ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
42198 | O=C1CC(c2c(F)cccc2Cl)c2cc3c(cc2N1)OCCO3 | [O][=C][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][O][C][C][O][Ring1][=Branch2] | O=C1CC(c2c(F)cccc2Cl)c2cc3c(cc2N1)OCCO3 |
42199 | CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1N | [C][C][C][C][=N][C][=C][Branch2][Ring1][#Branch2][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][N] | c15nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1N.CCC5 |
42200 | CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc2c(c1)OCO2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.CS5(=O)=O.C4C3=O.N456.C17CC1.N37 |
42201 | Cc1cc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)ccc1F | [C][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][=C][C][=C][Ring2][Ring1][Ring2][F] | Cc1cc(S4(=O)=O)ccc1F.c15ccc2c(c1)COC2=O.N45 |
42203 | CSc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16ccc(S4(=O)=O)cc1.c15ccc(C)cc1.CS6.N34.C35 |
42204 | O=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15cnn2cccnc12.O=C35.N34 |
42205 | Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2O)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][S][Ring2][Ring1][C] | c15ccc(Cl)cc1O.Cc1nnc6s1.C4C3=O.S46.N35 |
42206 | COc1cccc(C2CC(=O)Nc3c2ccc(C)c3C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14cccc(C2CC(=O)Nc3c2ccc(C)c3C)c15.CO4.O5C |
42207 | CS(=O)(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16cccnc1.CS4(=O)=O.C37=O.N45.N36 |
42208 | CSc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | c17ccccc14.c16ccc5cc1.S3(C)(=O)=O.C26=O.CS7.N24.N35 |
42209 | COC(=O)c1cc(C(=O)OC)n(Cc2ccc(F)cc2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][P] | c15cc6n7n1.c18ccc(F)cc1.C35=O.C46=O.CO3.O4C.C78 |
42210 | O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c15ccc(Cl)cc1.c14nc5no1.O=C3CC4.N13CCCC1 |
42211 | O=C1CCSc2nc(-c3ccc(Cl)cc3)nn21 | [O][=C][C][C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][Ring1][S] | O=C1CCSc2nc4nn21.c14ccc(Cl)cc1 |
42212 | CC12CCC(C(=O)NC3CCCC3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][Branch1][=Branch1][C][C][Ring1][=C][=O][C][Ring1][S][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.C15CCCC1.C46=O.N45 |
42213 | COCc1nnc(NC(=O)CCSc2ccccc2)s1 | [C][O][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | c17nnc6s1.c18ccccc1.C3(=O)CC5.CO4.C47.N36.S58 |
42214 | CS(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc6cc1.N13CCCCCC1.CS4(=O)=O.C36=O.N45 |
42215 | COC(=O)c1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c16ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1.C56=O.CO5 |
42217 | NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14ccc(S5(=O)=O)cc1.N15CCOCC1.NC(=O)C3.O34 |
42219 | CS(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc7cc1.c18ccco1.CS5(=O)=O.C37=O.N56.N34.C48 |
42220 | COC(=O)c1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2] | c17ccccc15.C16CCCN4C1.S4(C)(=O)=O.C27=O.C36=O.CO2.N35 |
42221 | O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccn1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(Cl)cc1.c14ccccn1.O=S3(=O)C5.N23.C24 |
42223 | Cc1cc(C)cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Branch2] | Cc1cc6cc(C)c1.c18nc9no1.c19ccccc1.C5C4=O.O56.N47.C78 |
42225 | O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CN1C(=O)COc2ccc(Cl)cc21.c15ccccc1.N34.C45 |
42227 | O=C1Cn2c(nc3ccccc32)N1c1ccccc1F | [O][=C][C][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C1Cn2c(nc3ccccc32)N1c1ccccc1F |
42228 | COc1ccc(-n2c(N)c(Br)c(=O)[nH]c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][N][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][Ring1][=Branch2][=O][C][=C][Ring1][S] | n14c(N)c(Br)c(=O)[nH]c1=O.c13ccc4cc1.CO3 |
