ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
41833 | CCCc1cc(C(=O)OCC)c(NC(=O)c2cccnc2)s1 | [C][C][C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | c19cc7c6s1.c18cccnc1.CCC9.C37=O.C48=O.O35.C5C.N46 |
41835 | CC(NC(=O)C1c2ccccc2Oc2ccccc21)c1ccncc1 | [C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C3(=O)C1c2ccccc2Oc2ccccc21.c15ccncc1.CC45.N34 |
41836 | O=C(NCc1ccco1)c1cc2c(s1)CCCC2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15cc2c(s1)CCCC2.c16ccco1.O=C35.N34.C46 |
41837 | Cc1ccc(C(=O)Nc2ccccc2C(N)=O)s1 | [C][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][S][Ring1][P] | c14ccccc16.Cc1ccc5s1.C35=O.C6(N)=O.N34 |
41839 | O=C(c1c(F)cccc1F)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15c(F)cccc1F.N13CCN4CC1.c14ncccn1.O=C35 |
41840 | Cc1cc(NC(=O)COc2ccccc2Br)no1 | [C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][O][Ring1][P] | c15ccccc1Br.Cc1cc6no1.C3(=O)C4.N36.O45 |
41842 | CCc1c(C(=O)Nc2ncn(Cc3cccc(C)c3)n2)csc1C | [C][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=Ring1][=N][=C][S][C][=Ring2][Ring1][Branch1][C] | c18c6csc1C.c19cccc(C)c1.c15ncn7n1.C46=O.CC8.N45.C79 |
41843 | COC(=O)c1c(NC(=O)C2CCC2)sc(C(=O)N(C)C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][P][C] | c19c6sc7c1C.C18CCC1.C39=O.C48=O.C57=O.N5(C)C.CO3.N46 |
41844 | CS(=O)(=O)N1CCN(C(=O)Cc2cccs2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | N14CCN3CC1.c15cccs1.CS4(=O)=O.C3(=O)C5 |
41845 | Cc1occc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C] | c14ccc(Cl)c(Cl)c1.N13CCN4CC1.Cc1occc15.C35=O |
41847 | CCc1cc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cs1 | [C][C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring1][=C][=C][S][Ring2][Ring1][Branch1] | N14CCN6CC1.c16cccc5c1.c18cc7cs1.C47=O.CC8.O5C |
41848 | Cc1sc(NC(=O)c2ccccc2)c(C(N)=O)c1-c1ccccc1 | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc4c6c17.c15ccccc1.c17ccccc1.C35=O.C6(N)=O.N34 |
41849 | Cc1sc(NC(=O)C2CCCO2)nc1-c1ccc(F)cc1 | [C][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][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc4nc16.c16ccc(F)cc1.C15CCCO1.C35=O.N34 |
41851 | COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.c18nnc6s1.c17cc(C)on1.C47=O.CO5.N46 |
41853 | O=C(Cc1cccs1)NCc1cccc(Cl)c1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.c14cccs1.O=C2C4.N23.C35 |
41854 | Cc1occc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | c13ccc(Cl)cc15.Cc1occc14.C5(F)(F)F.C24=O.N23 |
41855 | CCC(C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 | [C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC5C3=O.c14nnc6s1.c15ccccc1.C16CC1.N34 |
41856 | Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)o1 | [C][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][O][Ring1][P] | c16ccc(Cl)cc1.Cc1ccc5o1.C35=O.C4C6.N34 |
41857 | COC(=O)c1cc(C)sc1NC(=O)COc1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cc(C)sc16.c15ccccc1.C3(=O)C4.C27=O.CO2.N36.O45 |
41858 | CC(C)(C)C1CCC(C(=O)Nc2cccnc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C] | C16CCC5CC1.c14cccnc1.CC6(C)C.C35=O.N34 |
41859 | O=C(Nc1nnc(C2CCCCC2)s1)c1c(F)cccc1F | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c15c(F)cccc1F.c14nnc6s1.C16CCCCC1.O=C35.N34 |
41860 | O=C(c1cccnc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C] | c14ccc(Cl)c(Cl)c1.N13CCN4CC1.c15cccnc1.O=C35 |
41861 | O=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.c14c(F)cccc1Cl.O=C3C4 |
41863 | O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnccn1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccc(Cl)cc15.c14cnccn1.C5(F)(F)F.O=C24.N23 |
41864 | Cc1nc(NC(=O)c2c(F)cccc2F)sc1C(=O)N(C)C | [C][C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][S][C][=Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C] | c17c(F)cccc1F.Cc1nc5sc16.C37=O.C46=O.N4(C)C.N35 |
