=O)OC2 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1] | Cc1cc2c(c7n1)C(=O)OC2.c16ccc(C)c(C)c1.C5C4=O.S57.N46 |
47305 | Cn1c(=O)c2c(nc3scc(CNc4ccccc4)n32)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][=C][S][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(nc3scc7n32)n(C)c1=O.c16ccccc1.C57.N56 |
47306 | CCn1nccc1C(=O)Nc1ccc(OC)c(OC)c1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c15ccc3c4c1.n17nccc16.C26=O.CC7.N25.O3C.O4C |
47307 | O=C1CC(C(=O)Nc2ccc(Cl)cc2Cl)n2ncnc2N1 | [O][=C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][Ring2] | O=C1CC(C3=O)n2ncnc2N1.c14ccc(Cl)cc1Cl.N34 |
47309 | COC(=O)c1ccn(CC(=O)Nc2ccccc2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][#C] | c16ccn7n1.c15ccccc1.C7C4=O.C36=O.CO3.N45 |
47310 | COc1cccc(COC(=O)c2nn(-c3ccccc3)nc2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][=C][Ring2][Ring1][=Branch1] | c16cccc8c1.c17nn9nc1N.c19ccccc1.C47=O.CO6.C58.O45 |
47311 | Nc1nn(-c2ccccc2)nc1C(=O)OCc1c(F)cccc1Cl | [N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c16c(F)cccc1Cl.Nc1nn7nc15.c17ccccc1.C35=O.O34.C46 |
47312 | COc1ccc(CCC(=O)NCCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | c17nc2ccccc2[nH]1.c15ccc8cc1.C8CC4=O.C6C7.CO5.N46 |
47313 | Cn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1c[nH]c2ccccc12 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][=Branch1][C][=O][C][C][Ring1][=N][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | Cn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1c[nH]c2ccccc12 |
47314 | O=C1OCC2=C1C(c1ccccc1F)CC(=O)N2c1cccc(F)c1 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=C1OCC2=C1C4CC(=O)N23.c14ccccc1F.c13cccc(F)c1 |
47315 | O=C1OCC2=C1C(c1ccc(F)cc1)CC(=O)N2c1cccc(F)c1 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=C1OCC2=C1C4CC(=O)N23.c14ccc(F)cc1.c13cccc(F)c1 |
47316 | Nc1cc(=O)[nH]c(SCc2cccc(F)c2)n1 | [N][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][S] | Nc1cc(=O)[nH]c5n1.c14cccc(F)c1.S35.C34 |
47317 | O=C1OCC2=C1C(c1ccccc1)CC(=O)N2c1cccc(F)c1 | [O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=C1OCC2=C1C4CC(=O)N23.c13cccc(F)c1.c14ccccc1 |
47318 | Cc1cccc(Cn2nc(C)c(NC(=O)c3cccnc3)c2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][N][=C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | n17nc(C)c5c1C.Cc1cccc8c1.c16cccnc1.C46=O.C78.N45 |
47319 | O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c14ccn6n1.c17ccccc1.O=C35.N34.C67 |
47320 | Cc1cc(NC(=O)c2cnccn2)n(Cc2ccc(F)cc2)n1 | [C][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][=Branch1] | Cc1cc4n6n1.c17ccc(F)cc1.c15cnccn1.C35=O.N34.C67 |
47322 | O=C(COc1ccc(F)cc1)Nc1ccn(Cc2ccccc2)n1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N] | c15ccc(F)cc1.c16ccn7n1.c18ccccc1.O=C3C4.O45.N36.C78 |
47323 | COc1cccc(C(=O)Nc2cc(C)nn2Cc2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] | c14cccc6c1.c15cc(C)nn17.c18ccc(F)cc1.C36=O.CO4.N35.C78 |
47324 | Cc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)c(C)c2)no1 | [C][C][=N][C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][P][=N][O][Ring2][Ring1][=Branch1] | c17ccc5c(C)c1.c16ccc(F)cc1.Cc1nc7no1.C46=O.N45 |
47325 | Cc1nc(-c2ccc(NC(=O)c3cccs3)c(C)c2)no1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c17ccc5c(C)c1.Cc1nc7no1.c16cccs1.C46=O.N45 |
47328 | COC(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c19nc2ccccc2[nH]1.c17ccc8cc1.C47=O.C58=O.C6C9.CO4.N56 |
47329 | O=C(NCCc1nc2ccccc2[nH]1)c1cccnc1 | [O][=C][Branch1][P][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16nc2ccccc2[nH]1.c15cccnc1.O=C35.C4C6.N34 |
