ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
32225 | CCOc1ccc2nc(SCC(=O)OC)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][S][C][Ring1][O][=C][Ring1][#C] | c15ccc2nc7sc2c1.C6C3=O.CC4.O45.S67.O3C |
32226 | Cn1nnnc1SCC(=O)c1ccc(Cl)cc1Cl | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c13ccc(Cl)cc1Cl.Cn1nnnc14.C2C3=O.S24 |
32227 | Fc1ccc(Sc2nnnn2-c2ccccc2)cc1 | [F][C][=C][C][=C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Fc1ccc5cc1.c14nnnn13.c13ccccc1.S45 |
32228 | Cn1nnnc1SCc1ccc(Cl)c(Cl)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(Cl)c(Cl)c1.Cn1nnnc14.S24.C23 |
32229 | Cn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c14c(Cl)cccc1Cl.Cn1nnnc15.C3C2=O.S35.N24 |
32230 | CCOC(=O)c1cn2cc(Cl)cc(Cl)c2n1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Ring1][Branch2][=N][Ring1][O] | c15cn2cc(Cl)cc(Cl)c2n1.C35=O.CC4.O34 |
32231 | O=C(Nc1ccc(Cl)cn1)Nc1ccccc1F | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccc(Cl)cn1.c15ccccc1F.O=C23.N24.N35 |
32232 | CC(C)NC(=O)Nc1ccc(Br)cn1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c15ccc(Br)cn1.CC4C.C23=O.N24.N35 |
32233 | CSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1 | [C][S][C][=N][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Ring1] | c16nccc4n1.N14CCN5CC1.c15ccc(F)cc1.CS6 |
32236 | O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccncc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc6c1.c17ccncc1.C6(F)(F)F.O=C23.N35.O24.C47 |
32237 | O=C(CC1Sc2ccccc2NC1=O)Nc1cccnc1 | [O][=C][Branch1][P][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | C15Sc2ccccc2NC1=O.c14cccnc1.O=C3C5.N34 |
32238 | Cn1c(=O)n(CCSc2ccc(Cl)cc2)c(=O)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c(=O)n4c(=O)c2ccccc21.c15ccc(Cl)cc1.C4C3.S35 |
32239 | O=C1CSc2ccccc2N1Cc1ccccc1 | [O][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1CSc2ccccc2N1C3.c13ccccc1 |
32240 | Clc1cccc(Cl)c1COn1nnc2cccnc21 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][O][N][N][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | O3n1nnc2cccnc21.Clc1cccc(Cl)c14.C34 |
32241 | COc1ccc(C(=O)n2c(C)cc(C)c(C#N)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring1] | C4(=O)n1c(C)cc(C)c(C#N)c1=O.c13ccc4cc1.CO3 |
32244 | CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 | [C][C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][O][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][N] | c18sc2c(c19)CCCC2.C35=O.C49=O.CC6.O36.N58.O47.C7C |
32245 | CCOC(=O)c1c(N2CCOC2=O)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][S][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1] | c15c6sc2c1CCCC2.N16CCOC1=O.C35=O.CC4.O34 |
32246 | Cn1c(NCC(=O)c2ccc(Cl)cc2Cl)cc(=O)n(C)c1=O | [C][N][C][Branch2][Ring1][Ring1][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c4cc(=O)n(C)c1=O.c15ccc(Cl)cc1Cl.C3C5=O.N34 |
32247 | CCCc1cc(=O)n(C)c(CC(=O)c2ccc(Cl)cc2)n1 | [C][C][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | c14cc(=O)n(C)c5n1.c13ccc(Cl)cc1.C5C3=O.CCC4 |