41865 | O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccs2)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c19ccccc1.c17cccs1.O=C38.C47=O.N35.C59.N46 |
41867 | O=C(c1csc2c1CCCC2)N1CCc2ccccc2C1 | [O][=C][Branch1][=C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14csc2c1CCCC2.O=C34 |
41868 | O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][N][C][C][C][C][C][Ring1][=Branch1] | c14cc2cc(Cl)ccc2oc1=O.N13CCCCC1.O=C34 |
41869 | COc1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | N13CC(C)OC(C)C1.c14ccc5cc1.C5CC3=O.CO4 |
41871 | CCc1sc(C(=O)Nn2cnnc2)cc1Br | [C][C][C][S][C][Branch1][=N][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1][=C][C][=Ring1][=N][Br] | C3(=O)Nn1cnnc1.c14sc3cc1Br.CC4 |
41872 | 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 |
41873 | O=C(Nc1c(F)cc(F)cc1Br)C1CCCO1 | [O][=C][Branch1][P][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][C][C][C][C][O][Ring1][Branch1] | c13c(F)cc(F)cc1Br.C14CCCO1.O=C24.N23 |
41874 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1C | [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][O][C][=Ring1][Branch1][C] | c17cc4c5cc16.c18ccoc1C.C27=O.C38=O.CO2.O4C.O5C.N36 |
41875 | CCSc1nnc(NC(=O)c2csc(C)c2)s1 | [C][C][S][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][S][Ring1][=C] | c17nnc5s1.c16csc(C)c1.C36=O.CC4.S47.N35 |
41876 | O=C(Nc1ccon1)c1sc2ccccc2c1Cl | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.c14ccon1.O=C35.N34 |
41877 | CC(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 | [C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][=N] | c16ccc(Br)cc1.c14cnn5c1.CC3=O.N34.C56 |
41878 | Cc1noc(C)c1C(=O)NCCc1ccc(Cl)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1noc(C)c14.c15ccc(Cl)cc1.C24=O.C3C5.N23 |
41879 | Cc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cs1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][=C][S][Ring2][Ring1][Ring2] | c17ccccc1Cl.Cc1cc6cs1.c15nnc7o1.C46=O.N45 |
41880 | CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][Ring1][Branch1] | c18c6sc2c1CCC2.c17ccco1.CC5C.C38=O.C47=O.O35.N46 |
41881 | Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | Cc1cc(Cl)ccc14.N12CCN5CC1.C3C2=O.S5(C)(=O)=O.O34 |
41882 | O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nccs1 | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][=C][S][Ring1][Branch1] | c14ccc(Cl)c(Cl)c1.c13nccs1.O=C2C4.N23 |
41884 | COC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)C2 | [C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Branch1][C][C][C][Ring1][S] | c16sc2c(c17)CCC(C)C2.N15CCOCC1.C34=O.C57=O.CO3.N46 |
41885 | O=C(Cc1cccs1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.c14ncccn1.c15cccs1.O=C3C5 |
41887 | CC(C)(C)c1ccc(C(=O)Nc2cnccn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc5cc1.c14cnccn1.CC6(C)C.C35=O.N34 |
41888 | COc1ccc(NC(=O)c2cc(C)on2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.c17cc(C)on1.C37=O.CO4.N36.O5C |
41889 | Cc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)no1 | [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][=N][O][Ring2][Ring1][Ring1] | Cc1cc6no1.c15nnc7s1.c17ccncc1.C46=O.N45 |
41890 | CC(NC(=O)C1c2ccccc2Oc2ccccc21)C1CCCO1 | [C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][C][C][O][Ring1][Branch1] | C3(=O)C1c2ccccc2Oc2ccccc21.C15CCCO1.CC45.N34 |
41892 | Cc1ccc(Cl)c(OCC(=O)NCc2ccco2)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | Cc1ccc(Cl)c5c1.c17ccco1.C4C3=O.O45.N36.C67 |
41893 | COc1cc2c(cc1NC(=O)C1CCCO1)oc1ccccc12 | [C][O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | c14cc2c(cc15)oc1ccccc12.C16CCCO1.C36=O.CO4.N35 |
41894 | Cc1cc(C)cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.c14sc(C)c(C)c16.C35=O.C6(N)=O.N34 |
