ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
41238 | Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3)c(C)c12 | [C][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Ring1][=N] | Cc1nnc4c2nn5c(C)c12.c15ccc(Cl)cc1.N14CCCC1 |
41239 | CCOc1ccc(-n2nc3c(OCC)nnc(C)c3c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][C][Branch1][Ring2][O][C][C][=N][N][=C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2] | n18nc2c6nnc(C)c2c1C.c17ccc8cc1.CC4.O47.O56.C5C |
41240 | CCOc1nnc(C)c2c(C)n(-c3cccc(OC)c3)nc12 | [C][C][O][C][=N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][Ring1][Ring1][=C] | c15nnc(C)c2c(C)n7nc12.c17cccc6c1.CC4.O45.O6C |
41241 | CCOc1nnc(C)c2c(C)n(-c3ccc(Cl)cc3)nc12 | [C][C][O][C][=N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][Ring1][=N] | c15nnc(C)c2c(C)n6nc12.c16ccc(Cl)cc1.CC4.O45 |
41242 | Cc1ccc2c(Cl)c(C)c(-n3nc(C)c(C#N)c3N)nc2n1 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][Branch1][S][N][N][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=N][C][Ring1][P][=N][Ring2][Ring1][Branch1] | Cc1ccc2c(Cl)c(C)c4nc2n1.n14nc(C)c(C#N)c1N |
41243 | Cc1ccc2c(Cl)c(C)c(-n3ncc(C#N)c3N)nc2n1 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=N][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2c(Cl)c(C)c4nc2n1.n14ncc(C#N)c1N |
41244 | N#Cc1cnn(-c2ncnc3c2nnn3Cc2ccccc2)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Branch1][N] | c16ncnc2c1nnn24.N#Cc1cnn6c1N.c15ccccc1.C45 |
41245 | c1ccc(Cn2nnc3c(N4CCCC4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][N][N][=N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | n16nnc2c5ncnc21.c1ccc7cc1.N15CCCC1.C67 |
41246 | c1ccc(Cn2nnc3c(Nc4ccc5c(c4)OCO5)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring2][C][C][N][N][=N][C][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] | n18nnc2c6ncnc21.c17ccc2c(c1)OCO2.c1ccc9cc1.C89.N67 |
41247 | CCOC(=O)c1nn(-c2ccccc2F)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring1][Branch2] | c15nn6c2nnc(C)c(=O)n12.c16ccccc1F.C35=O.CC4.O34 |
41248 | CCOC(=O)c1nn(-c2ccccc2C)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring1][Branch2] | c15nn6c2nnc(C)c(=O)n12.c16ccccc1C.C35=O.CC4.O34 |
41249 | CCOC(=O)c1nn(-c2cccc(Cl)c2)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring1][Branch2] | c15nn6c2nnc(C)c(=O)n12.c16cccc(Cl)c1.C35=O.CC4.O34 |
41250 | CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring1][Branch2] | c15nn6c2nnc(C)c(=O)n12.c16ccc(Cl)cc1.C35=O.CC4.O34 |
41251 | CCOC(=O)c1nn(-c2ccc(F)cc2)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring1][Branch2] | c15nn6c2nnc(C)c(=O)n12.c16ccc(F)cc1.C35=O.CC4.O34 |
41252 | CCOC(=O)c1nn(-c2ccc(C)cc2)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring1][Branch2] | c15nn6c2nnc(C)c(=O)n12.c16ccc(C)cc1.C35=O.CC4.O34 |
41253 | CCOC(=O)c1nn(-c2cccc(OC)c2)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][Ring1][Branch2] | c16nn7c2nnc(C)c(=O)n12.c17cccc5c1.C36=O.CC4.O34.O5C |
41254 | CCOC(=O)c1nn(-c2ccccc2)c2nnc(C)c(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][P][Ring1][Branch2] | c15nn6c2nnc(C)c(=O)n12.c16ccccc1.C35=O.CC4.O34 |