32248 | Cn1c(Oc2ccc(F)c(Cl)c2)cc(=O)n(C)c1=O | [C][N][C][Branch1][S][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c3cc(=O)n(C)c1=O.c14ccc(F)c(Cl)c1.O34 |
32250 | COC(=O)c1ccccc1NC(=O)CSc1nncn1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C] | c16ccccc15.c17nncn1C.C3(=O)C4.C26=O.CO2.N35.S47 |
32254 | CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][P] | c16ccc8cc1.c17ccccc15.CCCC3=O.C48=O.N36.N47.O5C |
32255 | CCCC(=O)Nc1ccc(C(=O)NCc2ccccc2OC)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c19ccccc15.CCCC3=O.C48=O.N37.N46.C69.O5C |
32256 | COCc1nnc(NC(=O)CSc2ccc(C)cc2)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][P] | c18ccc(C)cc1.c17nnc6s1.C3(=O)C5.CO4.C47.N36.S58 |
32257 | COc1ccc(CNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.c18ccc7cc1.C4(=O)C(C)C.C38=O.CO5.C69.N36.N47 |
32258 | COc1cccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | c15cccc6c1.c18ccc7cc1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
32259 | CCOc1ccc(NC(=O)C2CC(=O)n3cnnc3N2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C18CC(=O)n2cnnc2N1.c16ccc7cc1.C48=O.CC5.O56.N47 |
32260 | O=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)n2ncnc2N1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][#Branch2] | C15CC(=O)n2ncnc2N1.c14ccc(F)c(Cl)c1.O=C35.N34 |
32261 | Cc1cc(C)cc(NC(=O)C2CC(=O)n3c(nc4ccccc43)N2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring1][=C][=C][Ring2][Ring1][Branch2] | C17CC(=O)n2c(nc3ccccc32)N1.Cc1cc6cc(C)c1.C57=O.N56 |
32262 | NS(=O)(=O)c1cnccc1Oc1cccc(Cl)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | NS(=O)(=O)c1cnccc12.c13cccc(Cl)c1.O23 |
32263 | CCS(=O)(=O)c1cccnc1S(=O)(=O)CC | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C] | CCS(=O)(=O)c1cccnc1S(=O)(=O)CC |
32264 | COC(=O)c1sccc1NC(=O)CSc1nncn1C | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C] | c16sccc15.c17nncn1C.C3(=O)C4.C26=O.CO2.N35.S47 |
32265 | COC(=O)c1ccccc1SCC(=O)Nc1onc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C] | c16ccccc17.c15onc(C)c1C.C4C3=O.C26=O.CO2.S47.N35 |
32266 | COC(=O)c1ccccc1SCC(=O)Nc1nccs1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c16ccccc17.c15nccs1.C4C3=O.C26=O.CO2.S47.N35 |
32268 | Cc1c(C(=O)NCc2ccccc2)c2ccccc2n1O | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][O] | Cc1c5c2ccccc2n1O.c16ccccc1.C35=O.N34.C46 |
32269 | O=c1[nH]c2ccccc2n2c(-c3ccco3)nnc12 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring2][Ring1][C][Ring1][#Branch2] | O=c1[nH]c2ccccc2n2c4nnc12.c14ccco1 |
32270 | Nc1nc(=O)[nH]cc1-c1ccc(-c2ccccc2)s1 | [N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O] | Nc1nc(=O)[nH]cc13.c13ccc4s1.c14ccccc1 |
32271 | Cc1sc(C)c(-c2ccncn2)c1Br | [C][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=Ring1][N][Br] | Cc1sc(C)c3c1Br.c13ccncn1 |
32272 | CSc1cscc1S(=O)(=O)c1ccccc1 | [C][S][C][=C][S][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12cscc1S(=O)(=O)c1ccccc1.CS2 |
32273 | O=C(Cc1cccs1)c1c(O)cc(O)cc1O | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O] | c12c(O)cc(O)cc1O.c13cccs1.O=C2C3 |