47330 | COc1ccc(CC(=O)NCCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c17nc2ccccc2[nH]1.c15ccc8cc1.C8C4=O.C6C7.CO5.N46 |
47332 | O=C(NCc1nc2ccccc2[nH]1)c1ccccn1 | [O][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nc2ccccc2[nH]1.c15ccccn1.O=C35.N34.C46 |
47333 | O=C(NCc1nc2ccccc2[nH]1)c1cccnc1 | [O][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16nc2ccccc2[nH]1.c15cccnc1.O=C35.N34.C46 |
47334 | COc1ccc(OCC(=O)NCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c19nc2ccccc2[nH]1.c16ccc7cc1.C5C4=O.CO6.O57.N48.C89 |
47335 | CC(OCc1ccccc1)n1cc(Nc2ccccc2)c(=O)[nH]c1=O | [C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring1][=C][=O] | n17cc5c(=O)[nH]c1=O.c18ccccc1.c16ccccc1.CC37.O34.C48.N56 |
47337 | O=C(Nc1ccc(Cl)cc1)c1cc2c([nH]c1=O)CCCC2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2] | c15cc2c([nH]c1=O)CCCC2.c14ccc(Cl)cc1.O=C35.N34 |
47339 | Cc1cccn2cc(CNc3ccc(F)cc3)nc12 | [C][C][=C][C][=C][N][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][Ring1][=C] | Cc1cccn2cc6nc12.c15ccc(F)cc1.C46.N45 |
47340 | COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c18nc2ccccc2[nH]1.c15ccc7cc1.C47=O.CO5.N46.C68 |
47342 | CCOC(=O)c1nccnc1C(=O)Nc1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nccnc17.c15ccc(F)cc1.C26=O.C37=O.CC4.O24.N35 |
47343 | CCOC(=O)c1nccnc1C(=O)Nc1ccccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16nccnc17.c15ccccc1Cl.C26=O.C37=O.CC4.O24.N35 |
47344 | Cn1nccc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cn1nccc15.C35=O.N34 |
47345 | Cn1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cn1 | [C][N][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring1] | Cn1cc(S3(=O)=O)cn1.c14cccc5c1.C5(F)(F)F.N34 |
47346 | Cn1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][Ring1][P] | Cn1cc(S3(=O)=O)cn1.c14ccc(Cl)c(Cl)c1.N34 |
47347 | Cn1cc(S(=O)(=O)Nc2ccc(F)cc2F)cn1 | [C][N][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=N][Ring1][P] | Cn1cc(S3(=O)=O)cn1.c14ccc(F)cc1F.N34 |
47348 | Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1 | [C][N][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][S] | Cn1cc(S3(=O)=O)cn1.c14ccc(Cl)cc1.N34 |
47349 | Cn1cc(S(=O)(=O)NCc2ccccc2Cl)cn1 | [C][N][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring1][P] | Cn1cc(S4(=O)=O)cn1.c15ccccc1Cl.N34.C35 |
47350 | Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc2cn[nH]c2c1 | [C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][=C][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] | Cc1nc(=O)c4c(C)n13.c13ccc2cn[nH]c2c1.c14ccccc1 |
47351 | CCOC(=O)Cn1nc(C)c(NC(=O)c2ccncc2)c1C | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C][C] | n18nc(C)c6c1C.c17ccncc1.C3(=O)C8.C47=O.CC5.O35.N46 |
47352 | Nc1c(Br)c(=O)[nH]c(=O)n1-c1ccc(F)cc1 | [N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Nc1c(Br)c(=O)[nH]c(=O)n12.c12ccc(F)cc1 |
47354 | Cc1cccn2cc(CNc3cccc(F)c3)nc12 | [C][C][=C][C][=C][N][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][Ring1][=C] | Cc1cccn2cc6nc12.c15cccc(F)c1.C46.N45 |
47355 | CC(C)C(=O)c1cc2c(cc1NC(=O)c1ccccc1F)OCCO2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][C][O][Ring2][Ring1][C] | c15cc2c(cc14)OCCO2.c16ccccc1F.CC(C)C5=O.C36=O.N34 |
47356 | CCC(=O)c1cc2c(cc1NC(=O)c1ccccc1F)OCCO2 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][C][O][Ring2][Ring1][C] | c15cc2c(cc14)OCCO2.c16ccccc1F.CCC5=O.C36=O.N34 |