41255 | CCOc1ccccc1C(=O)Nc1ccc(OC)c(OC)c1 | [C][C][O][C][=C][C][=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] | c17ccc5c6c1.c14ccccc18.C28=O.CC3.O34.N27.O5C.O6C |
41258 | CCOc1ccccc1C(=O)Nc1nc(C)cc(C)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c15nc(C)cc(C)n1.c14ccccc16.C26=O.CC3.O34.N25 |
41259 | CCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring1][P] | c16cc(C)ccc1O.c15ccc7cc1.C37=O.CC4.O45.N36 |
41261 | Cc1cc(OC(=O)c2ccco2)ccc1NC(=O)c1ccco1 | [C][C][=C][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc5ccc16.c17ccco1.c18ccco1.C37=O.C48=O.O35.N46 |
41262 | CC(O)c1cccc(NC(=O)COc2ccccc2)c1 | [C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c17cccc6c1.c15ccccc1.C3(=O)C4.CC7O.N36.O45 |
41263 | COc1ccc(CC(=O)Nc2cccc(O)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc6cc1.c15cccc(O)c1.C6C3=O.CO4.N35 |
41264 | COc1ccccc1C(=O)Nc1ccc(O)cc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C] | c14ccc(O)cc1C.c13ccccc15.C25=O.CO3.N24 |
41265 | COc1ccccc1C(=O)Nc1cccc(C(C)O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2] | c13ccccc15.c14cccc6c1.C25=O.C6(C)O.CO3.N24 |
41266 | CC(O)c1cccc(NC(=O)c2ccccc2F)c1 | [C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S] | c16cccc4c1.c15ccccc1F.CC6O.C35=O.N34 |
41267 | CC(O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 | [C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c17cccc6c1.c15ccc(Cl)cc1.C3(=O)C4.CC7O.N36.O45 |
41268 | CCOc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16cccc8c1.C37=O.C8(C)O.CC4.O45.N36 |
41269 | COc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c15cccc7c1.C36=O.C7(C)O.CO4.N35 |
41270 | CC(O)c1cccc(NC(=O)CCc2ccccc2)c1 | [C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c15cccc4c1.c16ccccc1.C3(=O)CC6.CC5O.N34 |
41271 | CC(O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 | [C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][S] | c16cccc4c1.c15ccc(Br)cc1.CC6O.C35=O.N34 |
41272 | COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c15cccc7c1.C6C3=O.CO4.N35.S7C |
41275 | N#CCc1nc2ccccc2n1C(=O)COc1ccccc1 | [N][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2n1C(=O)C3.c14ccccc1.N#CC5.O34 |
41277 | O=C1c2ccccc2CC1Sc1nnnn1-c1ccccc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1c2ccccc2CC15.c14nnnn13.c13ccccc1.S45 |
41278 | CCOC(=O)c1cc2c(N(C)C)nc(SC)nc2s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][O][S][Ring1][=C] | c16cc2c5nc7nc2s1.C36=O.N5(C)C.CC4.O34.S7C |
41279 | CCOC(=O)c1sc2nc(SC)nc(OCC)c2c1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][Ring2][O][C][C][=C][Ring1][O][C][=Ring1][=C][N] | c17sc2nc8nc6c2c1N.C37=O.CC4.O34.S8C.O56.C5C |
41280 | CSc1nc(N)nn1S(=O)(=O)c1cc(Cl)ccc1Cl | [C][S][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c12nc(N)nn1S(=O)(=O)c1cc(Cl)ccc1Cl.CS2 |
41281 | CC(=O)c1sc(NCCc2ccccc2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c15sc4nc1C.c16ccccc1.CC5=O.C3C6.N34 |
41282 | CCOC(=O)c1sc(NCCc2ccccc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c17sc6nc1C.c18ccccc1.C37=O.C5C8.CC4.O34.N56 |
41283 | COc1ccc(OC)c(NC(=O)CN2CCc3ccccc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | N17CCc2ccccc21.c15ccc6c8c1.C4(=O)C7.CO5.O6C.N48 |
