ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
41959 | Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)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][C][O][Ring1][#Branch1][=C][S][Ring2][Ring1][C] | c15ccc2c(c1)OCCO2.Cc1cc6cs1.C46=O.N45 |
41960 | COC(=O)Nc1sc2c(c1C(=O)OC)-c1ccc(OC)cc1CC2 | [C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][#Branch2][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][P] | c17sc2c(c18)-c1ccc6cc1CC2.C35=O.C48=O.CO3.N57.O4C.O6C |
41961 | COc1ccc(C(C)(C)C)cc1NC(=O)c1cccnc1 | [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][=C][N][=C][Ring1][=Branch1] | c13ccc6cc14.c15cccnc1.C6(C)(C)C.C25=O.CO3.N24 |
41962 | CCCc1cc(C(N)=O)c(NC(=O)C2CCCO2)s1 | [C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][Ring1][S] | c17cc6c4s1.C15CCCO1.CCC7.C6(N)=O.C35=O.N34 |
41964 | Cc1c(C(N)=O)sc(NC(=O)c2cccnc2)c1C#N | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P][C][#N] | Cc1c5sc4c1C#N.c16cccnc1.C5(N)=O.C36=O.N34 |
41965 | Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cs1 | [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][S][Ring2][Ring1][Ring2] | N14CCC6CC1.Cc1cc5cs1.c17ccccc1.C45=O.C67 |
41966 | CC1Cc2ccccc2N1C(=O)Cc1cccs1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1] | CC1Cc2ccccc2N13.c14cccs1.C3(=O)C4 |
41967 | O=C(NCc1ccccc1)c1cccc(NC(=O)C2CCCO2)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][O][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c19ccccc1.C17CCCO1.O=C38.C47=O.N35.C59.N46 |
41969 | COc1ccc(NC(=O)C2CCCO2)cc1Cl | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl] | c14ccc5cc1Cl.C16CCCO1.C36=O.CO4.N35 |
41970 | COC(=O)c1cc(C)sc1NC(=O)c1ccccc1Cl | [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][=C][Ring1][=Branch1][Cl] | c15cc(C)sc14.c16ccccc1Cl.C25=O.C36=O.CO2.N34 |
41971 | O=C(Nc1scc2c1c(=O)oc1ccccc12)C1CCCO1 | [O][=C][Branch2][Ring1][Branch2][N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][C][O][Ring1][Branch1] | c14scc2c1c(=O)oc1ccccc12.C15CCCO1.O=C35.N34 |
41972 | O=C(Nc1cnccn1)C1c2ccccc2Oc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | O=C3C1c2ccccc2Oc2ccccc21.c14cnccn1.N34 |
41973 | Cc1nn(C)cc1CNC(=O)c1cccc(Cl)c1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nn(C)cc15.c14cccc(Cl)c1.C24=O.C35.N23 |
41974 | CNS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 | [C][N][S][=Branch1][C][=O][=Branch1][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] | S4(=O)(=O)c1ccc5cc1.c16cnccn1.C36=O.CN4.N35 |
41975 | O=C(Nc1cccnc1)c1cc2cc(Br)ccc2oc1=O | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.c14cccnc1.O=C35.N34 |
41976 | CCC(C)c1ccccc1NC(=O)c1ccncc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccccc13.c14ccncc1.CCC5C.C24=O.N23 |
41978 | CNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | S4(=O)(=O)c1ccc5cc1.c16cccs1.C36=O.CN4.N35 |
41979 | CCC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 | [C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14sc2c(c15)CCC2.CCC6C3=O.c16ccccc1.C5(N)=O.N34 |
41980 | CNS(=O)(=O)c1ccc(NC(=O)c2ccoc2C)cc1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring1][#C] | S4(=O)(=O)c1ccc5cc1.c16ccoc1C.C36=O.CN4.N35 |
41981 | COC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c18cc2c(s1)CCCC2.c17sc6nc1C.C47=O.C58=O.CO4.N56 |
41983 | O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccnc1 | [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][N][=C][Ring1][=Branch1] | c16ccccc1Cl.c14nnc6o1.c15cccnc1.O=C35.N34 |
41984 | Cc1ccc(Cl)c(OCC(=O)NCc2cccnc2)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1ccc(Cl)c5c1.c17cccnc1.C4C3=O.O45.N36.C67 |
41985 | COc1ccc(CCNC(=O)c2ccc(C)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17ccc(C)s1.C8C6.C37=O.CO4.N36.O5C |
41986 | COc1cccc(C(=O)N2CCCC(C)C2)c1OC | [C][O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][#C][O][C] | c14cccc6c15.N13CCCC(C)C1.C36=O.CO4.O5C |
