ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
33221 | CC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)CC1=O | [C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][C][C][C][Ring2][Ring1][C][=O] | CC1CN3C(C)CC1=O.c15ccc(Cl)c(Cl)c1.C34=O.N45 |
33222 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(OC)cc1OC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | C2(=O)C1=C(C)N(C)C(=O)NC16.c16ccc4cc15.CC3.O23.O4C.O5C |
33223 | Cc1ccc(-n2c(C)nc(N)c2C(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | n15c(C)nc(N)c13.Cc1ccc5cc1.c14ccccc1.C34=O |
33225 | Cc1cc(C)nc(SCc2cn3c(C)cc(C)nc3n2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][S][C][C][=C][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][C][Ring1][Branch2][=N][Ring1][O][=N][Ring2][Ring1][Ring2] | c15cn2c(C)cc(C)nc2n1.Cc1cc(C)nc6n1.S46.C45 |
33226 | CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C3(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(Cl)cc1.CC4.O34 |
33227 | Cc1cc(C)n(C(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n(C(=O)C5)n1.c16ccc2c(c1)OCO2.C46=O.N45 |
33228 | CC(=O)c1c(C)oc2c(Cl)c(Cl)c(O)cc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][=N][Ring1][=Branch2] | c13c(C)oc2c(Cl)c(Cl)c(O)cc12.CC3=O |
33229 | c1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | c15cn2ccccc2n1.c1ccc6cc1.n16nnnc17.S47.C45 |
33230 | CN(C)c1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][N][C][#N][C][=C][Ring2][Ring1][Ring2] | c16nn5c(N)c1C#N.c14ccc6cc1.c15ccccc1.CN4C |
33231 | COC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][#C][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][=C][=O] | n15cnc2c([nH]c3ccc(C)cc32)c1=O.C4(=O)C5.CO4 |
33235 | N#CC1(Nc2ccccc2Br)C(=O)Nc2ccccc21 | [N][#C][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | N#CC13C(=O)Nc2ccccc21.c14ccccc1Br.N34 |
33236 | CC(C)Cn1c(N)c(C#N)c2nc3ccccc3nc21 | [C][C][Branch1][C][C][C][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S] | n14c(N)c(C#N)c2nc3ccccc3nc21.CC(C)C4 |
33238 | COc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.c18nnc7n1N.C3(=O)C5.C7(F)(F)F.CO4.N36.S58 |
33239 | Nn1c(Cc2ccccc2)nc2sc3c(c2c1=O)CCC3 | [N][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][S][=O][C][C][C][Ring1][Branch2] | Nn1c4nc2sc3c(c2c1=O)CCC3.c15ccccc1.C45 |
33240 | COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C] | C6C(=O)n1nc(C)cc1C.c14ccc7cc15.C37=O.CO4.N36.O5C |
33241 | CCC1CC(C)(C(=O)Nc2ccc(Cl)cn2)OC1=O | [C][C][C][C][C][Branch1][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][O][C][Ring1][S][=O] | C16CC5(C)OC1=O.c14ccc(Cl)cn1.C35=O.CC6.N34 |
33242 | CC1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=N][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][C][Branch1][C][N][=O][C][Ring2][Ring1][=Branch1] | CC1CCc2c(sc5c27)C1.c16ccc(F)cc1.C46=O.C7(N)=O.N45 |
33243 | CCCC(=O)Nc1sc(C)c(C)c1C(=O)OCC | [C][C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][C] | c15sc(C)c(C)c16.CCCC3=O.C26=O.N35.O24.C4C |
33244 | CC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1.CC4=O.N45 |
33245 | Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCC4)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][P][S][C][=Ring1][Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=C][Ring1][=Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | n15c(=O)c2c3c(sc2n2c(C)nnc12)CCC3.Cc1ccc5cc1 |
33246 | Cc1cc(C)n(C(=O)CNC(=O)c2ccccc2Br)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n(C(=O)C4)n1.c15ccccc1Br.C35=O.N34 |
33247 | Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccc6cc1.Cc1cc(C)nc5n1.n16cnnn1.N45 |
33249 | Cc1cc(C)n(C(=O)CNC(=O)c2cccc(Br)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n(C(=O)C4)n1.c15cccc(Br)c1.C35=O.N34 |
33250 | CCCn1c(C(O)c2ccccc2OC)nc2ccccc21 | [C][C][C][N][C][Branch1][#C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n14c5nc2ccccc21.c16ccccc13.CCC4.C56O.O3C |
