ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1936136 | CN(CC(=O)Nc1cccc(O)c1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.c15cccc(O)c1.C3C2=O.CN34.N25 |
1936137 | COc1ccccc1OCCC(=O)Nc1cccc(O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c14ccccc15.c16cccc(O)c1.C3CC2=O.CO4.O35.N26 |
1936138 | Cc1ccc(C)c(OCCC(=O)Nc2cccc(O)c2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c16cccc(O)c1.C4CC3=O.O45.N36 |
1936139 | O=C(CC1Sc2ccccc2NC1=O)Nc1cccc(O)c1 | [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][C][Branch1][C][O][=C][Ring1][#Branch1] | C15Sc2ccccc2NC1=O.c14cccc(O)c1.O=C3C5.N34 |
1936141 | O=C(CCOc1cccc(Br)c1)Nc1cccc(O)c1 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c14cccc(Br)c1.c15cccc(O)c1.O=C2CC3.O34.N25 |
1936142 | O=C(NCCO)c1ccc(COc2ccc3ccccc3c2)o1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring1][P] | c16ccc2ccccc2c1.c18ccc9o1.O=C48.C7CO.N47.C59.O56 |
1936143 | O=C(NCCO)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c16cc(S5(=O)=O)ccc1Cl.N15CCCC1.O=C36.C4CO.N34 |
1936144 | Cc1ccc(-c2nc(C)sc2CC(=O)NCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c16nc(C)sc15.C5C3=O.C4CO.N34 |
1936145 | O=C(CN1CCCCCC1=O)N1CCN(c2ccc(O)cc2)CC1 | [O][=C][Branch1][N][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N15CCCCCC1=O.N13CCN4CC1.c14ccc(O)cc1.O=C3C5 |
1936146 | O=C(CNC(=O)c1cccc(F)c1)NCCc1ccccn1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16cccc(F)c1.c17ccccn1.O=C2C4.C36=O.C5C7.N34.N25 |
1936147 | CC(NC(=O)CNC(=O)c1cccc(F)c1)c1ccncc1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16cccc(F)c1.c17ccncc1.C2(=O)C5.CC47.C36=O.N24.N35 |
1936149 | CN(CC(=O)N1CCC(C(N)=O)CC1)c1ccc2ccccc2c1 | [C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.N13CCC6CC1.C4C3=O.CN45.C6(N)=O |
1936150 | COc1cccc(CN(C)C(=O)CNC(C)c2ccccc2Cl)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=Branch1] | c14cccc8c1.c19ccccc1Cl.C3(=O)C6.N35C.C79C.CO4.C58.N67 |
1936151 | CCN1CCc2nc(NC(=O)C3(c4ccccc4)CC3)sc2C1 | [C][C][N][C][C][C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][S][C][=Ring1][P][C][Ring2][Ring1][Branch1] | N16CCc2nc7sc2C1.c19ccccc1.C189CC1.C58=O.CC6.N57 |
1936152 | O=C(CCCc1cccs1)OCC1CCCCO1 | [O][=C][Branch1][O][C][C][C][C][=C][C][=C][S][Ring1][Branch1][O][C][C][C][C][C][C][O][Ring1][=Branch1] | O=C2CCC5.C14CCCCO1.c15cccs1.O23.C34 |
1936153 | O=C(COc1ccccc1O)NC1CCSc2ccccc21 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N3C1CCSc2ccccc21.c15ccccc1O.O=C3C4.O45 |
1936154 | CCC(C)C(NC(=O)c1cc2c(s1)CCC2)C(N)=O | [C][C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][N][=O] | CCC(C)C4C(N)=O.c15cc2c(s1)CCC2.C35=O.N34 |
1936155 | CCC1CCCCN1C(=O)C1CC1(Cl)Cl | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | C14CCCCN12.C13CC1(Cl)Cl.C23=O.CC4 |
1936156 | CC(C)(CNC(=O)C1CC1(Cl)Cl)N1CCOCC1 | [C][C][Branch1][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][N][C][C][O][C][C][Ring1][=Branch1] | N13CCOCC1.CC3(C)C4.C15CC1(Cl)Cl.C25=O.N24 |