41988 | Cc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12 | [C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | Cc1c5oc2ccccc12.c16ccncc1.C35=O.C46C.N34 |
41990 | CCC(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 | [C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][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] | c15ccc6cc1.CCC7C3=O.c17ccccc1.N14CCCC1.C46=O.N35 |
41991 | COC(=O)c1sccc1NC(=O)c1c(C)noc1C | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | c16c(C)noc1C.c15sccc14.C25=O.C36=O.CO2.N34 |
41992 | O=C(NCc1cccs1)c1csc2ccccc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15csc2ccccc12.c16cccs1.O=C35.N34.C46 |
41994 | Cc1ccc(C(=O)Nc2ccc(Br)cc2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][O][Ring1][S] | c14ccc(Br)cc1C.Cc1ccc5o1.C35=O.N34 |
41995 | O=C(NCc1ccccn1)c1csc2ccccc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15csc2ccccc12.c16ccccn1.O=C35.N34.C46 |
41996 | Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12 | [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][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1c5oc2ccccc12.N13CCN4CC1.S4(C)(=O)=O.C35=O |
41997 | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][=Branch1] | c16ccc(S5(=O)=O)cc1.Cc1ccc7o1.N15CCCC1.C47=O.N46 |
41998 | CC(=O)Nc1sccc1C(=O)Nc1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14sccc16.CC2=O.C36=O.N24.N35 |
42000 | CC(=O)Nc1cccc(NC(=O)c2csc(C)c2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][=C][Ring1][#C] | c15cccc6c1.c17csc(C)c1.CC3=O.C47=O.N35.N46 |
42001 | Cc1scc(C(=O)Nc2ccccn2)c1-c1ccccc1 | [C][C][S][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1scc5c16.c14ccccn1.c16ccccc1.C35=O.N34 |
42002 | COC(=O)c1c(-c2cccnc2)csc1NC(=O)c1cc(C)on1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c17c8csc15.c18cccnc1.c16cc(C)on1.C37=O.C46=O.CO3.N45 |
42003 | Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1 | [C][C][=C][C][Branch2][Ring1][#Branch2][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][=C][S][Ring2][Ring1][Ring2] | c16ccc(S(N)(=O)=O)cc1.Cc1cc5cs1.C35=O.C4C6.N34 |
42004 | 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 |
42005 | O=C(CSc1ccccc1)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][O][C][S][C][=C][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.c15ccccc1.O=C3C4.S45 |
42007 | CCOc1ccc2ccccc2c1C(=O)NCc1cccnc1 | [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][C][=C][N][=C][Ring1][=Branch1] | c15ccc2ccccc2c17.c18cccnc1.C37=O.CC4.O45.N36.C68 |
42008 | Cc1ccc2c(c1)CCCN2C(=O)c1c(C)noc1C | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | Cc1ccc2c(c1)CCCN23.c14c(C)noc1C.C34=O |
42009 | CCc1c(C)sc(NC(=O)C2CCCO2)c1C(=O)OC(C)C | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c19c(C)sc6c18.C17CCCO1.C47=O.C38=O.C5(C)C.CC9.N46.O35 |
42010 | COc1ccc(C(C)NC(=O)c2cccnc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17cccnc1.C68C.C37=O.CO4.N36.O5C |
42011 | Cc1c(C(=O)NC(C)C2CCCO2)oc2ccccc12 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][O][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Cc1c5oc2ccccc12.C16CCCO1.C35=O.C46C.N34 |
42012 | Cc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1c6oc2ccccc12.N14CCN5CC1.c15ncccn1.C46=O |
42013 | COc1cc(OC)c(NC(=O)c2csc(C)c2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c14cc5c6cc1Cl.c17csc(C)c1.C37=O.CO4.O5C.N36 |
42014 | Cc1c(C(=O)NCc2cccs2)oc2ccccc12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1c5oc2ccccc12.c16cccs1.C35=O.N34.C46 |
42015 | COC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][C][Ring1][#C] | N14CCN5CC1.c15ccc6cc1.C34=O.C6(C)=O.CO3 |
42016 | CC(NC(=O)c1csc2c1CCCC2)c1ccncc1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15csc2c1CCCC2.c16ccncc1.CC46.C35=O.N34 |
42017 | CCc1cccc(C)c1NC(=O)c1cc(C)oc1C | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C] | c15cccc(C)c13.c14cc(C)oc1C.C24=O.CC5.N23 |
42019 | O=C(NCc1cccnc1)c1csc2ccccc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15csc2ccccc12.c16cccnc1.O=C35.N34.C46 |
