ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
43202 | O=C1c2ccccc2-c2nc3nc(-c4ccccc4)cn3nc21 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][N][=C][Ring1][#C][Ring2][Ring1][=Branch1] | O=C1c2ccccc2-c2nc3nc5cn3nc21.c15ccccc1 |
43203 | O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1Cl | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c14nnc6s1.c16ccco1.O=C35.N34 |
43204 | CSc1nnc2c3c4c(sc3ncn12)COC(C)(C)C4 | [C][S][C][=N][N][=C][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=N] | c15nnc2c3c4c(sc3ncn12)COC(C)(C)C4.CS5 |
43205 | Cc1cc(CN2C(=O)c3ccccc3S2(=O)=O)cc(C)n1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=C][C][Branch1][C][C][=N][Ring2][Ring1][Ring2] | N14C(=O)c2ccccc2S1(=O)=O.Cc1cc5cc(C)n1.C45 |
43206 | N#Cc1c(=O)c2ccccc2n2c1ccc1ccccc12 | [N][#C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N#Cc1c(=O)c2ccccc2n2c1ccc1ccccc12 |
43207 | CCc1nnc(NC(=O)CCC(=O)Nc2ccc(C)cc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring2] | C3(=O)CCC4=O.c16ccc(C)cc1.c17nnc5s1.CC7.N35.N46 |
43208 | COn1c(-n2nc(C)cc2CC(C)C)nc2ccccc2c1=O | [C][O][N][C][Branch1][P][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | COn1c4nc2ccccc2c1=O.n14nc(C)cc13.C3C(C)C |
43209 | Cc1nnc(NC(=O)CCC(=O)NCc2ccco2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][Ring2][Ring1][Ring1] | C3(=O)CCC4=O.Cc1nnc6s1.c17ccco1.N36.N45.C57 |
43210 | CC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c18nc2ccc(C)cc2[nH]1.c17ccc6cc1.C4(=O)C5.CC7=O.N46.S58 |
43211 | CCc1nnc(NC(=O)CCC(=O)NCc2ccccc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] | C3(=O)CCC4=O.c17nnc6s1.c18ccccc1.CC7.N36.N45.C58 |
43212 | CC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12 | [C][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][Ring1][O] | c15nn(C)c2nc3c(C)cccc3cc12.CC4=O.N45 |
43214 | O=c1c(F)cn(C2CCCO2)c(=O)n1CC=Cc1ccccc1 | [O][=C][C][Branch1][C][F][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(F)cn5c(=O)n14.C=3c1ccccc1.C15CCCO1.C4C=3 |
43215 | O=c1c2ccccc2ncn1Cc1cnnn1-c1ccccc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][=C][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2ccccc2ncn13.c14cnnn15.c15ccccc1.C34 |
43216 | CCc1nnc(NC(=O)CCC(=O)NC2CC2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring1][S] | C3(=O)CCC4=O.c17nnc5s1.C16CC1.CC7.N35.N46 |
43217 | COc1ccc(C(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][Branch2] | c17nn(C)c2nc3c(C)cccc3cc12.c16ccc8cc1.C58=O.CO6.N57 |
43218 | CC1Cn2c(nc3sc4c(c3c2=O)CCC4)S1 | [C][C][C][N][C][=Branch2][Ring1][Ring2][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Ring1][Branch2][S][Ring1][S] | CC1Cn2c(nc3sc4c(c3c2=O)CCC4)S1 |
43219 | CCc1ccc(CCC(=O)Nc2nnc(CC)s2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1][O][Ring1][P] | c15ccc6o1.c14nnc7s1.C6CC3=O.CC5.N34.C7C |
43220 | CC(C)(C)C1(O)CC(C(=O)NCc2ccccc2)(C(C)(C)C)OC1=O | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][C][Ring2][Ring1][Ring2][=O] | C17(O)CC56OC1=O.c18ccccc1.CC7(C)C.C6(C)(C)C.C35=O.N34.C48 |
43221 | Cc1cccc2cc3c(NC(=O)c4ccccc4)nn(C)c3nc12 | [C][C][=C][C][=C][C][=C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][C][C][C][=Ring1][#C][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1cccc2cc3c6nn(C)c3nc12.c17ccccc1.C57=O.N56 |