47357 | Nc1c(-c2ccc(F)cc2)nnn1-c1ccccc1F | [N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Nc1c4nnn13.c14ccc(F)cc1.c13ccccc1F |
47358 | COc1cccc(-n2nnc(S(=O)(=O)c3ccc(C)cc3)c2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][N][=N][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] | n15nnc(S(=O)(=O)c2ccc(C)cc2)c1N.c14cccc5c1.CO4 |
47359 | Nc1c(-c2nc3ccccc3[nH]2)nnn1-c1ccc(F)c(Cl)c1 | [N][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=N][N][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15nc2ccccc2[nH]1.c14ccc(F)c(Cl)c1.Nc1c5nnn14 |
47360 | Nc1c(-c2nc3ccccc3[nH]2)nnn1-c1cccc(F)c1 | [N][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=N][N][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15nc2ccccc2[nH]1.Nc1c5nnn14.c14cccc(F)c1 |
47361 | COc1ccc(Cl)cc1-n1nnc(-c2nc3ccccc3[nH]2)c1N | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=N][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][=C][N] | c16nc2ccccc2[nH]1.c14ccc(Cl)cc15.n15nnc6c1N.CO4 |
47362 | Nc1c(-c2nc3ccccc3[nH]2)nnn1-c1ccccc1Cl | [N][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=N][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15nc2ccccc2[nH]1.Nc1c5nnn14.c14ccccc1Cl |
47365 | COC(=O)c1ccc2c(=O)n3c(nc2c1)SCCC3 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Branch2][=N][C][Ring1][#Branch1][=C][Ring1][O][S][C][C][C][Ring1][=Branch2] | c15ccc2c(=O)n3c(nc2c1)SCCC3.C45=O.CO4 |
47367 | O=c1c2sccc2nc2sc3ncccc3n12 | [O][=C][C][S][C][=C][C][=Ring1][Branch1][N][=C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][Ring1][=Branch2] | O=c1c2sccc2nc2sc3ncccc3n12 |
47368 | CC1(C)OC(=O)N(CCC(=O)Nc2cccc(F)c2)C1(C)O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][Branch1][C][C][O] | CC1(C)OC(=O)N5C1(C)O.c14cccc(F)c1.C5CC3=O.N34 |
47369 | CCC1(C)OC(=O)N(CCC(=O)Nc2cccc(F)c2)C1(C)O | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][Branch1][C][C][O] | C16(C)OC(=O)N5C1(C)O.c14cccc(F)c1.C5CC3=O.CC6.N34 |
47370 | C#CC(C)(CC)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 | [C][#C][C][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N] | c16ccc(Cl)cc1.C#CC4(C)CC.n15nnc6n1.C3(=O)C5.N34 |
47372 | Cn1cc(C2NC(N)=Nc3nc4ccccc4n32)c2cc(F)ccc21 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][N][C][Branch1][C][N][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch2] | Cn1cc(C2NC(N)=Nc3nc4ccccc4n32)c2cc(F)ccc21 |
47373 | CCOC(=O)c1nccnc1C(=O)Nc1ccccc1OC | [C][C][O][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c17nccnc18.c16ccccc15.C27=O.C38=O.CC4.O24.N36.O5C |
47374 | CCOc1ccccc1NC(=O)c1c(Br)cnn1CC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][C] | c14ccccc15.c16c(Br)cnn17.C26=O.CC3.O34.N25.C7C |
47375 | CCn1ncc(Br)c1C(=O)NCc1ccc(F)cc1 | [C][C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15ncc(Br)c14.c16ccc(F)cc1.C24=O.CC5.N23.C36 |
47376 | CCOc1ccccc1NS(=O)(=O)c1cnn(CC)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1] | S4(=O)(=O)c1cnn6c1.c13ccccc15.CC2.O23.N45.C6C |
47377 | CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][=N][Ring1][P] | n15cc(S3(=O)=O)cn1.c14cc(Cl)ccc1C.CC5.N34 |
47378 | CCn1cc(S(=O)(=O)Nc2ccc(F)cc2F)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=N][Ring1][P] | n15cc(S3(=O)=O)cn1.c14ccc(F)cc1F.CC5.N34 |
47379 | CCn1cc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cn1 | [C][C][N][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring2] | n17cc(S6(=O)=O)cn1.c18ccc3c4c1.CC7.N56.C58.O3C.O4C |
47380 | CCOC(=O)C1CCN(S(=O)(=O)c2cnn(CC)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1cnn7c1.C16CCN5CC1.C36=O.CC4.O34.C7C |