1936157 | COC(=O)c1cc(CN(C)c2ccccc2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][=C][C] | c16cc7oc1C.c15ccccc1.C36=O.N45C.CO3.C47 |
1936158 | COC(=O)c1cc(CSc2ccc(OC)cc2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=Ring1][#C][C] | c16cc7oc1C.c18ccc4cc1.C36=O.CO3.C57.S58.O4C |
1936159 | CCN(CC1COc2ccccc2O1)C(=O)c1ccc(SC)cc1 | [C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | C17COc2ccccc2O1.c16ccc8cc1.N345.C36=O.CC4.C57.S8C |
1936161 | Cc1noc(C)c1CCC(=O)Nc1cccc(O)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | Cc1noc(C)c14.c13cccc(O)c1.C4CC2=O.N23 |
1936162 | CCCc1nnc(NC(=O)COc2ccccc2O)s1 | [C][C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][Ring1][P] | c15ccccc1O.c17nnc6s1.C3(=O)C4.CCC7.N36.O45 |
1936164 | Cc1nc2cc(C(=O)NCCO)ccc2n1-c1ccccc1 | [C][C][=N][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][Ring1][N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2cc5ccc2n16.c16ccccc1.C35=O.C4CO.N34 |
1936165 | Cc1nc2ccccc2c(C)c1CC(=O)NCCO | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][N][C][C][O] | Cc1nc2ccccc2c(C)c15.C5C3=O.C4CO.N34 |
1936166 | Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCO)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][O][O][Ring2][Ring1][=Branch1] | c18nn7cc16.Cc1ccc8o1.c17ccccc1.C46=O.C5CO.N45 |
1936167 | O=C(NCCO)c1cccnc1Sc1ccccc1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccnc15.c16ccccc1.O=C24.C3CO.N23.S56 |
1936168 | Cc1ccc(Sc2ncccc2C(=O)NCCO)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc7cc1C.c16ncccc15.C35=O.C4CO.S67.N34 |
1936169 | Cc1ccc(Sc2ncccc2C(=O)NCCO)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7c(C)c1.c16ncccc15.C35=O.C4CO.S67.N34 |
1936170 | O=C(NCCO)c1ccc(-c2ccc(Cl)cc2)s1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(Cl)cc1.c15ccc6s1.O=C35.C4CO.N34 |
1936171 | O=C(OCC1CN(Cc2ccccc2)CCO1)C1CC1(Cl)Cl | [O][=C][Branch2][Ring1][=Branch1][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | C17CN5CCO1.c18ccccc1.C16CC1(Cl)Cl.O=C36.O34.C47.C58 |
1936173 | Cc1ccsc1CN(C)C(=O)COc1ccccc1O | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc1O.Cc1ccsc16.C2(=O)C3.N25C.C56.O34 |
1936175 | CC(C)NC(=O)CN1CCN(CC(=O)Nc2ccccc2F)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][P] | N16CCN7CC1.c18ccccc1F.C3(=O)C6.C7C4=O.CC5C.N35.N48 |
1936176 | Cn1cc(COC(=O)c2ccccc2Cl)cn1 | [C][N][C][=C][Branch1][S][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring1][S] | c15ccccc1Cl.Cn1cc6cn1.C35=O.C46.O34 |
1936177 | CCCN(CC1CC1)S(=O)(=O)c1cc(C)sc1C | [C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C] | S4(=O)(=O)c1cc(C)sc1C.CCC2.N234.C15CC1.C35 |
1936178 | CN(C(=O)COc1ncnc2ccccc12)C1CCCc2ccccc21 | [C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | CN3C1CCCc2ccccc21.c15ncnc2ccccc12.C3(=O)C4.O45 |
1936179 | O=S(=O)(NCc1nnc2ccccn12)c1ccc2c(c1)CCO2 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | O=S4(=O)c1ccc2c(c1)CCO2.c15nnc2ccccn12.N34.C35 |
1936180 | CNS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][S] | S5(=O)(=O)c1cccc6c1.c17cnn(C)c1.C36=O.CN5.O34.C47 |