42020 | COc1ccc(NC(=O)c2csc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.c17csc(C)c1.C37=O.CO4.N36.O5C |
42021 | CCSc1nnc(NC(=O)c2cc(C)oc2C)s1 | [C][C][S][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][S][Ring1][#C] | c16cc(C)oc1C.c17nnc5s1.C36=O.CC4.S47.N35 |
42022 | CCc1c(C(=O)NCc2ccc(OC)c(OC)c2)csc1C | [C][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][S][C][=Ring2][Ring1][Ring1][C] | c19ccc4c5c1.c18c7csc1C.C37=O.CC8.N36.C69.O4C.O5C |
42023 | CCc1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring1][P] | c16ccc(Cl)c(Cl)c1.c15nnc4s1.C3(=O)C6.CC5.N34 |
42024 | CCOC(=O)Cc1csc(NC(=O)c2ccc(C)o2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][=C] | c18csc6n1.c17ccc(C)o1.C3(=O)C8.C47=O.CC5.O35.N46 |
42025 | Cc1cc(CNC(=O)c2cc(Br)ccc2Cl)nn1C | [C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][=N][N][Ring1][P][C] | c15cc(Br)ccc1Cl.Cc1cc6nn1C.C35=O.C46.N34 |
42026 | O=C(Nc1ccncc1)c1cccc(Cl)c1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c14cccc(Cl)c1Cl.c13ccncc1.O=C24.N23 |
42027 | Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)oc2ccccc12 | [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][O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1c5oc2ccccc12.c16ccc(S(N)(=O)=O)cc1.C35=O.N34.C46 |
42028 | CC(=O)Nc1sccc1C(=O)NCc1ccco1 | [C][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c15sccc16.c17ccco1.CC2=O.C36=O.N25.N34.C47 |
42029 | COc1cccc(C(=O)N2CC(C)OC(C)C2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][S][O][C] | c14cccc6c15.N13CC(C)OC(C)C1.C36=O.CO4.O5C |
42030 | Cc1noc(C)c1C(=O)Nc1ccc2c(c1)CCC2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c14ccc2c(c1)CCC2.Cc1noc(C)c15.C35=O.N34 |
42031 | O=C(COc1cccc(C(F)(F)F)c1)NCc1cccnc1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14cccc6c1.c17cccnc1.O=C2C3.C6(F)(F)F.O34.N25.C57 |
42033 | O=C(Nc1ccncc1)c1cc(Br)cs1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1] | c13ccncc1.c14cc(Br)cs1.O=C24.N23 |
42034 | CCc1sc(C(=O)NC(C)C2CCCO2)cc1Br | [C][C][C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][O][Ring1][Branch1][=C][C][=Ring1][#C][Br] | c17sc5cc1Br.C16CCCO1.C35=O.C46C.CC7.N34 |
42035 | O=C(Nc1nnc(-c2ccncc2)s1)C1CCCO1 | [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][O][Ring1][Branch1] | c14nnc6s1.c16ccncc1.C15CCCO1.O=C35.N34 |
42036 | O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1 | [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][N][=C][Ring1][=Branch1] | c15ccc7cc1.c16cccnc1.N14CCCC1.O=C36.C47=O.N35 |
42037 | Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)o1 | [C][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][O][Ring1][P] | N13CCN4CC1.Cc1ccc5o1.S4(C)(=O)=O.C35=O |
42038 | O=C(NCc1ccccc1F)c1csc2c1CCCC2 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15csc2c1CCCC2.c16ccccc1F.O=C35.N34.C46 |
42040 | Cc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 | [C][C][O][C][=C][C][=Ring1][Branch1][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] | c16cccc8c1.Cc1occc17.c19ccccc1.C37=O.C48=O.N36.N45.C59 |
42041 | Cc1sc(NC(=O)c2cnccn2)c(C(N)=O)c1-c1ccccc1 | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc4c6c17.c15cnccn1.c17ccccc1.C35=O.C6(N)=O.N34 |
42043 | Cc1noc(C)c1C(=O)NCc1ccccc1Br | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | Cc1noc(C)c14.c15ccccc1Br.C24=O.N23.C35 |
42044 | Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][Ring2][Ring1][C] | c14ccc6cc1.Cc1ccc5o1.C6(F)(F)F.C35=O.N34 |
42045 | CCc1c(C)sc(NC(=O)c2ccc(OC(C)C)cc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][Branch1][C][N][=O] | c19c(C)sc6c18.c17ccc5cc1.C37=O.C4(C)C.C8(N)=O.CC9.N36.O45 |
42046 | COC(=O)c1sc(NC(=O)c2csc(C)c2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c16sc5nc1C.c17csc(C)c1.C36=O.C47=O.CO3.N45 |
42047 | O=C(NCc1ccccn1)c1cccc(Cl)c1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c14cccc(Cl)c1Cl.c15ccccn1.O=C24.N23.C35 |
