ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
41710 | CS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][S] | c15c(F)cccc1F.N14CCN3CC1.CS4(=O)=O.C35=O |
41711 | CCOC(=O)c1cc(C)sc1NC(=O)c1cccc(F)c1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cc(C)sc15.c17cccc(F)c1.C26=O.C37=O.CC4.O24.N35 |
41713 | CCCc1cc(C(=O)OC)c(NC(=O)C2CCC2)s1 | [C][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][S][Ring1][S] | c18cc7c5s1.C16CCC1.CCC8.C37=O.C46=O.O3C.N45 |
41714 | CCOc1cccc2cc(C(=O)NC3CCCC3)c(=O)oc12 | [C][C][O][C][=C][C][=C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring1][=Ring1][#C] | c16cccc2cc8c(=O)oc12.C17CCCC1.C48=O.CC5.O56.N47 |
41715 | CCOc1ccc2ccccc2c1C(=O)Nc1ccncc1 | [C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc2ccccc2c17.c16ccncc1.C37=O.CC4.O45.N36 |
41717 | CCOC(=O)Cc1csc(NC(=O)c2cccnc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][=C] | c18csc6n1.c17cccnc1.C3(=O)C8.C47=O.CC5.O35.N46 |
41719 | COC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C | [C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Ring1][=C][C] | c15c(C)nn6c1C.c17ccccc1C.C34=O.CO3.N45.C67 |
41720 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)on1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c18cc4c5cc16.c17cc(C)on1.C28=O.C37=O.CO2.O4C.O5C.N36 |
41721 | COC(=O)Nc1sc(C)c(C)c1C(=O)NCc1cccnc1 | [C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16sc(C)c(C)c17.c18cccnc1.C23=O.C47=O.CO2.N36.N45.C58 |
41723 | O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1F | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccc7cc1.c16ccccc1F.N14CCCC1.O=C36.C47=O.N35 |
41724 | Cc1cc(C(=O)NCc2ccccc2Br)cs1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][S][Ring1][S] | c16ccccc1Br.Cc1cc5cs1.C35=O.N34.C46 |
41725 | COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)on1 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c13ccc6cc14.c15cc(C)on1.C6(C)(C)C.C25=O.CO3.N24 |
41726 | Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][O][Ring2][Ring1][Branch2] | c17cccc9c1.Cc1ccc8o1.c1%10ccccc1.C48=O.C59=O.N47.N56.C6%10 |
41727 | COC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)NC1CC1 | [C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | c16scc9c18.c19ccc(C)cc1.C34=O.C58=O.C17CC1.CO3.N46.N57 |
41728 | O=C(Nc1cccnc1)c1csc2ccccc12 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15csc2ccccc12.c14cccnc1.O=C35.N34 |
41729 | Cc1occc1C(=O)Nc1ccc(Br)cc1Cl | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] | c13ccc(Br)cc1Cl.Cc1occc14.C24=O.N23 |
41730 | CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17ccc5cc1.N15CCN4CC1.c16ccco1.CC7=O.C46=O |
41731 | O=C(Nc1nnc(C(F)(F)F)s1)c1cccnc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13nnc5s1.c14cccnc1.C5(F)(F)F.O=C24.N23 |
41733 | COc1ccccc1CNC(=O)c1ccc(C)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c13ccccc16.c15ccc(C)s1.C25=O.CO3.C46.N24 |
41734 | COC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(F)cc1.N14CCN5CC1.C34=O.CO3 |
41736 | CC1CCc2c(C(=O)NCc3ccco3)csc2C1 | [C][C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][S][C][=Ring1][=C][C][Ring2][Ring1][C] | CC1CCc2c6csc2C1.c17ccco1.C46=O.N45.C57 |
41737 | O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccs1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | c16ccccc1Cl.c14nnc6o1.c15cccs1.O=C35.N34 |
41738 | O=C(Nc1nc2c(s1)CCCC2)c1cccnc1 | [O][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14nc2c(s1)CCCC2.c15cccnc1.O=C35.N34 |