1936181 | COc1ccc(Cl)cc1C(=O)OCc1cnn(C)c1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c14ccc(Cl)cc15.c16cnn(C)c1.C25=O.CO4.O23.C36 |
1936182 | CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][S] | S6(=O)(=O)c1cccc7c1.c18cnn(C)c1.CC5C.C37=O.N56.O34.C48 |
1936183 | CC(C)Sc1ccccc1C(=O)OCc1cnn(C)c1 | [C][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c17ccccc15.c16cnn(C)c1.CC4C.C25=O.S47.O23.C36 |
1936184 | Cn1cc(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Cl][C][=N][Ring2][Ring1][Ring2] | c15cc(S(C)(=O)=O)ccc1Cl.Cn1cc6cn1.C35=O.C46.O34 |
1936185 | CNS(=O)(=O)c1cc(C(=O)OCc2cnn(C)c2)cc(C)c1C | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring1][P][C] | S5(=O)(=O)c1cc6cc(C)c1C.c17cnn(C)c1.C36=O.CN5.O34.C47 |
1936186 | O=C(NCCO)C1(c2cccc(F)c2)CCCC1 | [O][=C][Branch1][Branch1][N][C][C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16cccc(F)c1.C156CCCC1.O=C35.C4CO.N34 |
1936188 | O=C(NCCCO)c1cn(-c2ccccc2)nc1-c1cccnc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cn6nc17.c16ccccc1.c17cccnc1.C4CCO.O=C35.N34 |
1936189 | O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCO | [O][=C][Branch2][Ring1][Branch2][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][O] | c15nc2ccccc2n16.c16ccccc1.O=C3CC5.C4CCO.N34 |
1936190 | Cc1nc2cc(C(=O)NCCCO)ccc2n1-c1ccccc1 | [C][C][=N][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][C][=C][Ring1][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2cc5ccc2n16.c16ccccc1.C4CCO.C35=O.N34 |
1936191 | Cc1nc2ccccc2c(C)c1CC(=O)NCCCO | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][O] | Cc1nc2ccccc2c(C)c15.C5C3=O.C4CCO.N34 |
1936192 | O=C(NCCCO)c1ccc(COc2ccc3ccccc3c2)o1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring1][P] | c16ccc2ccccc2c1.c18ccc9o1.C7CCO.O=C48.N47.C59.O56 |
1936193 | Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCO)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][O][O][Ring2][Ring1][#Branch1] | c18nn7cc16.Cc1ccc8o1.c17ccccc1.C5CCO.C46=O.N45 |
1936195 | O=C(NCCCO)c1cccc(S(=O)(=O)N2CCCC2)c1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c16cccc(S5(=O)=O)c1.N15CCCC1.C4CCO.O=C36.N34 |
1936196 | O=C(NCCCO)C1(c2cccc(F)c2)CCCC1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16cccc(F)c1.C156CCCC1.C4CCO.O=C35.N34 |
1936197 | CCN(CCO)C(=O)C1(c2ccc(Cl)cc2)CCCC1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c17ccc(Cl)cc1.C167CCCC1.N345.C5CO.C36=O.CC4 |
1936198 | CCN(CCO)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16cn7nc18.c17ccccc1.c18cccnc1.N345.C5CO.C36=O.CC4 |
1936199 | CCN(CCO)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc2c(c1)nc(C)n27.c17ccccc1.N345.C5CO.C36=O.CC4 |
1936200 | CCN(CCO)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c16cn7nc18.c17ccccc1.c18ccc(C)o1.N345.C5CO.C36=O.CC4 |
1936201 | CCN(CCO)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c17cccc(S6(=O)=O)c1.N16CCCC1.N345.C5CO.C37=O.CC4 |
1936202 | Cc1cc(C)nc(SCC(=O)N2CCCC(O)C2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc5n1.N13CCCC(O)C1.C4C3=O.S45 |