42048 | O=C(c1csc2c1CCCC2)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15csc2c1CCCC2.N13CCN4CC1.c14ncccn1.O=C35 |
42049 | CCOc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12 | [C][C][O][C][=C][C][=C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring1][=Ring1][#C] | c16cccc2cc7c(=O)oc12.N14CCOCC1.C47=O.CC5.O56 |
42051 | COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccncc1 | [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][=N][C][=C][Ring1][=Branch1] | c16cc8sc15.c18ccccc1.c17ccncc1.C36=O.C47=O.CO3.N45 |
42052 | Cc1noc(C)c1C(=O)N1CCN(c2ncccn2)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | Cc1noc(C)c15.N13CCN4CC1.c14ncccn1.C35=O |
42053 | O=C(Nc1ccc2c(c1)OCO2)c1c(F)cccc1F | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c14ccc2c(c1)OCO2.c15c(F)cccc1F.O=C35.N34 |
42054 | Cc1onc(-c2ccccc2)c1C(=O)N1CCC2(CC1)OCCO2 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.Cc1onc5c14.c15ccccc1.C34=O |
42055 | CCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][#C] | c15ccccc16.N16CCN3CC1.c17c(C)noc1C.C37=O.CC4.O45 |
42056 | O=C(c1cccc(Cl)c1Cl)N1CCOCC1 | [O][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c13cccc(Cl)c1Cl.N12CCOCC1.O=C23 |
42057 | Cc1ccc(C(=O)NCCc2ccc(F)cc2)s1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][P] | c16ccc(F)cc1.Cc1ccc5s1.C35=O.C4C6.N34 |
42059 | O=C(Nc1nnc(-c2ccncc2)s1)c1csc2c1CCCC2 | [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][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15csc2c1CCCC2.c14nnc6s1.c16ccncc1.O=C35.N34 |
42060 | O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccncc1 | [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][C][=N][C][=C][Ring1][=Branch1] | c13ccc(Cl)cc15.c14ccncc1.C5(F)(F)F.O=C24.N23 |
42061 | O=C(Nc1nnc(C(F)(F)F)s1)c1csc2c1CCCC2 | [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][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15csc2c1CCCC2.c14nnc6s1.C6(F)(F)F.O=C35.N34 |
42062 | CC(NC(=O)c1cccs1)c1ccc2c(c1)OCO2 | [C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15cccs1.CC46.C35=O.N34 |
42063 | CNS(=O)(=O)c1ccc(NC(=O)c2csc(C)c2)cc1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | S4(=O)(=O)c1ccc5cc1.c16csc(C)c1.C36=O.CN4.N35 |
42064 | O=C(Nc1ccccc1Cc1ccccc1)c1cnccn1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccccc15.c16ccccc1.c14cnccn1.O=C24.N23.C56 |
42065 | Cc1cc(C(=O)NC(C)c2ccc(C)c(C)c2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][O][Ring2][Ring1][C] | c16ccc(C)c(C)c1.Cc1cc5no1.C35=O.C46C.N34 |
42066 | Cc1sc(NC(=O)Cc2cccs2)c(C#N)c1C | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][S][C] | Cc1sc4c(C#N)c1C.c15cccs1.C3(=O)C5.N34 |
42067 | CC(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1 | [C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][=Ring1][=C] | c16c(F)cccc1Cl.c14ccn5n1.CC3=O.N34.C56 |
42068 | NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCc1ccccc1-2 | [N][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][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c16c4sc2c1CCc1ccccc1-2.C15CCCO1.NC6=O.C35=O.N34 |
42071 | O=C(Cc1c(F)cccc1Cl)Nc1nnc(C2CC2)s1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | c15c(F)cccc1Cl.c14nnc6s1.O=C3C5.C16CC1.N34 |
42072 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)o1 | [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][Branch1][C][C][O][Ring1][=Branch1] | c18cc4c5cc16.c17ccc(C)o1.C28=O.C37=O.CO2.O4C.O5C.N36 |
42073 | O=C(Nc1ccccn1)c1cc2c(s1)CCCC2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15cc2c(s1)CCCC2.c14ccccn1.O=C35.N34 |
42075 | COc1ccc(C(C)NC(=O)c2cccs2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S][O][C] | c14ccc8cc15.c17cccs1.C68C.C37=O.CO4.N36.O5C |
42077 | Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCC3)oc2ccccc12 | [C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1c6oc2ccccc12.c15sc2c(c17)CCC2.C46=O.C7(N)=O.N45 |
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