41739 | Cc1cnn(C(=O)c2c(-c3ccccc3)noc2C)c1 | [C][C][C][=N][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][C][=Ring2][Ring1][Ring1] | Cc1cnn(C4=O)c1.c14c5noc1C.c15ccccc1 |
41740 | COc1ccc(C(C)NC(=O)c2ccco2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][O][C] | c14ccc8cc15.c17ccco1.C68C.C37=O.CO4.N36.O5C |
41741 | COc1ccccc1CCNC(=O)c1ccc(C)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c13ccccc16.c15ccc(C)o1.C6C4.C25=O.CO3.N24 |
41742 | COC(=O)c1ccc(NC(=O)c2cc(C)oc2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=C][Ring1][S] | c16ccc5cc1.c17cc(C)oc1C.C36=O.C47=O.CO3.N45 |
41745 | Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cs1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][=C][S][Ring1][P] | Cc1cc5cs1.c14nnc6s1.C6(F)(F)F.C35=O.N34 |
41746 | COc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc7c5c1.N13CCN6CC1.S6(C)(=O)=O.C37=O.CO4.O5C |
41747 | CC(C)(C)C1CCC(C(=O)NCc2cccnc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S] | C16CCC5CC1.c17cccnc1.CC6(C)C.C35=O.N34.C47 |
41748 | O=C(NCc1cccs1)c1cc(Br)cs1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1] | c14cc(Br)cs1.c15cccs1.O=C24.N23.C35 |
41749 | Cc1c(C(=O)N2CC(C)OC(C)C2)oc2ccccc12 | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Cc1c4oc2ccccc12.N13CC(C)OC(C)C1.C34=O |
41750 | Cc1cc(C(=O)NCCc2ccc(Cl)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][P] | c16ccc(Cl)cc1.Cc1cc5no1.C35=O.C4C6.N34 |
41751 | Cc1c(C(=O)Nc2ccccn2)oc2ccccc12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1c5oc2ccccc12.c14ccccn1.C35=O.N34 |
41752 | Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)oc2ccccc12 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1c5oc2ccccc12.c14nnc6s1.C6(F)(F)F.C35=O.N34 |
41753 | O=C(Nc1ccc(C(F)(F)F)cc1)c1ccncc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc5cc1.c14ccncc1.C5(F)(F)F.O=C24.N23 |
41755 | CCc1ccc(C(=O)NCc2cccs2)s1 | [C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][=C] | c16ccc5s1.c17cccs1.C35=O.CC6.N34.C47 |
41756 | CCCc1cc(C(=O)Nc2nnc(C)s2)cs1 | [C][C][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][S][Ring1][=C] | c16cc5cs1.c14nnc(C)s1.CCC6.C35=O.N34 |
41759 | Cc1cnn(C(=O)c2ccccc2Br)c1 | [C][C][C][=N][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Ring1][=C] | Cc1cnn(C3=O)c1.c13ccccc1Br |
41760 | CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][P] | c16ccc2c(c1)OCO2.N15CCN4CC1.CS5(=O)=O.C46=O |
41761 | Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][Ring2] | c16ccc(S(N)(=O)=O)cc1.Cc1cc5c(C)o1.C35=O.N34.C46 |
41762 | O=C(Nc1ccc(Br)cc1Cl)C1CCCO1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][C][C][C][C][O][Ring1][Branch1] | c13ccc(Br)cc1Cl.C14CCCO1.O=C24.N23 |
41764 | O=C(Nc1ccon1)c1ccccc1Br | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.c13ccon1.O=C24.N23 |
41765 | O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc(Cl)cc1.c14cnn6c1.c15ccccc1.O=C35.N34.C67 |
41766 | O=C(Nc1nnc(C(F)(F)F)s1)c1cc2c(s1)CCCC2 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15cc2c(s1)CCCC2.c14nnc6s1.C6(F)(F)F.O=C35.N34 |
41767 | O=C(Nc1nnc(-c2ccncc2)s1)c1cc2c(s1)CCCC2 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15cc2c(s1)CCCC2.c14nnc6s1.c16ccncc1.O=C35.N34 |
41768 | O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.c14ccc2c(c1)OCO2.O=C34 |
41769 | Cc1occc1C(=O)N1CCN(C(=O)C2CCCO2)CC1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.Cc1occc16.C15CCCO1.C36=O.C45=O |
41770 | O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16ccc(Cl)cc1.O=C35.C4C6.N34 |