32274 | Cc1nc2sccc2c(=O)n1-c1ccccc1Cl | [C][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1nc2sccc2c(=O)n13.c13ccccc1Cl |
32275 | Cc1nc2ccsc2c(=O)n1-c1ccccc1Cl | [C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1nc2ccsc2c(=O)n13.c13ccccc1Cl |
32277 | Cc1ccccc1-n1c(C)nc2sccc2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][=O] | n13c(C)nc2sccc2c1=O.Cc1ccccc13 |
32278 | Cc1ccc(-n2c(C)nc3sccc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P] | n14c(C)nc2sccc2c1=O.Cc1ccc4cc1 |
32279 | Cc1ccccc1-n1c(C)nc2ccsc2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O] | n13c(C)nc2ccsc2c1=O.Cc1ccccc13 |
32280 | Cc1cccc(-n2c(C)nc3ccsc3c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][Branch1][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][=C][Ring1][P] | n14c(C)nc2ccsc2c1=O.Cc1cccc4c1 |
32281 | Cc1ccc(-n2c(C)nc3ccsc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P] | n14c(C)nc2ccsc2c1=O.Cc1ccc4cc1 |
32283 | CCOC(=O)c1c(C)oc(C)c1-c1c(C)oc(C)c1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C] | c16c(C)oc(C)c18.c18c(C)oc(C)c17.C26=O.C37=O.CC4.O24.O35.C5C |
32284 | Cc1cccc(-n2c(C)nc3sccc3c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][Branch1][C][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][=C][Ring1][P] | n14c(C)nc2sccc2c1=O.Cc1cccc4c1 |
32285 | O=c1[nH]cc(-c2csc3sccc23)c(=O)[nH]1 | [O][=C][NH1][C][=C][Branch1][=N][C][=C][S][C][S][C][=C][C][Ring1][Branch2][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#C] | O=c1[nH]cc4c(=O)[nH]1.c14csc2sccc12 |
32286 | O=c1[nH]cc(-c2csc3ccsc23)c(=O)[nH]1 | [O][=C][NH1][C][=C][Branch1][=N][C][=C][S][C][C][=C][S][C][Ring1][Branch2][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#C] | O=c1[nH]cc4c(=O)[nH]1.c14csc2ccsc12 |
32287 | O=c1[nH]cc(-c2cc3sccc3s2)c(=O)[nH]1 | [O][=C][NH1][C][=C][Branch1][=N][C][=C][C][S][C][=C][C][=Ring1][Branch1][S][Ring1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#C] | O=c1[nH]cc4c(=O)[nH]1.c14cc2sccc2s1 |
32288 | Cn1c(=O)c(C#N)cn(Cc2ccc(Cl)c(Cl)c2)c1=O | [C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C][=O] | Cn1c(=O)c(C#N)cn3c1=O.c14ccc(Cl)c(Cl)c1.C34 |
32289 | CCOC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O | [C][C][O][C][Branch1][C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][N][=O] | C1=4N=C(c2ccc(Cl)cc2)OC1=O.O3C=4C.CC3 |
32290 | COc1ccc(C(O)C2OC(=O)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | C5(O)C1OC(=O)c2ccccc21.c14ccc5cc1.CO4 |
32291 | CC(=O)Nc1ccc(-n2cc(C(C)=O)c(=O)[nH]c2=O)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][#Branch2][=O][C][=C][Ring1][P] | n16cc5c(=O)[nH]c1=O.c14ccc6cc1.CC3=O.C5(C)=O.N34 |
32292 | COc1cccc(C(O)C2OC(=O)c3ccccc32)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][C][O][C] | C6(O)C1OC(=O)c2ccccc21.c14cccc6c15.CO4.O5C |
32293 | CCOC(=O)c1ncn2c1[nH]c(=O)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | c15ncn2c1[nH]c(=O)c1ccccc12.C35=O.CC4.O34 |
32294 | C=CCN1C(=O)NC2c3cccc(OCC)c3OC1(C)C2C(=O)OC | [C][=C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2][O][C][Ring1][S][Branch1][C][C][C][Ring1][=C][C][=Branch1][C][=O][O][C] | N18C(=O)NC2c3cccc6c3OC1(C)C27.C=CC8.C47=O.O56.C5C.O4C |