47381 | CCn1cc(S(=O)(=O)NCc2ccccc2Cl)cn1 | [C][C][N][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring1][P] | n15cc(S4(=O)=O)cn1.c16ccccc1Cl.CC5.N34.C36 |
47382 | CCn1cc(S(=O)(=O)NCCc2ccc(OC)cc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][Ring2][Ring1][Ring1] | n16cc(S5(=O)=O)cn1.c17ccc3cc1.C4C7.CC6.N45.O3C |
47383 | CCC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n17nnc2ccccc21.c16ccc5cc1.C4C(O)C7.CCC6=O.O45 |
47384 | Cc1cc(N2CCCC2=O)c(NC(=O)C2CC2)cc1NC(=O)C1CC1 | [C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | Cc1cc9c5cc16.N19CCCC1=O.C37=O.C17CC1.C48=O.C18CC1.N35.N46 |
47385 | Cc1ccc2c(Cl)cc(Cl)c(OC(=O)N3CCOCC3)c2n1 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][P][=N][Ring2][Ring1][Branch1] | Cc1ccc2c(Cl)cc(Cl)c6c2n1.N15CCOCC1.C45=O.O46 |
47386 | NC(=O)CS(=O)(=O)c1nc2ccccc2n1Cc1cccc(F)c1 | [N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | NC(=O)CS(=O)(=O)c1nc2ccccc2n13.c14cccc(F)c1.C34 |
47387 | COc1cc(C(C)=O)ccc1OCC(O)Cn1cnc2ccccc21 | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n17cnc2ccccc21.c14cc6ccc15.C3C(O)C7.C6(C)=O.CO4.O35 |
47388 | O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1cccs1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=N][=Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14cccc2[nH]c6nc12.c15cccs1.C6(F)(F)F.O=C35.N34 |
47389 | O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=N][=Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1] | c14cccc2[nH]c6nc12.c15ccco1.C6(F)(F)F.O=C35.N34 |
47390 | Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc2[nH]cnc12 | [C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][=C][C][=C][C][=C][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1] | Cc1nc(=O)c4c(C)n13.c13cccc2[nH]cnc12.c14ccccc1 |
47391 | CCC(=O)c1c(NCc2ccccc2)cc(C)oc1=O | [C][C][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][O][C][Ring1][#C][=O] | c15c4cc(C)oc1=O.c16ccccc1.CCC5=O.N34.C36 |
47392 | O=C(Nc1nccs1)c1cc(F)c(N2CCOCC2)c(F)c1F | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=C][F] | c16cc(F)c5c(F)c1F.N15CCOCC1.c14nccs1.O=C36.N34 |
47393 | CC(C)(CC1(C)OC(=O)NC1(C)O)c1ccccc1 | [C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Ring1][#Branch1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C12(C)OC(=O)NC1(C)O.c13ccccc1.CC3(C)C2 |
47394 | O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=N][=Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc2[nH]c6nc12.c15ccccc1.C6(F)(F)F.O=C35.N34 |
47395 | Cc1[nH]c2ccccc2c1C(=O)CSc1nnnn1C | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | Cc1[nH]c2ccccc2c14.c15nnnn1C.C4(=O)C3.S35 |
47396 | CCOC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | C17C(=O)NCCN13.C16CCCCC1.C2(=O)C7.C34=O.CC5.O25.N46 |
47397 | O=C1CC2C(=O)NCCN2C(NC(=O)c2ccc(F)cc2)=N1 | [O][=C][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | O=C1CC2C(=O)NCCN2C(N3)=N1.c14ccc(F)cc1.C34=O |
47398 | COc1ccc(C(=O)NC2=NC(=O)CC3C(=O)NCCN23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | N4C1=NC(=O)CC2C(=O)NCCN12.c15ccc6cc1.C46=O.CO5 |
47400 | Cc1cc(CNC(=O)Cc2ccc(F)cc2)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc5c2ccccc2n1.c16ccc(F)cc1.C3(=O)C6.C45.N34 |
47401 | COc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][=C][Ring1][P] | c14cccc6c1.c15cnn7c1.C36=O.C7(C)C.CO4.N35 |
47402 | CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n18nc(C)cc16.c17ccc5cc1.C2(=O)C8.C37=O.CC4.O24.N36.O5C |
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