33252 | CCOC(=O)c1c(C)c(C)n(Cc2ccc(OC)c(OC)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Ring2][Ring1][C][C] | c17c(C)c(C)n8c1C.c19ccc5c6c1.C37=O.CC4.O34.C89.O5C.O6C |
33254 | Cc1nnc(SCC(=O)N2CCOCC2)c2ccccc12 | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | Cc1nnc5c2ccccc12.N13CCOCC1.C4C3=O.S45 |
33255 | Cc1sc2ncn(-c3ccc(Br)cc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncn4c(=O)c2c1C.c14ccc(Br)cc1 |
33256 | Cc1occc(=O)c1OC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][O][C][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | Cc1occc(=O)c14.c15ccc(Cl)c(Cl)c1.C23=O.O24.N35 |
33257 | Nc1nc(SCc2cccc(Oc3ccccc3)c2)n[nH]1 | [N][C][=N][C][Branch2][Ring1][=Branch1][S][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][=N][NH1][Ring2][Ring1][Ring2] | c17cccc4c1.Nc1nc8n[nH]1.c15ccccc1.S68.C67.O45 |
33258 | O=c1cc(NCc2ccccc2)nc2n1CCCS2 | [O][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][=C][C][C][C][S][Ring1][=Branch1] | O=c1cc4nc2n1CCCS2.c15ccccc1.N34.C35 |
33259 | CCOc1ccc(C(O)c2nc3ccccc3n2CC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=C][Ring2][Ring1][Ring1] | c17nc2ccccc2n16.c15ccc8cc1.C78O.CC4.O45.C6C |
33260 | O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1Cl | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=C1c2ccccc2S(=O)(=O)N13.c14ccccc1Cl.C34 |
33261 | COc1ccc(Nc2nccc3c2nnn3C)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][P] | c15nccc2c1nnn2C.c14ccc6cc1.CO4.N56 |
33262 | CC1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O][C][C][Ring2][Ring1][Branch1] | c15cc2cc(Cl)cc(Cl)c2oc1=O.CC1CCN4CC1.C45=O |
33263 | CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][S][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c16c7csc15.C3(=O)C(C)C.C7C(C)C.C26=O.CC4.O24.N35 |
33265 | O=C1c2ccccc2S(=O)(=O)N1Cc1c(Cl)cccc1Cl | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | O=C1c2ccccc2S(=O)(=O)N13.c14c(Cl)cccc1Cl.C34 |
33266 | COc1ccc(Nc2nc(C(F)(F)F)nc(C)c2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][C][=C][Ring1][O][C][#N][C][=C][Ring2][Ring1][Ring2] | c14nc6nc(C)c1C#N.c13ccc5cc1.C6(F)(F)F.CO3.N45 |
33267 | N#Cc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n15c(N)c(C#N)c2nc3ccccc3nc21.N#Cc1ccc5cc1 |
33268 | CCOC(=O)CSc1nc2cc(Cl)ccc2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c16nc2cc(Cl)ccc2[nH]1.C3(=O)C5.CC4.O34.S56 |
33269 | Cc1cc(C)n(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n(C(=O)C4)n1.c15ccc(Cl)cc1Cl.C35=O.N34 |
33270 | CCc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 | [C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | c14nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2.CC4 |
33271 | O=C(Nc1cccc(Cl)c1)OCc1ccccn1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15cccc(Cl)c1.c16ccccn1.O=C23.N35.O24.C46 |
33272 | CCCn1c(C(O)c2cccc(OC)c2OC)nc2ccccc21 | [C][C][C][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17cccc3c14.CCC5.C67O.O3C.O4C |
33273 | Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][C][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n2cc5nc2n1.c17nnnn16.c16ccccc1.C45.S47 |
33274 | COc1cccc(NC2OC(=O)c3c2ccc(OC)c3OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Branch1] | N7C1OC(=O)c2c1ccc5c26.c14cccc7c1.CO4.O5C.O6C |
33275 | COC(=O)c1c(C2Nc3ccccc3O2)ccc(OC)c1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c17c8ccc5c16.C18Nc2ccccc2O1.C47=O.CO4.O5C.O6C |
33277 | c1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c15cn2ccsc2n1.c1ccc6cc1.n16cnnc17.S47.C45 |
33278 | O=C(N1CCOCC1)N(Cc1ccccc1)c1ccccn1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | N12CCOCC1.c16ccccc1.c15ccccn1.O=C23.N345.C46 |
33279 | Cc1csc2nc(CSc3nnnn3-c3ccccc3)cn12 | [C][C][=C][S][C][=N][C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1csc2nc5cn12.c17nnnn16.c16ccccc1.C45.S47 |