32296 | O=C1CC(c2cccs2)Sc2ccccc2N1 | [O][=C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S] | O=C1CC3Sc2ccccc2N1.c13cccs1 |
32297 | Nc1cnccc1Oc1cccc(C(F)(F)F)c1 | [N][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Nc1cnccc12.c13cccc4c1.C4(F)(F)F.O23 |
32298 | CNS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=C][Ring1][P] | S3(=O)(=O)c1ccc4nc1.c15cccc6c1.C6(F)(F)F.CN3.N45 |
32299 | CCn1c(-c2ccccc2)nc2ncccc2c1=O | [C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n13c4nc2ncccc2c1=O.c14ccccc1.CC3 |
32300 | CCOC(=O)c1cc(NC(=O)c2cccnc2)ccn1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=N][Ring1][#C] | c17cc6ccn1.c18cccnc1.C37=O.C48=O.CC5.O35.N46 |
32301 | NC(=O)c1cccnc1Nc1ccc(Cl)c(C(F)(F)F)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | c13ccc(Cl)c5c1.c14cccnc12.C5(F)(F)F.NC4=O.N23 |
32302 | CCOC(=O)c1ccc(Nc2ncccc2C(N)=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][S] | c17ccc6cc1.c15ncccc18.C37=O.C8(N)=O.CC4.O34.N56 |
32304 | O=c1ncn(-c2cccc(Cl)c2)c2ccccc12 | [O][=C][N][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | O=c1ncn3c2ccccc12.c13cccc(Cl)c1 |
32305 | CCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c16cccnc14.c15cccc7c1.C7(F)(F)F.C26=O.CC3.N23.N45 |
32306 | NS(=O)(=O)c1cnccc1SCc1ccccc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | NS(=O)(=O)c1cnccc14.c13ccccc1.S24.C23 |
32307 | NS(=O)(=O)c1ccc(SCc2ccccc2)nc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C] | NS(=O)(=O)c1ccc5nc1.c14ccccc1.S35.C34 |
32309 | NS(=O)(=O)c1cnccc1Sc1cccc(Cl)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | NS(=O)(=O)c1cnccc12.c13cccc(Cl)c1.S23 |
32311 | Nc1cnccc1Sc1cccc(C(F)(F)F)c1 | [N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Nc1cnccc13.c14cccc2c1.C2(F)(F)F.S34 |
32312 | Nc1cccnc1S(=O)(=O)c1cccc(C(F)(F)F)c1 | [N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Nc1cccnc1S(=O)(=O)c1cccc2c1.C2(F)(F)F |
32313 | NS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=C][Ring1][P] | NS(=O)(=O)c1ccc3nc1.c14cccc5c1.C5(F)(F)F.N34 |
32314 | NS(=O)(=O)c1cccnc1Nc1cccc(Cl)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | NS(=O)(=O)c1cccnc12.c13cccc(Cl)c1.N23 |
32315 | Cc1cccc(Sc2ccncc2S(N)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][P] | c14ccncc1S(N)(=O)=O.Cc1cccc3c1.S34 |
32316 | NS(=O)(=O)c1cnccc1Sc1c(Cl)cccc1Cl | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | NS(=O)(=O)c1cnccc12.c13c(Cl)cccc1Cl.S23 |
32317 | CCOC(=O)c1cccnc1NC(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc15.c17ccccc1.C26=O.C37=O.CC4.O24.N35 |
32318 | COC(=O)c1cccc(SCC(=O)c2ccccc2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S] | c15cccc7n1.c16ccccc1.C4C6=O.C35=O.CO3.S47 |
32319 | CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c15cccnc13.c14cccc6c1.C6(F)(F)F.C25=O.CN2.N34 |
32320 | COC(=O)c1ccnc(SCC(=O)c2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] | c15ccnc7c1.c16ccccc1.C4C6=O.C35=O.CO3.S47 |