41284 | O=C(CN1CCc2ccccc21)Nc1ccc(F)cc1 | [O][=C][Branch1][#C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N14CCc2ccccc21.c15ccc(F)cc1.O=C3C4.N35 |
41285 | COC(=O)c1nnn(Cc2ccccc2)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=Branch1][C][=O][O][C] | c15nnn7c16.c18ccccc1.C35=O.C46=O.CO3.C78.O4C |
41286 | Cc1nnc(SC2c3ccccc3-c3ccccc32)n(N)c1=O | [C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][Branch1][C][N][C][Ring2][Ring1][Branch1][=O] | S4C1c2ccccc2-c2ccccc21.Cc1nnc4n(N)c1=O |
41287 | CCCc1nnc2n1NC(c1cc3ccccc3n3nnnc13)S2 | [C][C][C][C][=N][N][=C][N][Ring1][Branch1][N][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][=N][Ring1][Branch1][S][Ring2][Ring1][C] | c15cc2ccccc2n2nnnc12.c14nnc2n1NC5S2.CCC4 |
41288 | COc1cc(-n2nc(C)c(C#N)c2N)nc(SC)n1 | [C][O][C][=C][C][Branch1][S][N][N][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=N][C][Branch1][Ring1][S][C][=N][Ring1][P] | n14nc(C)c(C#N)c1N.c13cc4nc5n1.CO3.S5C |
41289 | CCOC(=O)c1ccc(Nc2ncnc(N)n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=N][C][=N][C][Branch1][C][N][=N][Ring1][#Branch1][C][=C][Ring1][=C] | c17ccc6cc1.c15ncnc(N)n1.C37=O.CC4.O34.N56 |
41292 | CCOc1cc(-n2ncc(C(=O)OC)c2N)nc(SC)n1 | [C][C][O][C][=C][C][Branch1][P][N][N][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][=N][C][Branch1][Ring1][S][C][=N][Ring2][Ring1][C] | c15cc7nc8n1.n17ncc6c1N.C36=O.CC4.O45.O3C.S8C |
41293 | CCOc1cc(-n2cncn2)nc(-c2ccccc2)n1 | [C][C][O][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | c14cc5nc6n1.c16ccccc1.n15cncn1.CC3.O34 |
41294 | CSc1nc(Oc2ccc(NC(C)=O)cc2)cc(-n2cncn2)n1 | [C][S][C][=N][C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][Ring2][Ring1][=Branch1] | c18nc4cc7n1.c15ccc6cc1.n17cncn1.C3(C)=O.CS8.O45.N36 |
41295 | COc1cnn(-c2cc(Oc3ccc(C)cc3)ncn2)c(=O)c1Cl | [C][O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][Cl] | c15cnn7c(=O)c1Cl.c17cc4ncn1.c16ccc(C)cc1.CO5.O46 |
41296 | CCc1nnc2sc(-c3cccc(OC)c3)nn12 | [C][C][C][=N][N][=C][S][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][N][Ring1][S][Ring1][=N] | c15nnc2sc6nn12.c16cccc4c1.CC5.O4C |
41297 | COc1cccc(NC(=O)Cc2noc3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c17noc2ccccc12.c15cccc6c1.C4(=O)C7.CO5.N46 |
41298 | COc1ccccc1NC(=O)Cc1noc2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16noc2ccccc12.c14ccccc15.C3(=O)C6.CO4.N35 |
41299 | CCCc1nn(C)c(C(=O)Nc2cccc(C(C)=O)c2)c1Cl | [C][C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][Cl] | c17nn(C)c5c1Cl.c14cccc6c1.CCC7.C35=O.C6(C)=O.N34 |
41300 | Cc1ccnc(NC(=O)Cc2noc3ccccc23)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c16noc2ccccc12.Cc1ccnc5c1.C4(=O)C6.N45 |
41301 | O=C(Cc1noc2ccccc12)Nc1cccnc1 | [O][=C][Branch1][#C][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15noc2ccccc12.c14cccnc1.O=C3C5.N34 |
41302 | Cc1ccc(NC(=O)Cc2noc3ccccc23)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring1] | c16noc2ccccc12.Cc1ccc5nc1.C4(=O)C6.N45 |
41303 | Cc1cccc2c(CC(=O)Nc3ccccc3)noc12 | [C][C][=C][C][=C][C][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1cccc2c6noc12.c15ccccc1.C6C4=O.N45 |