43222 | COc1ccccc1C(=O)C(C#N)c1ccccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c12ccccc13.C3(=O)C4C#N.c14ccccn1.CO2 |
43223 | OC1CSc2nc(-c3ccccc3)c(-c3ccccc3)n2C1 | [O][C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][C][Ring2][Ring1][Branch1] | OC1CSc2nc4c5n2C1.c14ccccc1.c15ccccc1 |
43224 | CCOC(=O)c1nnsc1NC(=O)Nc1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c18nnsc16.c17cccnc1.C28=O.C34=O.CC5.O25.N36.N47 |
43225 | Nc1nc(SCc2c(Cl)cccc2Cl)c2nc[nH]c2n1 | [N][C][=N][C][Branch1][#C][S][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][Ring1] | Nc1nc5c2nc[nH]c2n1.c14c(Cl)cccc1Cl.S35.C34 |
43226 | CCn1nc(NC(=O)c2ccco2)c2cc3cc(C)ccc3nc21 | [C][C][N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Ring2][Ring1][=Branch1] | n17nc5c2cc3cc(C)ccc3nc21.c16ccco1.C46=O.CC7.N45 |
43228 | Cc1cccc2cc3c(NC(=O)c4ccncc4)nn(C)c3nc12 | [C][C][=C][C][=C][C][=C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Branch1][C][C][C][=Ring1][#C][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1cccc2cc3c6nn(C)c3nc12.c17ccncc1.C57=O.N56 |
43229 | Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1c1ccc(Cl)cc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN13.c13ccc(Cl)cc1 |
43230 | CC(C)Cc1nnc(NC(=O)c2ccco2)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][=N] | c16nnc4s1.c15ccco1.CC(C)C6.C35=O.N34 |
43231 | CCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring2] | C3(=O)CCC4=O.c16ccc(F)cc1.c17nnc5s1.CC7.N35.N46 |
43232 | COc1ccc2[nH]c3c(N4CCCCC4C)ncnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][N][=C][N][=C][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2[nH]c3c6ncnc3c2c1.N16CCCCC1C.CO5 |
43233 | Cc1nc(C)c(CC(=O)c2c(C)cc(O)cc2O)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][S][Ring2][Ring1][C] | c13c(C)cc(O)cc1O.Cc1nc(C)c4s1.C4C3=O |
43234 | CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16cc(=O)[nH]c2ccccc12.c15ccccc1C.CC3=O.N345.C46 |
43235 | CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1C | [C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c17cc2ccc(C)cc2[nH]c1=O.c16ccccc1C.N345.C36=O.CC4.C57 |
43236 | CC(C)Cc1nnc(NC(=O)CCC(=O)NC2CC2)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring1][S] | C3(=O)CCC4=O.c17nnc5s1.CC(C)C7.C16CC1.N35.N46 |
43237 | Cc1cccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c12 | [C][C][=C][C][=C][C][C][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring2][=Ring1][S] | Cc1cccc2cc7c(=O)[nH]c12.C16CCCO1.C46=O.C57.O45 |
43238 | Cc1c(Nc2nc3nonc3nc2N)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][S][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][C] | c14nc2nonc2nc1N.Cc1c5c(=O)n6n1C.c16ccccc1.N45 |
43240 | CC1=C(c2ccccc2)C(=O)NC(c2ccccc2)C1 | [C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | CC1=C(c2ccccc2)C(=O)NC3C1.c13ccccc1 |
43241 | CC1(C)CC(CC(=O)Nc2nc(-c3ccccc3)cs2)C(=O)O1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=Branch1][C][=O][O][Ring2][Ring1][=Branch1] | CC1(C)CC6C(=O)O1.c15nc7cs1.c17ccccc1.C6C4=O.N45 |
43242 | Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2O)n1 | [C][C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][O][N][=Ring2][Ring1][Branch1] | c15nc2ccccc2c(=O)n1O.Cc1cc4n5n1.C4C(C)C |
43243 | Cc1ccccc1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2[nH]c(=O)[nH]c2c1.Cc1ccccc13.C34=O |