1936203 | CC(O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(Cl)cc1.C156CCCC1.CC(O)C4.C35=O.N34 |
1936204 | CC(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cn6nc17.c16ccccc1.c17cccnc1.CC(O)C4.C35=O.N34 |
1936205 | CC(O)CNC(=O)CCc1nc2ccccc2n1-c1ccccc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2n16.c16ccccc1.C3(=O)CC5.CC(O)C4.N34 |
1936206 | Cc1nc2cc(C(=O)NCC(C)O)ccc2n1-c1ccccc1 | [C][C][=N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][=C][C][=C][Ring1][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2cc5ccc2n16.c16ccccc1.C4C(C)O.C35=O.N34 |
1936207 | Cc1nc2ccccc2c(C)c1CC(=O)NCC(C)O | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O] | Cc1nc2ccccc2c(C)c15.C5C3=O.C4C(C)O.N34 |
1936208 | CC(O)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring1][P] | c16ccc2ccccc2c1.c18ccc9o1.CC(O)C7.C48=O.N47.C59.O56 |
1936209 | Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)O)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][O][Ring2][Ring1][#Branch1] | c18nn7cc16.Cc1ccc8o1.c17ccccc1.C5C(C)O.C46=O.N45 |
1936211 | CC(O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c16cccc(S5(=O)=O)c1.N15CCCC1.CC(O)C4.C36=O.N34 |
1936212 | CC(O)CNC(=O)C1(c2cccc(F)c2)CCCC1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16cccc(F)c1.C156CCCC1.CC(O)C4.C35=O.N34 |
1936213 | CN(Cc1cccnc1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)CS(=O)(=O)c1ccc(Cl)cc1.c14cccnc1.CN23.C34 |
1936214 | CC(=O)N1CCCC1C(=O)Nc1ccccc1N1CCCC1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c14ccccc15.N12CCCC16.N15CCCC1.CC2=O.C36=O.N34 |
1936215 | O=C(COc1ccccc1O)N1CCN(Cc2ccncc2)CC1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | c15ccccc1O.N13CCN6CC1.c17ccncc1.O=C3C4.O45.C67 |
1936217 | O=C(COc1ncnc2sccc12)N1CCCC1c1cccs1 | [O][=C][Branch1][S][C][O][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | c15ncnc2sccc12.N13CCCC16.c16cccs1.O=C3C4.O45 |
1936218 | O=C(NCCO)c1ccc(-c2ccc(F)cc2)s1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(F)cc1.c15ccc6s1.O=C35.C4CO.N34 |
1936219 | O=C(NCCCO)c1ccc(-c2ccc(Cl)cc2)s1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(Cl)cc1.c15ccc6s1.C4CCO.O=C35.N34 |
1936221 | CCN(CCO)C(=O)c1ccc(-c2ccc(F)cc2)s1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c17ccc(F)cc1.c16ccc7s1.N345.C5CO.C36=O.CC4 |
1936223 | CC(=O)NCc1ccc(C(=O)COc2ncnc3sccc23)s1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][S][Ring2][Ring1][C] | c16ncnc2sccc12.c19ccc8s1.C8(=O)C5.CC4=O.N47.C79.O56 |
1936224 | Cn1cc(COC(=O)c2ccc(F)c(F)c2)cn1 | [C][N][C][=C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][Ring1][P] | c15ccc(F)c(F)c1.Cn1cc6cn1.C35=O.C46.O34 |
1936225 | O=C(c1cc(Cl)ccn1)N(Cc1ccco1)Cc1cccs1 | [O][=C][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][S][Ring1][Branch1] | c15cc(Cl)ccn1.c16ccco1.c17cccs1.O=C25.N234.C36.C47 |
1936226 | Cc1ccc(C)n1-c1sccc1C(=O)NC(C)c1ccncc1 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1ccc(C)n16.c16sccc14.c15ccncc1.C24=O.C35C.N23 |