41772 | Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | Cc1cc5c(C)o1.N14CCC6CC1.c17ccccc1.C45=O.C67 |
41773 | Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][=N][O][Ring2][Ring1][Ring1] | Cc1cc6no1.c15nnc7s1.C17CCCCC1.C46=O.N45 |
41774 | CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][S] | N14CCN3CC1.c15ccccc1Cl.CS4(=O)=O.C3(=O)C5 |
41775 | Cc1cnc(NC(=O)Cc2c(F)cccc2Cl)s1 | [C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][P] | c15c(F)cccc1Cl.Cc1cnc4s1.C3(=O)C5.N34 |
41776 | O=C(Nc1ccccn1)c1csc2ccccc12 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15csc2ccccc12.c14ccccn1.O=C35.N34 |
41777 | COc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.c18csc6n1.c17ccc(C)o1.C47=O.CO5.N46 |
41778 | O=C(c1csc2ccccc12)N1CCCCCC1 | [O][=C][Branch1][=C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | c14csc2ccccc12.N13CCCCCC1.O=C34 |
41779 | COc1ccc(NC(=O)c2ccc(C)o2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.c17ccc(C)o1.C37=O.CO4.N36.O5C |
41780 | Cc1ccc(C(C)NC(=O)c2ccoc2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring1][P][C] | Cc1ccc6cc1C.c15ccoc1C.C46C.C35=O.N34 |
41781 | CCc1c(C(=O)Nc2ccccc2C(N)=O)csc1C | [C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][S][C][=Ring1][P][C] | c17c5csc1C.c14ccccc16.C35=O.C6(N)=O.CC7.N34 |
41782 | Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cs1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][=C][S][Ring2][Ring1][Ring1] | Cc1cc6cs1.c15nnc7s1.C17CCCCC1.C46=O.N45 |
41783 | COc1ccc(NC(=O)C2CCCO2)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][O][C] | c14ccc6cc15.C17CCCO1.C37=O.CO4.N36.O5C |
41784 | CC(=O)Nc1cccc(NC(=O)c2oc3ccccc3c2C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c18oc2ccccc2c1C.c16cccc7c1.CC4=O.C58=O.N46.N57 |
41785 | O=C(Nc1nccs1)c1cc(Cl)cc(Cl)c1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cc(Cl)cc(Cl)c1.c13nccs1.O=C24.N23 |
41786 | COc1cc(OC)cc(C(=O)Nc2ncc(C)s2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P] | c14cc5cc7c1.c16ncc(C)s1.C37=O.CO4.O5C.N36 |
41787 | O=C(Nc1ccc(Br)cc1Cl)c1cnccn1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccc(Br)cc1Cl.c14cnccn1.O=C24.N23 |
41789 | Cc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O][O][Ring2][Ring1][Ring1] | Cc1ccc6o1.c15nnc7s1.c17ccncc1.C46=O.N45 |
41790 | CC(=O)c1ccccc1NS(=O)(=O)c1cccs1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S2(=O)(=O)c1cccs1.c14ccccc13.CC4=O.N23 |
41791 | Cc1ccc2c(c1)CCCN2C(=O)c1ccoc1C | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | Cc1ccc2c(c1)CCCN23.c14ccoc1C.C34=O |
41792 | O=C(Nc1nc2c(s1)CCCC2)c1c(F)cccc1F | [O][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c14nc2c(s1)CCCC2.c15c(F)cccc1F.O=C35.N34 |
41797 | Cc1occc1C(=O)Nc1nnc(-c2ccncc2)s1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | Cc1occc15.c14nnc6s1.c16ccncc1.C35=O.N34 |
41798 | CC(NC(=O)c1ccc2c(c1)OCO2)C1CCCO1 | [C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch1] | c15ccc2c(c1)OCO2.C16CCCO1.CC46.C35=O.N34 |
41799 | O=C(Nc1ccc(C(F)(F)F)cc1)C1CCCO1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][C][O][Ring1][Branch1] | c13ccc5cc1.C14CCCO1.C5(F)(F)F.O=C24.N23 |
41800 | COc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2] | c15cccc6c1.N16CCN4CC1.c17cccnc1.C47=O.CO5 |
41801 | CC(=O)Nc1cccc(NC(=O)c2ccoc2C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][#C] | c15cccc6c1.c17ccoc1C.CC3=O.C47=O.N35.N46 |
41802 | O=C(Nc1cccnc1)c1cc(Cl)cc(Cl)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cc(Cl)cc(Cl)c1.c13cccnc1.O=C24.N23 |
41803 | O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)CCC2.c15ccc2c(c1)OCO2.O=C35.N34 |