41895 | Cc1sc(NC(=O)Cc2cccs2)c(C(N)=O)c1C | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][P][C] | Cc1sc4c5c1C.c16cccs1.C3(=O)C6.C5(N)=O.N34 |
41897 | O=C(C1CCCO1)N(Cc1ccccc1)c1ccccc1 | [O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c14ccccc1.C15CCCO1.O=C25.N234.C36 |
41898 | CCCc1cc(C(=O)OC)c(NC(=O)OCC)s1 | [C][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][S][Ring1][#C] | c18cc7c6s1.CCC8.C27=O.C34=O.O2C.N46.O35.C5C |
41900 | O=C(Cc1cccs1)NCc1ccccc1Br | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.c14cccs1.O=C2C4.N23.C35 |
41901 | CC(NC(=O)c1csc2ccccc12)C1CCCO1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch1] | c15csc2ccccc12.C16CCCO1.CC46.C35=O.N34 |
41902 | O=S(=O)(NCc1ccccc1Br)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][S][Ring1][Branch1] | O=S3(=O)c1cccs1.c14ccccc1Br.N23.C24 |
41904 | Cc1sc(NC(=O)C2CCC2)nc1-c1ccc(F)cc1 | [C][C][S][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][C][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc4nc16.c16ccc(F)cc1.C15CCC1.C35=O.N34 |
41905 | O=C(NCc1ccccc1Br)C1CCCO1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][C][C][O][Ring1][Branch1] | c15ccccc1Br.C14CCCO1.O=C24.N23.C35 |
41906 | CCc1cc(C(=O)OC)c(NC(=O)c2ccoc2C)s1 | [C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][Ring2][Ring1][C] | c18cc6c5s1.c17ccoc1C.C36=O.C47=O.CC8.O3C.N45 |
41907 | Cc1occc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.Cc1occc14.C24=O.C3C5.N23 |
41908 | Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)o1 | [C][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][O][Ring2][Ring1][Ring1] | Cc1ccc6o1.c15nnc7s1.C17CCCCC1.C46=O.N45 |
41910 | COc1ccc(NC(=O)c2cnccn2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.c17cnccn1.C37=O.CO4.N36.O5C |
41911 | CC(=O)Nc1sc(C)c(C)c1C(=O)NC1CCCCC1 | [C][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] | c14sc(C)c(C)c16.C15CCCCC1.CC2=O.C36=O.N24.N35 |
41913 | CCOC(=O)c1sc(NC(=O)OC)c(C(=O)OC)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][=C][C] | c18sc7c9c1C.C28=O.C35=O.C49=O.CC6.O26.N57.O3C.O4C |
41915 | CCC(C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 | [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][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCN3CC1.CCC4C2=O.c14ccccc1.S3(C)(=O)=O |
41916 | Cc1scc(C(=O)N2CCC3(CC2)OCCO3)c1-c1ccccc1 | [C][C][S][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14CCC2(CC1)OCCO2.Cc1scc5c16.c16ccccc1.C45=O |
41918 | CC(NC(=O)c1cccc(C(F)(F)F)c1)C1CCCO1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][C][O][Ring1][Branch1] | c14cccc6c1.C15CCCO1.C6(F)(F)F.CC35.C24=O.N23 |
41919 | CSc1ccccc1NC(=O)c1ccc2c(c1)OCO2 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16ccccc14.C35=O.CS6.N34 |
41921 | Cc1cc(C(=O)N2CCC3(CC2)OCCO3)cs1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][S][Ring1][P] | N14CCC2(CC1)OCCO2.Cc1cc5cs1.C45=O |
41922 | Cc1cccc2sc(NC(=O)c3cccnc3)nc12 | [C][C][=C][C][=C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=Ring1][=C] | Cc1cccc2sc5nc12.c16cccnc1.C46=O.N45 |
41923 | COc1ccc(OC)c(-c2csc(NC(=O)C3CCC3)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][=C][S][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][Ring1][N][=C][Ring2][Ring1][Ring2] | c15ccc6c9c1.c19csc7n1.C18CCC1.C48=O.CO5.O6C.N47 |
41924 | CCOc1cccc2cc(C(=O)NCc3cccs3)c(=O)oc12 | [C][C][O][C][=C][C][=C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=Ring1][S] | c16cccc2cc8c(=O)oc12.c19cccs1.C48=O.CC5.O56.N47.C79 |
41925 | COc1ccc(C(C)NC(=O)Cc2cccs2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17cccs1.C3(=O)C7.C68C.CO4.N36.O5C |
41926 | O=C(NCc1ccccn1)c1cc(F)c(F)cc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c14cc(F)c(F)cc1Cl.c15ccccn1.O=C24.N23.C35 |
41927 | Cc1ccc(NC(=O)c2cnccn2)c(OC(F)F)c1 | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] | Cc1ccc5c4c1.c16cnccn1.O4C(F)F.C36=O.N35 |