33280 | Cc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)CCC4)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][S][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1][C][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | n15c(=O)c2c3c(sc2n2cnnc12)CCC3.Cc1ccc5cc1 |
33281 | N#Cc1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c14ccccc1F |
33285 | COc1ccc(-n2c(C)nc3ncnc(-c4ccccc4)c32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][C][=N][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n16c(C)nc2ncnc7c21.c15ccc6cc1.c17ccccc1.CO5 |
33286 | COc1ccc(C2=C(C)CC(c3ccccc3)NC2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc(C2=C(C)CC6NC2=O)cc15.c16ccccc1.CO4.O5C |
33287 | Cc1cc(C)n(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n(C(=O)C4)n1.c15ccc6cc1.C6(C)(C)C.C35=O.N34 |
33288 | CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1 | [C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14sc(C)c(C)c16.c15ccc(C)cc1.CC2=O.C36=O.N24.N35 |
33289 | Cc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 | [C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | Cc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 |
33290 | CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 | [C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][C][C][Ring1][N] | c15ccc2c3c(c(=O)oc2c1C)CCCC3.CC(=O)C4C.O45 |
33292 | CC(=O)c1ccc(NC(=O)NC(C(F)(F)F)C(F)(F)F)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1] | C4(C(F)(F)F)C(F)(F)F.c16ccc5cc1.CC6=O.C23=O.N25.N34 |
33293 | C=CCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21 | [C][=C][C][N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Ring1] | n16c5c(C#N)c2nc3ccccc3nc21.C=CC6.C4(C)=O.N45 |
33294 | CCOC(=O)c1ccc(CC(=O)c2ccc(O)cc2O)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][O][Ring1][S] | c16ccc(O)cc1O.c15ccc7o1.C7C6=O.C35=O.CC4.O34 |
33295 | Cc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12 | [C][C][=C][C][=C][C][=N][C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring2][Ring1][C] | Cc1cccc2nc5cn12.c17nnnn16.c16ccccc1.C45.S47 |
33296 | CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | c19c(C)n(C)c2ccc7cc12.c18ccco1.C49=O.C58=O.CC6.O46.O57 |
33298 | COc1ccccc1-n1cnc2sc3c(c2c1=O)CCCC3 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2] | n15cnc2sc3c(c2c1=O)CCCC3.c14ccccc15.CO4 |
33299 | COC(=O)c1c(N)nc(C)n1-c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14c(N)nc(C)n15.c15ccc3cc1.C24=O.CO2.O3C |
33300 | COc1ccccc1Cn1c(N)c(C#N)c2nc3ccccc3nc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S] | n15c(N)c(C#N)c2nc3ccccc3nc21.c14ccccc16.CO4.C56 |
33301 | COc1ccc(NC(=O)CCC2CCCC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.C3(=O)CC7.C17CCCC1.CO4.N36.O5C |
33302 | CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P][O][C][C] | c16ccc9cc17.c18ccc(F)cc1F.C39=O.CC4.O46.N38.O57.C5C |
33304 | CCOc1ccc(C(=O)NC2CCCCC2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][O][C][C] | c16ccc9cc17.C18CCCCC1.C39=O.CC4.O46.N38.O57.C5C |
33305 | CCOc1ccc(C(=O)NC2CCCC2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][O][C][C] | c16ccc9cc17.C18CCCC1.C39=O.CC4.O46.N38.O57.C5C |
33306 | CCOc1ccc(C(=O)Nc2cccnc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C][C] | c16ccc9cc17.c18cccnc1.C39=O.CC4.O46.N38.O57.C5C |
33307 | CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C][C] | c17ccc%11cc18.c19ccc%10cc1.C3%11=O.C4(C)=O.CC5.O57.N39.N4%10.O68.C6C |
33308 | CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C][C] | c16ccc9cc17.c18ccc%10cc1.C39=O.C%10(N)=O.CC4.O46.N38.O57.C5C |
33309 | CCOc1ccc(C(=O)Nc2ccncc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C][C] | c16ccc9cc17.c18ccncc1.C39=O.CC4.O46.N38.O57.C5C |
33310 | CCOC(=O)c1nnsc1NC(=O)C(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c16nnsc15.C3(=O)C(C)(C)C.C26=O.CC4.O24.N35 |
33311 | C=CCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc21 | [C][=C][C][N][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Ring2] | n16c5c(C#N)c2nc3ccccc3nc21.C4(=O)CC.C=CC6.N45 |