41804 | CCOC(=O)c1sc(NC(=O)C2CCCO2)nc1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=N][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18sc6nc19.c19ccccc1.C17CCCO1.C38=O.C47=O.CC5.O35.N46 |
41805 | CCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c18ccc3c4c1.c17noc(C)c16.C26=O.C5C8.CC7.N25.O3C.O4C |
41806 | COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(C)on1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c17cc8sc15.c18ccccc1.c16cc(C)on1.C37=O.C46=O.CO3.N45 |
41807 | O=C(c1cccs1)N1CCN(C(=O)C2CCCO2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c16cccs1.C15CCCO1.O=C36.C45=O |
41808 | Cc1cc(C(=O)NC2CCCc3ccccc32)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][O][Ring2][Ring1][C] | N4C1CCCc2ccccc21.Cc1cc5no1.C45=O |
41809 | COC(=O)CNC(=O)c1cc2cc(Cl)ccc2oc1=O | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c16cc2cc(Cl)ccc2oc1=O.C3(=O)C5.C46=O.CO3.N45 |
41810 | Cc1occc1C(=O)Nc1nnc(C2CCCCC2)s1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O] | Cc1occc15.c14nnc6s1.C16CCCCC1.C35=O.N34 |
41813 | Cc1scc(C(=O)NCc2ccco2)c1-c1ccccc1 | [C][C][S][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1scc5c17.c17ccccc1.c16ccco1.C35=O.N34.C46 |
41814 | COc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c18cc2c(s1)CCCC2.c15ccc9cc16.C48=O.CO5.C79.N47.O6C |
41816 | O=C(Nc1nnc(C(F)(F)F)s1)c1csc2ccccc12 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15csc2ccccc12.c14nnc6s1.C6(F)(F)F.O=C35.N34 |
41817 | Cc1noc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | Cc1noc(C)c14.N13CCC5CC1.c16ccccc1.C34=O.C56 |
41818 | Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=C][S][Ring1][P] | c15nc2c(s1)CCCC2.Cc1cc6cs1.C46=O.N45 |
41819 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cc4c5cc16.c18cccnc1.C27=O.C38=O.CO2.O4C.O5C.N36 |
41820 | COC(=O)Nc1sc2c(c1C(N)=O)CCc1ccccc1-2 | [C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | c15sc2c(c16)CCc1ccccc1-2.C34=O.C6(N)=O.CO3.N45 |
41821 | Cc1ccc2c(c1)CCCN2C(=O)c1ccncc1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1ccc2c(c1)CCCN23.c14ccncc1.C34=O |
41822 | Cc1nc(NC(=O)c2oc3ccccc3c2C)sc1C(=O)N(C)C | [C][C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][S][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C] | c17oc2ccccc2c1C.Cc1nc6sc18.C47=O.C58=O.N5(C)C.N46 |
41824 | CC(NC(=O)c1cccc(Br)c1)C1CCCO1 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][C][O][Ring1][Branch1] | c14cccc(Br)c1.C15CCCO1.CC35.C24=O.N23 |
41825 | CC(=O)Nc1cccc(NC(=O)c2cc(C)on2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][Ring1][#C] | c15cccc6c1.c17cc(C)on1.CC3=O.C47=O.N35.N46 |
41826 | O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.N13CCN4CC1.C15CCC1.O=C35 |
41828 | COC(=O)c1sccc1NC(=O)c1csc(C)c1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1] | c15sccc14.c16csc(C)c1.C25=O.C36=O.CO2.N34 |
41829 | Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][=N][O][Ring1][P] | Cc1cc5no1.c14nnc6s1.C6(F)(F)F.C35=O.N34 |
41830 | COC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1OC | [C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c16sc(C)c(C)c18.c17ccccc15.C23=O.C48=O.CO2.N36.N47.O5C |
41831 | Cc1onc(-c2ccccc2)c1C(=O)NC(C)C1CCCO1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][O][Ring1][Branch1] | Cc1onc7c15.c17ccccc1.C16CCCO1.C35=O.C46C.N34 |
41832 | Cc1noc(C)c1C(=O)N1CCC2(CC1)OCCO2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.Cc1noc(C)c14.C34=O |
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