43244 | CCOC(=O)Cc1nnc(NC(=O)c2ccco2)s1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][=N] | c18nnc6s1.c17ccco1.C3(=O)C8.C47=O.CC5.O35.N46 |
43246 | C=CCc1c(C)nc(Cc2ccccc2)n2cnnc12 | [C][=C][C][C][=C][Branch1][C][C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][P][Ring1][Branch1] | c14c(C)nc3n2cnnc12.c15ccccc1.C=CC4.C35 |
43247 | CC(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=N] | c16ccc(Cl)cc1.c14nnc5s1.CC(C)C3=O.N34.C56 |
43249 | O=C(Nc1nnc(C2CCCCC2)s1)c1cccs1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c14nnc6s1.C16CCCCC1.c15cccs1.O=C35.N34 |
43250 | CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)N(C)C(=O)C1 | [C][C][=N][N][C][=Branch2][Ring1][Branch2][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2] | CC1=Nn2c(nc4c25)N(C)C(=O)C1.c14ccccc1.c15ccccc1 |
43251 | CC(=O)NC1CC(C(C)(C)NC(C)=O)CC=C1C | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][=O][C][C][=C][Ring1][=N][C] | C15CC6CC=C1C.C46(C)C.CC2=O.C3(C)=O.N25.N34 |
43252 | CCCc1nnc(NC(=O)CCC(=O)Nc2cc(C)cc(C)c2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][Branch1] | c16cc(C)cc(C)c1.C3(=O)CCC4=O.c17nnc5s1.CCC7.N35.N46 |
43253 | CCc1nnc(NC(=O)CCC(=O)Nc2cc(C)ccc2C)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][S][Ring2][Ring1][Branch1] | c16cc(C)ccc1C.C3(=O)CCC4=O.c17nnc5s1.CC7.N35.N46 |
43254 | COc1ccc(Cc2nnc(NC(=O)C(C)(C)C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][N][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c16nnc5s1.C3(=O)C(C)(C)C.CO4.C67.N35 |
43256 | COC(=O)CSc1nncn1NC(=O)Nc1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16nncn1NC3=O.c15ccc(Cl)cc1.C2(=O)C4.CO2.S46.N35 |
43258 | COc1ccc(-c2[nH]nc(C)c2-c2csc(C)n2)c(O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring1] | c13ccc4c(O)c1.c14[nH]nc(C)c15.c15csc(C)n1.CO3 |
43259 | Cc1cccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.C3(=O)CCC4=O.c15nnc7s1.C7C(C)C.N36.N45 |
43260 | Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][NH1][Ring2][Ring1][C] | c17nc2ccc5cc2[nH]1.Cn1cccc17.c16ccccc1.C46=O.N45 |
43261 | Cc1cccc2cc3c(NC(=O)C(C)C)nn(C)c3nc12 | [C][C][=C][C][=C][C][=C][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][N][N][=C][Ring2][Ring1][Ring2][Ring1][S] | Cc1cccc2cc3c5nn(C)c3nc12.C4(=O)C(C)C.N45 |
43262 | CCc1cc(C(=O)Cc2nncn2-c2ccccc2)c(O)cc1O | [C][C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][Branch1][O] | c15cc3c(O)cc1O.c14nncn16.c16ccccc1.C3(=O)C4.CC5 |
43263 | CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccco2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][Ring2][Ring1][Ring1] | C3(=O)CCC4=O.c17nnc6s1.c18ccco1.CC7C.N36.N45.C58 |
43264 | CCC(=O)Nc1nn(CC)c2nc3c(C)cccc3cc12 | [C][C][C][=Branch1][C][=O][N][C][=N][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][S][Ring1][O] | c15nn6c2nc3c(C)cccc3cc12.CCC4=O.N45.C6C |
43265 | CCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Ring2][Ring1][C] | C3(=O)CCC4=O.c17nnc5s1.C16CCCC1.CC7.N35.N46 |
43266 | COc1ccc(-c2nc3cc(NC(C)=O)ccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17nc2cc6ccc2[nH]1.c15ccc7cc1.C4(C)=O.CO5.N46 |
43267 | Cn1c(C(C#N)C(=O)c2ccco2)nc2ccccc21 | [C][N][C][Branch1][P][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1c4nc2ccccc21.C4(C#N)C3=O.c13ccco1 |