33312 | Cc1nc2ccccc2n1CC(O)COc1ccccc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccccc2n15.c14ccccc1.C5C(O)C3.O34 |
33313 | COc1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][C] | c16c(C)cc(=O)oc1C.c14ccc5cc1.C36=O.CO4.N35 |
33315 | Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(F)cc1 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cc(=O)oc(C)c14.c13ccc(F)cc1.C24=O.N23 |
33316 | COc1ccc2c(c1OC)C(=O)OC2Nc1cc(C)ccc1F | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F] | c13ccc2c(c14)C(=O)OC2N5.c15cc(C)ccc1F.CO3.O4C |
33317 | COC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1 | [C][O][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] | n18nnc2ccccc21.c17ccc6cc1.C5C(O)C8.C47=O.CO4.O56 |
33318 | COc1ccc2c(c1OC)C(=O)OC2Nc1ccc(F)c(F)c1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc2c(c14)C(=O)OC2N5.c15ccc(F)c(F)c1.CO3.O4C |
33319 | Cc1ccccc1NC(=O)c1c(C)cc(=O)oc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C] | c14c(C)cc(=O)oc1C.Cc1ccccc13.C24=O.N23 |
33320 | COc1ccc2cc(S(=O)(=O)n3cnc(C)c3)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c14ccc2cc(S(=O)(=O)n3cnc(C)c3)ccc2c1.CO4 |
33321 | Cc1cccc(C)c1OCC(O)Cn1nnc2ccccc21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.Cc1cccc(C)c14.C3C(O)C5.O34 |
33322 | COc1ccccc1NC(=O)c1c(C)cc(=O)oc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C] | c15c(C)cc(=O)oc1C.c13ccccc14.C25=O.CO3.N24 |
33323 | CCOc1ccccc1NC1OC(=O)c2c1ccc(OC)c2OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | N7C1OC(=O)c2c1ccc5c26.c14ccccc17.CC3.O34.O5C.O6C |
33325 | Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2ccccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2ccccc12.Cc1cc(=O)oc(C)c15.C35=O.N34 |
33326 | O=C1NC2(Nc3sc4c(c31)CCCC4)C(=O)Nc1ccccc12 | [O][=C][N][C][Branch2][Ring1][Ring1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][=Branch2][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | O=C1NC2(Nc3sc4c(c31)CCCC4)C(=O)Nc1ccccc12 |
33328 | CC(=O)OC(COc1ccccc1)Cn1nc(C)cc1C | [C][C][=Branch1][C][=O][O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | n16nc(C)cc1C.c15ccccc1.C3(C4)C6.CC2=O.O23.O45 |
33330 | CCC(=O)c1ccc(OC(=O)Cc2ccccc2)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc4cc1.c16ccccc1.CCC5=O.C3(=O)C6.O34 |
33331 | Cc1ccn(C(=O)Cc2cccc3ccccc23)n1 | [C][C][C][=C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=Ring2][Ring1][C] | c14cccc2ccccc12.Cc1ccn(C(=O)C4)n1 |
33332 | Cc1ccn(C(=O)c2ccc(Cl)cc2Cl)n1 | [C][C][C][=C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=Ring1][#C] | Cc1ccn(C3=O)n1.c13ccc(Cl)cc1Cl |
33333 | CC(=O)c1ccc(OC(=O)COc2ccccc2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c16ccccc1C.C3(=O)C4.CC7=O.O35.O46 |
33334 | CC(=O)c1ccc(OC(=O)COc2cccc(C)c2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c16cccc(C)c1.C3(=O)C4.CC7=O.O35.O46 |
33336 | CCc1ccc(OCC(=O)NCC2CCCO2)c(Br)c1 | [C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][C] | c18ccc5c(Br)c1.C17CCCO1.C4C3=O.CC8.O45.N36.C67 |
33337 | CCc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 | [C][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][P] | c16ccc5c(Br)c1.N13CCOCC1.C4C3=O.CC6.O45 |
33338 | CCc1ccc(OCC(N)=O)c(Br)c1 | [C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][Branch1][C][Br][=C][Ring1][N] | c14ccc3c(Br)c1.C2C(N)=O.CC4.O23 |
33339 | Cc1cc(OCC(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl | [C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1cc5ccc1Cl.c16ccc7cc1.C4C3=O.C7(N)=O.O45.N36 |
33340 | CC(=O)N(C)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc(Cl)c(C)c1.c17ccc8cc1.C4(=O)C5.CC3=O.N37C.N48.O56 |
33341 | CC(=O)Nc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c16cc(C)c(Cl)c(C)c1.c17ccc8cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
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