1936227 | O=C(CCNC(=O)c1ccsc1)Nc1cccc(O)c1 | [O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c15cccc(O)c1.O=C2CC4.c16ccsc1.C36=O.N34.N25 |
1936228 | O=C(CCCNC(=O)c1ccsc1)Nc1cccc(O)c1 | [O][=C][Branch1][S][C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c15cccc(O)c1.O=C2CCC4.c16ccsc1.C36=O.N34.N25 |
1936229 | CC(O)CNC(=O)c1ccc(-c2ccc(F)cc2)s1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(F)cc1.c15ccc6s1.CC(O)C4.C35=O.N34 |
1936230 | CC(C)(Oc1ccc(F)cc1)C(=O)N1CCCC(C(N)=O)C1 | [C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2] | c14ccc(F)cc1.N12CCCC5C1.CC3(C)C2=O.C5(N)=O.O34 |
1936231 | O=C(COc1ccccc1O)NCCCN1CCCCCC1=O | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O] | N16CCCCCC1=O.c14ccccc1O.O=C2C3.C5CC6.O34.N25 |
1936232 | CCC(=O)c1ccc(OCC(=O)N2CCC(O)CC2)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc5cc1.N13CCC(O)CC1.CCC6=O.C4C3=O.O45 |
1936233 | Cc1cc(C)c(C#N)c(NCCNC(=O)C2CC2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][C] | Cc1cc(C)c(C#N)c6n1.C4C5.C37=O.C17CC1.N46.N35 |
1936234 | O=C(NCCO)c1ccc(-n2cnc3ccccc32)cc1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C] | n17cnc2ccccc21.c16ccc7cc1.O=C46.C5CO.N45 |
1936235 | O=C(Nc1cccc(O)c1)c1ccc(CN2CCCC2=O)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N] | c14cccc(O)c1.c15ccc7cc1.N16CCCC1=O.O=C35.N34.C67 |
1936236 | Cc1ccc(CNC(=O)CSc2nnc(Cn3cncn3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c1%10nnc8o1.n17cncn1.C4(=O)C6.C59.N45.S6%10.C78 |
1936239 | O=C(Cc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | c15ccc(O)cc1.N13CCN4CC1.c14ccccc1F.O=C3C5 |
1936240 | O=C(Cc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15ccc(O)cc1.N13CCN4CC1.c14ccc(F)cc1.O=C3C5 |
1936241 | O=C(Cc1ccc(O)cc1)N1CCN(c2cccc(Cl)c2)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15ccc(O)cc1.N13CCN4CC1.c14cccc(Cl)c1.O=C3C5 |
1936242 | O=C(Cc1ccc(O)cc1)NCc1cccc(Cl)c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14ccc(O)cc1.c15cccc(Cl)c1.O=C2C4.N23.C35 |
1936243 | COc1ccc(OC)c(CC(=O)NCc2cccc(Cl)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c14ccc5c7c1.c18cccc(Cl)c1.C7C3=O.CO4.O5C.N36.C68 |
1936244 | O=C(Cc1ccc(O)cc1)N1CCN(c2ccccc2Cl)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N] | c15ccc(O)cc1.N13CCN4CC1.c14ccccc1Cl.O=C3C5 |
1936245 | COc1ccc(CNC(=O)Cc2ccc(O)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18ccc(O)cc1.C3(=O)C8.CO4.C67.N36.O5C |
1936246 | COc1ccc(OC)c(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c17ccc2[nH]c(=O)[nH]c2c1.c15ccc6c8c1.C8C4=O.CO5.O6C.N47 |
1936247 | Cc1cccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][S][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc5c1C.N15CCN4CC1.c16ccc(O)cc1.C4(=O)C6 |
1936249 | COc1cccc(CNC(=O)Cc2cc(OC)ccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Branch1] | c19cc5ccc16.c14cccc8c1.C3(=O)C9.CO4.C78.N37.O5C.O6C |
1936250 | COc1cccc(CN(C)C(=O)Cc2ccc(O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c14cccc6c1.c17ccc(O)cc1.C3(=O)C7.N35C.CO4.C56 |
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