41305 | CC(C)(C)OC(=O)C1=C2c3ccccc3S(=O)(=O)N2CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][Ring1][=C] | C4(=O)C1=C2c3ccccc3S(=O)(=O)N2CC1.CC5(C)C.O45 |
41306 | COc1cccc(C2Cc3ccccc3C(=O)O2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][=C][Ring1][P] | C15Cc2ccccc2C(=O)O1.c14cccc5c1.CO4 |
41307 | COc1cnn(-c2ccccc2)c(=O)c1SCc1ccccc1 | [C][O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cnn6c(=O)c17.c16ccccc1.c15ccccc1.CO3.S47.C45 |
41308 | Cc1cc(Cl)ccc1NC(=O)CSc1nnc(C)n1N | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N] | Cc1cc(Cl)ccc14.c15nnc(C)n1N.C2(=O)C3.N24.S35 |
41309 | Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1N | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N] | Cc1c4cccc1Cl.c15nnc(C)n1N.C2(=O)C3.N24.S35 |
41310 | CC(C)(C)C1(O)NS(=O)(=O)c2cccc(Cl)c21 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][=N] | CC(C)(C)C1(O)NS(=O)(=O)c2cccc(Cl)c21 |
41311 | Cc1cccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | S2(=O)(=O)c1ccc(Cl)c(Cl)c1.Cc1cccnc13.N23 |
41312 | Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)CC3=O)cc1.c14ccc(Cl)cn1.N34 |
41313 | Cc1ccc(S(=O)(=O)CC(=O)Nc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)CC3=O)cc1.c14ccncc1.N34 |
41314 | O=C(CSc1ccccn1)Nc1nncs1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=N][N][=C][S][Ring1][Branch1] | c15ccccn1.c14nncs1.O=C2C3.S35.N24 |
41315 | O=C(CS(=O)(=O)c1ccccc1)Nc1nncs1 | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][S][Ring1][Branch1] | O=C2CS(=O)(=O)c1ccccc1.c13nncs1.N23 |
41316 | Cc1ccc(S(=O)(=O)CC(=O)Nc2nncs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc(S(=O)(=O)CC3=O)cc1.c14nncs1.N34 |
41317 | Cc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | C4(=O)CS(=O)(=O)c1ccccc1.Cc1ccc2nc5sc2c1.N45 |
41318 | CC(C)(C)c1csc(SCC(=O)Nc2nccs2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][#C] | c16csc7n1.c15nccs1.CC6(C)C.C4C3=O.S47.N35 |
41319 | Cc1cc(NC(=O)CSc2nc(-c3ccccc3)cs2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][=N][O][Ring2][Ring1][Branch1] | Cc1cc6no1.c17nc8cs1.c18ccccc1.C4(=O)C5.N46.S57 |
41320 | Cc1ccc(-c2csc(SCC(=O)Nc3cc(C)on3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=C][S][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.c18csc7n1.c16cc(C)on1.C5C4=O.S57.N46 |
41321 | Cc1nnc(SCC(=O)Nc2nc(C(C)(C)C)cs2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | Cc1nnc7s1.c15nc6cs1.C4C3=O.C6(C)(C)C.S47.N35 |
41322 | Nc1ncnn1C(=O)c1ccc(COCC(F)(F)F)cc1 | [N][C][=N][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N] | Nc1ncnn1C4=O.c14ccc5cc1.C3C(F)(F)F.C25.O23 |
41323 | Cc1cc(NC(=O)c2nn(C)c(C)c2Br)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][Br][=N][O][Ring1][S] | c15nn(C)c(C)c1Br.Cc1cc4no1.C35=O.N34 |
41324 | Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)cn1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][Ring1][S] | c14ccc(F)c(Cl)c1.Cn1cc5cn1.C35=O.N34 |
41325 | Cc1cc(NC(=O)c2nn(C)cc2Br)no1 | [C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][=N][O][Ring1][#C] | c15nn(C)cc1Br.Cc1cc4no1.C35=O.N34 |
41327 | Cn1nc(C(F)(F)F)cc1C(=O)NC1CCCCCC1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1] | Cn1nc5cc14.C13CCCCCC1.C5(F)(F)F.C24=O.N23 |