43268 | Cn1c(=O)n(C)c2c1ccn1cc(C3C4CC5CC(C4)CC3C5)nc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][N][C][=C][Branch2][Ring1][Ring1][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring1][Ring1][#C] | Cn1c(=O)n(C)c2c1ccn1cc6nc21.C16C2CC3CC(C2)CC1C3 |
43269 | CC(=O)Nc1nc(NC(C)=O)n2c(NC(C)=O)nnc2n1 | [C][C][=Branch1][C][=O][N][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][N][=C][Ring1][=Branch2][N][=Ring1][P] | c16nc7n2c8nnc2n1.CC3=O.C4(C)=O.C5(C)=O.N36.N47.N58 |
43270 | COc1cc(C(C)=O)c(O)c(SC)c1SC | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][O][C][Branch1][Ring1][S][C][=C][Ring1][N][S][C] | c12cc3c(O)c4c15.C3(C)=O.CO2.S4C.S5C |
43272 | CCOC(=O)Oc1cc2occ(-c3cscn3)c(=O)c2cc1C | [C][C][O][C][=Branch1][C][=O][O][C][=C][C][O][C][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][=C][Ring1][S][C] | c17cc2occ8c(=O)c2cc1C.c18cscn1.C45=O.CC6.O46.O57 |
43273 | CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][P][N] | c16nnc7n1N.c15ccc(C)cc1.C4C3=O.CCC6.S47.N35 |
43274 | O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc2ccccc12 | [O][=C][Branch1][#C][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.c16n[nH]c(=O)[nH]c1=O.O=C3C4.S46.N35 |
43275 | Cc1cc(C)n2cc(CSc3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][C][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2cc5nc2n1.c16ccccc1.C45.S46 |
43277 | COc1ccc(Nc2nc(=O)[nH]nc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][C][C][=C][Ring1][#C][O][C] | c13ccc6cc14.c15nc(=O)[nH]nc1C.CO3.N56.O4C |
43278 | Cc1n[nH]c(=O)nc1Nc1ccc2ccccc2c1 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2ccccc2c1.Cc1n[nH]c(=O)nc13.N34 |
43279 | CCc1ccc(NC(=O)CSc2nncn2N)cc1 | [C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=C][Ring1][P] | c16ccc5cc1.c17nncn1N.C3(=O)C4.CC6.N35.S47 |
43280 | O=c1ccnc(Nc2ccc(Br)cc2)[nH]1 | [O][=C][C][=C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][=C] | O=c1ccnc3[nH]1.c14ccc(Br)cc1.N34 |
43281 | CCCc1cc(=O)[nH]c(Nc2ccc(C(=O)OC)cc2)n1 | [C][C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c17cc(=O)[nH]c4n1.c15ccc6cc1.CCC7.C36=O.N45.O3C |
43282 | CCCc1cc(=O)[nH]c(N2CCc3ccccc3C2)n1 | [C][C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][P] | N14CCc2ccccc2C1.c15cc(=O)[nH]c4n1.CCC5 |
43283 | Cc1n[nH]c(SCC(=O)N2CCN(c3ccccc3)CC2)nc1=O | [C][C][=N][NH1][C][Branch2][Ring1][=Branch2][S][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Ring2][Ring1][=Branch1][=O] | Cc1n[nH]c7nc1=O.N14CCN6CC1.c16ccccc1.C5C4=O.S57 |
43284 | O=C(CSc1nncc(=O)[nH]1)NC1CCCCCC1 | [O][=C][Branch1][=C][C][S][C][=N][N][=C][C][=Branch1][C][=O][NH1][Ring1][#Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1] | c15nncc(=O)[nH]1.C14CCCCCC1.O=C2C3.S35.N24 |
43285 | Cc1cccc(C)c1NC(=O)CSc1n[nH]c(=O)[nH]c1=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | Cc1cccc(C)c14.c15n[nH]c(=O)[nH]c1=O.C2(=O)C3.N24.S35 |
43286 | O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1c(Cl)cccc1Cl | [O][=C][Branch1][#C][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c15n[nH]c(=O)[nH]c1=O.c14c(Cl)cccc1Cl.O=C2C3.S35.N24 |
43287 | CCc1cccc(CC)c1NC(=O)CSc1n[nH]c(=O)[nH]c1=O | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c15cccc6c14.c17n[nH]c(=O)[nH]c1=O.C2(=O)C3.CC5.C6C.N24.S37 |