41928 | CCOc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16ccc9cc1.c19csc7n1.C18CCCO1.C48=O.CC5.O56.N47 |
41929 | COc1ccc(C(C)NC(=O)c2csc3c2CCCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c18csc2c1CCCC2.c15ccc9cc16.C79C.C48=O.CO5.N47.O6C |
41930 | Cc1cc(CNC(=O)Cc2c(F)cccc2Cl)nn1C | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][N][Ring2][Ring1][C][C] | c16c(F)cccc1Cl.Cc1cc5nn1C.C3(=O)C6.C45.N34 |
41931 | O=C(Cc1ccccc1Cl)NCc1cccs1 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][C][=C][S][Ring1][Branch1] | c15ccccc1Cl.c14cccs1.O=C2C5.N23.C34 |
41932 | COc1ccccc1CCNC(=O)c1ccoc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | c13ccccc16.c15ccoc1C.C6C4.C25=O.CO3.N24 |
41933 | CCOC(=O)Cc1csc(NC(=O)c2csc(C)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][=N][Ring1][=C] | c18csc6n1.c17csc(C)c1.C3(=O)C8.C47=O.CC5.O35.N46 |
41934 | Cc1noc(C)c1C(=O)NC1CCCc2ccccc21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N3C1CCCc2ccccc21.Cc1noc(C)c14.C34=O |
41936 | O=C(NCc1ccccc1)c1cccc(NC(=O)c2cnccn2)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C] | c18cccc6c1.c19ccccc1.c17cnccn1.O=C38.C47=O.N35.C59.N46 |
41937 | CCc1sc(NC(=O)c2cccnc2)nc1-c1ccccc1 | [C][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16sc4nc17.c15cccnc1.c17ccccc1.C35=O.CC6.N34 |
41938 | CSc1ccccc1NC(=O)c1csc(C)c1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1] | c15ccccc13.c14csc(C)c1.C24=O.CS5.N23 |
41940 | CCC(NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccccc1 | [C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2cc(Cl)ccc2oc1=O.c16ccccc1.CCC46.C35=O.N34 |
41941 | O=C(Cc1c(F)cccc1Cl)Nc1ccon1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][O][N][=Ring1][Branch1] | c14c(F)cccc1Cl.c13ccon1.O=C2C4.N23 |
41942 | Cc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)cs1 | [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][=C][S][Ring2][Ring1][Ring1] | Cc1cc6cs1.c15nnc7s1.c17ccncc1.C46=O.N45 |
41943 | Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)cs1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring1][P] | c15ccc2c(c1)OCO2.Cc1cc6cs1.C46=O.N45 |
41944 | O=C(Nc1ccc2c(c1)OCCO2)c1csc2ccccc12 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.c15csc2ccccc12.O=C35.N34 |
41945 | Cc1nn(C)cc1CNC(=O)c1cc(Br)cs1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1] | Cc1nn(C)cc15.c14cc(Br)cs1.C24=O.C35.N23 |
41946 | CCCc1cc(C(=O)OC)c(NC(=O)c2c(CC)noc2C)s1 | [C][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][C][=N][O][C][=Ring1][#Branch1][C][S][Ring2][Ring1][Ring2] | c18cc6c5s1.c17c9noc1C.CCC8.C36=O.C47=O.O3C.N45.C9C |
41947 | COc1ccc(-c2nnc(NC(=O)c3ccc(C)o3)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.c18nnc6s1.c17ccc(C)o1.C47=O.CO5.N46 |
41948 | O=C(c1csc2c1CCCC2)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][=C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.c14csc2c1CCCC2.O=C34 |
41949 | Cc1cc(C(=O)NCc2cccc(Cl)c2)cs1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][S][Ring1][S] | c16cccc(Cl)c1.Cc1cc5cs1.C35=O.N34.C46 |
41952 | O=C(NCc1ccccc1Br)c1cccs1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][S][Ring1][Branch1] | c15ccccc1Br.c14cccs1.O=C24.N23.C35 |
41953 | Cc1noc(C)c1C(=O)NC(C)c1ccc2c(c1)OCO2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.Cc1noc(C)c15.C35=O.C46C.N34 |
41954 | CC(=O)Nc1cccc(NC(=O)c2ccc(C)o2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][Ring1][#C] | c15cccc6c1.c17ccc(C)o1.CC3=O.C47=O.N35.N46 |
41956 | Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][=Branch2] | c14sc2c(c16)CCC2.Cc1noc(C)c15.C35=O.C6(N)=O.N34 |
41958 | COc1ccccc1CNC(=O)c1csc(C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1] | c13ccccc16.c15csc(C)c1.C25=O.CO3.C46.N24 |
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