41328 | CCc1ccc(NC(=O)c2nn(C)c(C)c2Br)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][Br][C][=C][Ring1][P] | c15nn(C)c(C)c1Br.c16ccc4cc1.C35=O.CC6.N34 |
41329 | Cc1cc(NC(=O)c2nn(C)c(C)c2Cl)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][S] | c15nn(C)c(C)c1Cl.Cc1cc4no1.C35=O.N34 |
41330 | CCn1cc(Cl)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Branch1] | n18cc(Cl)c6n1.N14CCN5CC1.c17ccco1.C46=O.C57=O.CC8 |
41331 | Cn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=N][Ring2][Ring1][Branch1] | c17ccc5cc1.Cn1cc8cn1.c16ccccc1.C48=O.N47.O56 |
41332 | Cn1ncc(Cl)c1C(=O)NCc1cccs1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cn1ncc(Cl)c14.c15cccs1.C24=O.N23.C35 |
41333 | CCn1ncc(Br)c1C(=O)Nc1cc(C)on1 | [C][C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | n15ncc(Br)c14.c13cc(C)on1.C24=O.CC5.N23 |
41334 | Cn1ncc(Br)c1C(=O)NCc1cccs1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cn1ncc(Br)c14.c15cccs1.C24=O.N23.C35 |
41335 | Cn1cc(Br)c(C(=O)NCc2ccc(F)cc2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][P] | Cn1cc(Br)c5n1.c16ccc(F)cc1.C35=O.N34.C46 |
41336 | Cn1nc(C(F)(F)F)cc1C(=O)NC1CCCC1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | Cn1nc5cc14.C13CCCC1.C5(F)(F)F.C24=O.N23 |
41337 | O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1F | [O][=C][Branch1][S][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1Cl.c15ccccc1F.O=C3C4.C26=O.O24.N35 |
41338 | C#CCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 | [C][#C][C][N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n15c6nc2ccccc21.c16ccc3c4c1.C#CC5.O3C.O4C |
41339 | CC(=O)Nc1ccc(-c2nnc(SCC(=O)NC3CC3)n2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2] | c17ccc%10cc1.c1%10nnc9n1C.C6C5=O.CC4=O.C18CC1.N47.S69.N58 |
41340 | COc1ccc(C2=NCCO2)cc1OC1CCCC1 | [C][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][O][Ring1][Branch1][C][=C][Ring1][O][O][C][C][C][C][C][Ring1][Branch1] | c14ccc(C2=NCCO2)cc15.C13CCCC1.CO4.O35 |
41343 | COc1ccc(CCNS(=O)(=O)c2ccccc2F)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1][O][C] | S6(=O)(=O)c1ccccc1F.c13ccc7cc14.C7C5.CO3.N56.O4C |
41344 | Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21 | [C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][#Branch1] | Cn1c6cc2c(=O)n3ccccc3nc21.C17CCCO1.C46=O.N45.C57 |
41345 | Cn1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21 | [C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Branch2] | Cn1c6cc2c(=O)n3ccccc3nc21.c17cccnc1.C46=O.N45.C57 |
41346 | COC(=O)C1=C2c3ccccc3S(=O)(=O)N2CC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][Ring1][=C] | C4(=O)C1=C2c3ccccc3S(=O)(=O)N2CC1.CO4 |
41347 | CSc1ccc(C)cc1S(=O)(=O)N(C(C)C)C(C)C | [C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C] | c15ccc(C)cc1S4(=O)=O.N234.C2(C)C.C3(C)C.CS5 |
41348 | CC(C)(C)NC(=O)C12CCC(C)(C(=O)O1)C2(C)C | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C125CCC(C)(C(=O)O1)C2(C)C.CC4(C)C.C35=O.N34 |
41349 | Brc1cnc2cc(Br)cnc2c1 | [Br][C][=C][N][=C][C][=C][Branch1][C][Br][C][=N][C][Ring1][#Branch1][=C][Ring1][O] | Brc1cnc2cc(Br)cnc2c1 |
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