42229 | CC(=O)NCCc1nc2cc(NC(C)=O)ccc2n1C | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][N][Ring1][=N][C] | c17nc2cc6ccc2n1C.CC3=O.C5C7.C4(C)=O.N35.N46 |
42231 | COC(=O)C(C)(C)NC(=O)Nc1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccc(Cl)cc1.C2(=O)C5(C)C.C34=O.CO2.N35.N46 |
42232 | COc1cc(NC(=O)COC(C)=O)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c15cc8cc6c17.C3(=O)C4.C2(C)=O.CO5.N38.O24.O6C.O7C |
42234 | CC(C)(C)NS(=O)(=O)Cc1ccc(Cl)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.S3(=O)(=O)C4.CC2(C)C.N23 |
42235 | NC(=O)c1c(NC(=O)c2cnn3cccnc23)sc2c1CCCC2 | [N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][S][C][=C][Ring1][P][C][C][C][C][Ring1][=Branch1] | c16c5sc2c1CCCC2.c17cnn2cccnc12.NC6=O.C47=O.N45 |
42236 | CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccc6cc1.c17ccc(F)cc1.C3(=O)C7.CC4.N45.N36 |
42238 | CC12CCC(C(=O)NCc3ccc(F)cc3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][=Branch1][C][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.c17ccc(F)cc1.C46=O.N45.C57 |
42239 | COc1ccc(OC)c(NC(=O)CNc2cccc(C)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c14ccc5c7c1.c18cccc(C)c1.C3(=O)C6.CO4.O5C.N37.N68 |
42240 | O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCC1CCCO1 | [O][=C][Branch2][Ring1][#Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][C][C][C][C][C][O][Ring1][Branch1] | c17ccc(Cl)cc1.c16nc7no1.O=C3CC6.C15CCCO1.N34.C45 |
42241 | COc1ccc(NC(=O)OCC(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C] | c15ccc7cc16.C4C(C)C.C23=O.CO5.N37.O24.O6C |
42242 | Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2nc7nc2n1.c16ccccc1.C5C4=O.S57.N46 |
42243 | O=C(Nc1cc(F)ccc1F)c1ccc2nccnc2c1 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14cc(F)ccc1F.O=C35.N34 |
42244 | CC(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][Ring2][Ring1][C][C] | c19nc2cc7ccc2n1C.c18ccccc1.CC4=O.C6C9.C58=O.N46.N57 |
42245 | COc1cc(CO)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1 | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c13cc6ccc14.c17ccc5cc1.c12nnnn17.C5(N)=O.CO3.C6O.O24 |
42246 | Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21 | [C][N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1c6nc2ccccc21.N14CCc2ccccc2C1.C5C4=O.S56 |
42247 | COc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][#Branch1] | c15cc6cc8c1.c19nc%10no1.c1%10ccccc1.C48=O.CO5.O6C.N47.C79 |
42248 | CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(O)c2)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring1][S] | c17cccc6c1.c18cccc(O)c1.CC5(C)C.C37=O.C48=O.N35.N46 |
42251 | O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Cl)cc1.c14nc5no1.N13CCOCC1.O=C3CC4 |
42252 | O=C1CC(c2ccccc2)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][S][O][C][O][Ring1][Branch2] | O=C1CC(c2ccccc2)c2cc3c(cc2N1)OCO3 |
42253 | CN(C)C(=O)COc1cc(Cl)c(Cl)cc1Cl | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] | c14cc(Cl)c(Cl)cc1Cl.C2(=O)C3.CN2C.O34 |
42254 | O=C(CS(=O)(=O)c1ccccc1)N=c1[nH]c2ccccc2s1 | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | O=C(CS(=O)(=O)c1ccccc1)N=c1[nH]c2ccccc2s1 |
42256 | Cc1nc2nc(-c3ccccc3)nn2c(C)c1Cl | [C][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Branch1][C][C][=C][Ring1][S][Cl] | Cc1nc2nc4nn2c(C)c1Cl.c14ccccc1 |
42257 | COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C] | c14ccc(S6(=O)=O)cc1C.N13CCOCC1.C5C3=O.N56C.CO4 |
42258 | Nc1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 | [N][C][N][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#C][N][=Ring2][Ring1][C] | Nc1nc2nc5cc4n2n1.c15cccs1.C4(F)(F)F |