32321 | COC(=O)c1cccnc1SCc1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccnc16.c15ccccc1.C24=O.CO2.S36.C35 |
32323 | COC1CCCCC(=O)N1S(=O)(=O)c1ccc(C)cc1 | [C][O][C][C][C][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C12CCCCC(=O)N1S(=O)(=O)c1ccc(C)cc1.CO2 |
32326 | COc1cc2oc(=O)cc(C)c2c(OC)c1OC(C)=O | [C][O][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring1][=C][O][C][Branch1][C][C][=O] | c14cc2oc(=O)cc(C)c2c5c16.C3(C)=O.CO4.O5C.O36 |
32327 | COc1c(C)oc2c3c(cc(OC)c2c1=O)OC(C)C3 | [C][O][C][=C][Branch1][C][C][O][C][=C][C][=Branch1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O][O][C][Branch1][C][C][C][Ring1][=N] | c14c(C)oc2c3c(cc5c2c1=O)OC(C)C3.CO4.O5C |
32328 | CC(=O)Oc1ccc(C(=O)Cc2ccccc2)c(OC(C)=O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1] | c15ccc7c6c1.c18ccccc1.C7(=O)C8.CC3=O.C4(C)=O.O35.O46 |
32329 | COc1ccc(C(=O)CCc2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c17ccc4c5c1.c13ccc6cc1.C6(=O)CC7.CO3.O4C.O5C |
32330 | COc1cc(OC(C)=O)cc(OC)c1OC(C)=O | [C][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][Branch1][C][C][=O] | c14cc5cc6c17.C2(C)=O.C3(C)=O.CO4.O25.O6C.O37 |
32331 | COc1ccc(CC2(CO)COc3ccccc3C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][Ring1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2] | C156COc2ccccc2C1=O.c14ccc7cc1.CO4.C57.C6O |
32332 | CC(=O)Oc1ccc(OC(C)=O)c(C(=O)Nc2ccc(C)cc2)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c16ccc7c9c1.c18ccc(C)cc1.CC3=O.C4(C)=O.C59=O.O36.O47.N58 |
32333 | Cc1ccc(Sc2nnnn2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c14nnnn13.c13ccccc1.S45 |
32334 | CC(=O)Oc1ccc(OC(C)=O)c2sc(=O)sc12 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][S][C][=Branch1][C][=O][S][C][Ring1][=C][=Ring1][=Branch1] | c15ccc6c2sc(=O)sc12.CC3=O.C4(C)=O.O35.O46 |
32335 | CSc1nc(C)c(-c2ccncc2)c(-c2cccnc2)c1C#N | [C][S][C][=N][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C][#N] | c13nc(C)c4c5c1C#N.c14ccncc1.c15cccnc1.CS3 |
32336 | COC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccncc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)NC2=C(C(=O)OC2)C14.c14ccncc1.CO3 |
32338 | N#Cc1nn(-c2ccc3ccccc3c2)c(C#N)c1N | [N][#C][C][=N][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][Ring1][C][#N][=C][Ring1][P][N] | N#Cc1nn4c(C#N)c1N.c14ccc2ccccc2c1 |
32339 | CCOC(=O)COc1ccc(C)cc1-c1ccno1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1] | c15ccc(C)cc16.c16ccno1.C2(=O)C4.CC3.O23.O45 |
32340 | CCn1cc(C(=O)OC)c(C(=O)OC)c1C(=O)OC | [C][C][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C] | n18cc6c7c15.C26=O.C37=O.C45=O.CC8.O2C.O3C.O4C |
32342 | COC(=O)c1cc(C)nc(-c2ccccc2)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=Branch1][C][=O][O][C] | c15cc(C)nc7c16.c17ccccc1.C35=O.C46=O.CO3.O4C |
32344 | CC(C)(C)OC(=O)Nc1ccncc1C(=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccncc16.c17ccccc1.CC4(C)C.C23=O.C67=O.O24.N35 |
32345 | Nn1nc(-c2ccccc2)c2cc3ccccc3cc2c1=O | [N][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=O] | Nn1nc4c2cc3ccccc3cc2c1=O.c14ccccc1 |
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