43288 | Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(=O)[nH]c1=O | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | Cc1cc(Cl)ccc14.c15n[nH]c(=O)[nH]c1=O.C2(=O)C3.N24.S35 |
43289 | CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1] | c17n[nH]c(=O)[nH]c1=O.c16ccc5cc1.CC6(C)C.C3(=O)C4.N35.S47 |
43290 | CCc1ccc(-n2nnnc2SCC(=O)Nc2nccs2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.n17nnnc18.c15nccs1.C4C3=O.CC6.S48.N35 |
43291 | O=C(CSc1n[nH]c(=O)[nH]c1=O)NCc1ccc(Cl)cc1 | [O][=C][Branch1][#C][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16n[nH]c(=O)[nH]c1=O.c15ccc(Cl)cc1.O=C2C4.S46.N23.C35 |
43292 | COc1cccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][C] | c16n[nH]c(=O)[nH]c1=O.c13cccc5c1.C5(=O)C4.CO3.S46 |
43293 | Cc1ccc(C(=O)Nc2nnc(-c3ccco3)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c15nnc7s1.c17ccco1.C46=O.N45 |
43294 | CCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21 | [C][C][N][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Ring2][Ring1][C] | n16nc5c2cc3cccc(C)c3nc21.C4(C)=O.CC6.N45 |
43296 | COc1cc(Br)c(CCC(=O)NC(C)(C)C)cc1OC | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S][O][C] | c13cc(Br)c6cc14.C6CC2=O.C5(C)(C)C.CO3.N25.O4C |
43297 | COc1cc(Br)c(CCC(=O)NCC(C)C)cc1OC | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][S][O][C] | c13cc(Br)c6cc14.C6CC2=O.C5C(C)C.CO3.N25.O4C |
43298 | CCC(C)NC(=O)CCc1cc(OC)c(OC)cc1Br | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Br] | c16cc3c4cc1Br.C2(=O)CC6.CCC5C.N25.O3C.O4C |
43299 | COc1cc(Br)c(CCC(=O)NC(C)C)cc1OC | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][#C][O][C] | c13cc(Br)c6cc14.C6CC2=O.C5(C)C.CO3.N25.O4C |
43301 | CC(C)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][Branch1][C][C][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] | c17ccc5cc1.c14ccc6cc1.CC7C.C35=O.C6(N)=O.N34 |
43302 | CC(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][=C][Ring1][P] | c17ccc6cc1.c15nnc8s1.CC7C.C46=O.C18CC1.N45 |
43303 | C=CCc1ccccc1OCC(=O)NCC1CCCO1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c17ccccc14.C16CCCO1.C3C2=O.C=CC7.O34.N25.C56 |
43304 | C=CCc1ccccc1OCC(=O)NC1CCCC1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | c16ccccc14.C15CCCC1.C3C2=O.C=CC6.O34.N25 |
43305 | C=CCc1ccccc1OCC(=O)Nc1c(C)cccc1C | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c15c(C)cccc1C.c16ccccc14.C3C2=O.C=CC6.O34.N25 |
43306 | C=CCc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccc15.C4C3=O.C=CC7.O45.N36 |
43307 | C=CCc1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c17ccccc14.c15ccc6cc1.C3C2=O.C=CC7.C6(N)=O.O34.N25 |
43308 | C=CCc1ccccc1OCC(=O)NCc1ccccc1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c17ccccc1.C3C2=O.C=CC6.O34.N25.C57 |
43309 | C=CCc1ccccc1OCC(=O)NCc1ccco1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc14.c16ccco1.C3C2=O.C=CC7.O34.N25.C56 |
43310 | C=CCc1ccccc1OCC(=O)Nc1nccs1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c16ccccc14.c15nccs1.C3C2=O.C=CC6.O34.N25 |
43311 | C=CCc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.c16ccccc14.C3C2=O.C=CC6.O34.N25 |
43312 | C=CCc1ccccc1OCC(=O)Nc1cccc(C(C)=O)c1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c17ccccc14.c15cccc6c1.C3C2=O.C=CC7.C6(C)=O.O34.N25 |
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