42259 | CCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][=Branch2][=O][C][=C][Ring1][S] | c15ccc7cc1.N17CC6CC1=O.C36=O.CC4.O45.O3C |
42260 | O=C(NCc1cccnc1)c1cccnc1-c1nc2ccccc2s1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17nc2ccccc2s1.c15cccnc17.c16cccnc1.O=C35.N34.C46 |
42261 | Cc1ccccc1-c1nnn(CC(=O)NC2CCCC2)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=Ring1][=C] | Cc1ccccc16.c16nnn5n1.C14CCCC1.C5C3=O.N34 |
42262 | Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccco1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1c5cccc1Cl.c16ccco1.C2(=O)C4.C36=O.N25.N34 |
42263 | COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C][C] | c14ccc(S6(=O)=O)cc1C.C5C3=O.N56C.C17CC1.CO4.N37 |
42264 | COc1ccccc1NC(=O)c1ccc(F)cc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C] | c15ccc(F)cc1C.c13ccccc14.C25=O.CO3.N24 |
42265 | CC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C][O][Ring1][P] | c14cc2c(cc15)OCCO2.c16ccc(C)cc1.CC3=O.C56=O.N34 |
42266 | Cc1cccc(CN(c2ccccc2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][C] | Cc1cccc6c1.c15ccccc1.S4(C)(=O)=O.N345.C36 |
42267 | CC(=O)Nc1ccc2c(c1)nc1n2CCN(c2ccccc2)C1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c14ccc2c(c1)nc1n2CCN5C1.c15ccccc1.CC3=O.N34 |
42268 | CCOC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | N14CCN6CC1.c16nnnn17.c17ccccc1.C34=O.CC5.O35 |
42269 | Cc1cc(C)n2nc(CCc3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2nc4nc2n1.c15ccccc1.C4C5 |
42270 | Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | Cc1ccc(Cl)cc14.c16ccc5cc1.S3(C)(=O)=O.C26=O.N24.N35 |
42271 | CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 | [C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(N)cc1.CC(C)C2.C3C(C)C.N234 |
42272 | COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13ccccc16.n16nnnc17.c15ccccn1.C4C2=O.CO3.S47.N25 |
42274 | COc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | c13ccccc18.c17ccc6cc1.S5(C)(=O)=O.C27=O.CO3.C48.N24.N56 |
42275 | Cc1cc(C)n2nc(SCC(=O)c3cccs3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2nc6nc2n1.c15cccs1.C4C5=O.S46 |
42276 | CSc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c15ccc(S3(=O)=O)cc1.c14ccc(F)c(F)c1.CS5.N34 |
42277 | CCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch2] | c14cc(Cl)ccc15.N15CCN3CC1.CCCC2=O.C3(=O)CC.N24 |
42278 | CCn1cnc2cc(NCc3nc4ccccc4n3C)ccc21 | [C][C][N][C][=N][C][=C][C][Branch1][P][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n17cnc2cc6ccc21.c18nc2ccccc2n1C.CC7.N56.C58 |
42279 | Cc1ccn(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)n1 | [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][N][=Ring2][Ring1][Ring2] | c14cc2cc(Cl)cc(Cl)c2oc1=O.Cc1ccn(C4=O)n1 |
42280 | Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | Cc1cc(Cl)ccc14.c16ccc5cc1.S3(C)(=O)=O.C26=O.N24.N35 |
42282 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c15ccc2c(c1)n(C)c(=O)n2C.Cc1ccc(S4(=O)=O)c(C)c1.N45 |
42283 | CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc7cc1.c18cccnc1.CS5(=O)=O.C37=O.N56.N34.C48 |
42284 | COC(=O)c1cn(CC(=O)NC2CC2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c16cn7c2ccccc12.C7C4=O.C36=O.C15CC1.CO3.N45 |
42285 | O=C(NCc1cccs1)c1cnn2cccnc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1] | c15cnn2cccnc12.c16cccs1.O=C35.N34.C46 |
42286 | Cc1ccc(S(=O)(=O)n2nc(C)cc2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S] | Cc1ccc(S(=O)(=O)n2nc(C)cc2N)cc1 |
42287 | CN1C(=O)C2(OCC(COc3ccc(Cl)cc3)O2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][O][C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | CN1C(=O)C2(OCC6O2)c2ccccc21.c15ccc(Cl)cc1.C46.O45 |
42288 | Cc1nnc(SCC(=O)Nc2ccc(Cl)c(C)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][C] | c15ccc(Cl)c(C)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
42289 | CC(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][#C] | c16nnc2n1CC(C)S2.c15cccc6c1.CC4=O.N45 |
42290 | COc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c16nn2c8nnc2s1.c15ccc7cc1.c18ccncc1.CO5.C67 |
42291 | O=C(Nc1ccncc1)c1cc(F)c(F)cc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c14cc(F)c(F)cc1Cl.c13ccncc1.O=C24.N23 |
42292 | CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] | CN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc2ccccc2c1O |
42293 | CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)c(C)cc21 | [C][C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][C][C][=C][Ring1][O][Ring1][P] | n13c(=O)n4c2cc(S(N)(=O)=O)c(C)cc21.CC3.C4C |
42294 | CC(=O)c1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c17cccc5c1.C16CCCN4C1.S4(C)(=O)=O.CC7=O.C36=O.N35 |
42295 | NC(=O)c1ccc(-n2nnnc2Oc2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][N][=N][N][=C][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.n16nnnc13.c14ccccc1.NC5=O.O34 |
42297 | Cc1cc(OCC(=O)Nc2nccs2)c(C)cc1Br | [C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][C][C][C][=C][Ring1][P][Br] | Cc1cc5c(C)cc1Br.c16nccs1.C4C3=O.O45.N36 |
42298 | COc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][Cl] | c15ccc7cc1Cl.c18ccccc1.C3(=O)C6.C48=O.CO5.N37.N46 |
42301 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccsc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][C][=C][S][C][=Ring1][Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccsc1.CO3 |
42303 | CC1(C)CC(=O)c2cc(NC(=O)c3ccc(F)cc3)c(=O)oc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Ring1][P][C][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)c2cc5c(=O)oc2C1.c16ccc(F)cc1.C46=O.N45 |
42304 | Cc1ccccc1OC(C)C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.Cc1ccccc15.C4(C)C3=O.O45.N36 |
42307 | O=S(=O)(c1ccccc1)N1CCC(O)C2CCCCC21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][O] | N13CCC(O)C2CCCCC21.O=S3(=O)c1ccccc1 |
42308 | O=C(c1ccccc1CCc1ccccc1)N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c13ccccc14.c15ccccc1.N12CCCC1.O=C23.C4C5 |
42310 | CC(C)(C)NC(=O)c1ccc(NC(=O)C2CCCO2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.C17CCCO1.CC5(C)C.C38=O.C47=O.N35.N46 |
42312 | Cc1cc(OCC(=O)Nc2ccncc2)c(C)cc1Br | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=C][Ring2][Ring1][C][Br] | Cc1cc5c(C)cc1Br.c16ccncc1.C4C3=O.O45.N36 |
42314 | Cc1cc(OCC(=O)NCc2ccco2)c(C)cc1Br | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][C][C][C][=C][Ring2][Ring1][C][Br] | Cc1cc5c(C)cc1Br.c17ccco1.C4C3=O.O45.N36.C67 |
42315 | COc1cccc(NC(=O)CNC(=O)c2cccs2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | c15cccc7c1.c18cccs1.C3(=O)C6.C48=O.CO5.N37.N46 |
42316 | Cc1cc(OCC(N)=O)c(C)cc1Br | [C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=C][Ring1][N][Br] | Cc1cc3c(C)cc1Br.C2C(N)=O.O23 |
42317 | Cc1cccc(NC(=O)C(C)Oc2ccccc2C)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | Cc1cccc6n1.c15ccccc1C.C3(=O)C4C.N36.O45 |
42318 | COc1ccccc1NC(=O)C1C(=O)CN(c2ccccc2)C1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | C16C(=O)CN7C1=O.c14ccccc15.c17ccccc1.C36=O.CO4.N35 |
42319 | Cc1ccc(NC(=O)C2C(=O)CN(c3ccccc3)C2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc5cc1C.C16C(=O)CN7C1=O.c17ccccc1.C46=O.N45 |
42320 | O=C1CN(c2ccccc2)C(=O)C1C(=O)NCc1ccco1 | [O][=C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | O=C1CN7C(=O)C15.c17ccccc1.c16ccco1.C35=O.N34.C46 |
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