ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
26017 | CCc1ccccc1-n1c(SCC(=O)NC)nnc1-c1ccco1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc15.n15c6nnc17.c17ccco1.C3C2=O.CC4.S36.N2C |
26018 | CCc1ccc(-n2c(SCC(N)=O)nnc2-c2cccs2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc5cc1.n15c6nnc17.c17cccs1.C3C(N)=O.CC4.S36 |
26019 | Cc1ccc(C)c2nc(SCC(=O)N3CCCC3)c(C#N)cc12 | [C][C][=C][C][=C][Branch1][C][C][C][=N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=C][Ring2][Ring1][=Branch1][Ring1][P] | Cc1ccc(C)c2nc6c(C#N)cc12.N14CCCC1.C5C4=O.S56 |
26020 | NC(=O)CSc1nnc(-c2ccccc2)n1C1CCCCC1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1] | c15nnc6n14.c16ccccc1.C14CCCCC1.NC(=O)C3.S35 |
26021 | NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c16ccccc1.c14ccccc1.NC(=O)C3.S35 |
26022 | NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15nnc6n14.c14ccc(F)cc1.c16ccccc1.NC(=O)C3.S35 |
26023 | CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16c7nnc18.c18ccccc1.C15CCCC1.C4C3=O.CC6.S47.N35 |
26024 | CCn1c(CNc2c(C)cccc2C)nnc1SCC(N)=O | [C][C][N][C][Branch1][#C][C][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring1][#C][S][C][C][Branch1][C][N][=O] | c15c(C)cccc1C.n16c7nnc18.C4C(N)=O.CC6.C37.N35.S48 |
26026 | O=C(Nc1nccs1)c1ccc2nccnc2c1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14nccs1.O=C35.N34 |
26027 | COc1cccc(NC(=O)c2sc(NC(C)=O)nc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c15cccc7c1.c18sc6nc1C.C38=O.C4(C)=O.CO5.N37.N46 |
26029 | Cc1cccc2cc(C#N)c(SCC(=O)N3CCCC3)nc12 | [C][C][=C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1cccc2cc(C#N)c6nc12.N14CCCC1.C5C4=O.S56 |
26030 | Cc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)no1 | [C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][#N][=N][O][Ring2][Ring1][#Branch1] | c17nc2c(C)cccc2cc1C#N.Cc1cc6no1.C4(=O)C5.N46.S57 |
26031 | Cc1cccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc12 | [C][C][=C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1cccc2cc(C#N)c8nc12.C17CCCO1.C6C4=O.S68.N45.C57 |
26032 | Cc1nonc1NC(=O)CSc1nc2c(C)cccc2cc1C#N | [C][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][#N] | c16nc2c(C)cccc2cc1C#N.Cc1nonc15.C3(=O)C4.N35.S46 |
26033 | N#Cc1cnc(SCC(=O)N2CCCc3ccccc32)nc1N | [N][#C][C][=C][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring2][N] | N14CCCc2ccccc21.N#Cc1cnc6nc1N.C5C4=O.S56 |
26034 | Cc1ccc2cc(CNc3ccc(F)cc3)c(=O)[nH]c2c1 | [C][C][=C][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2cc6c(=O)[nH]c2c1.c15ccc(F)cc1.C46.N45 |
26035 | Cc1ccnc(SCC(=O)NC2CCCC2)n1 | [C][C][=C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][Ring1][S] | Cc1ccnc6n1.C15CCCC1.C4C3=O.S46.N35 |
26036 | O=C(Nc1cccc2ccccc12)c1cccc(-n2cnnn2)c1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O] | c14cccc2ccccc12.c15cccc6c1.n16cnnn1.O=C35.N34 |
26037 | O=C(Nc1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O] | c14ccc(Cl)cc1.c15cccc6c1.n16cnnn1.O=C35.N34 |
26039 | Nc1cc(N)nc(SCC(=O)NC2CCCC2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][Ring1][P] | Nc1cc(N)nc6n1.C15CCCC1.C4C3=O.S46.N35 |
26040 | CCn1nnnc1SCC(=O)Nc1ccc(C)cc1C | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c14ccc(C)cc1C.n15nnnc16.C3C2=O.CC5.S36.N24 |
26041 | Cn1cnnc1SCC(=O)NCc1ccccc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1cnnc16.c15ccccc1.C4C2=O.S46.N23.C35 |
26042 | Cn1cnnc1SCC(=O)NC1CCCCC1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cn1cnnc15.C14CCCCC1.C3C2=O.S35.N24 |
26043 | COC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c17ccc6cc1.c18nncn1C.C4(=O)C5.C37=O.CO3.N46.S58 |
26045 | CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][C] | n17c8nnc19.c15ccc6cc1.C4C3=O.C6(C)=O.C8(C)C.CC7.S49.N35 |
26046 | CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring2][Ring1][C][C][Branch1][C][C][C] | n17c8nnc19.c16ccc4cc1.C5C3=O.C8(C)C.CC7.S59.N36.O4C |
26047 | CC(C)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C] | c16ccc2c(c1)OCO2.c17nnc8n1C.C5C4=O.CC7C.S58.N46 |
26048 | CC(=O)c1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | c16ccc5cc1.c18nnc7n1C.C3(=O)C4.CC6=O.C7(C)C.N35.S48 |
26049 | Cn1nc(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] | Cn1nc6c2ccccc2c1=O.c15ccc2c(c1)CCC2.C6C4=O.N45 |
26050 | Cn1nc(CC(=O)NC2CCCc3ccccc32)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O] | Cn1nc5c2ccccc2c1=O.N4C1CCCc2ccccc21.C5C4=O |
26052 | CCn1nnnc1SCC(=O)c1ccc(Cl)cc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.n14nnnc15.C2C3=O.CC4.S25 |
26053 | CNC(=O)CSc1nnc(COc2ccc(C)cc2)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c15ccc(C)cc1.C3(=O)C6.CN3.S68.C47.O45 |
26054 | CNC(=O)CSc1nnc(COc2ccccc2C)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=C][C] | c18nnc7n1C.c15ccccc1C.C3(=O)C6.CN3.S68.C47.O45 |
26056 | Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=N][O][Ring2][Ring1][=Branch1] | c17nnc8n1C.Cc1cc6no1.c18ccccc1.C4(=O)C5.N46.S57 |
26057 | CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16c7nnc18.c15cc(C)on1.c18ccccc1.C4C3=O.CC6.S47.N35 |
26058 | COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1] | c17nc2ccccc2c(=O)n1C.c14ccc6cc1.C6(=O)C5.CO4.S57 |
26059 | CCc1nnc(SCC(=O)Nc2ccccc2OC)nc1CC | [C][C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][=C][Ring2][Ring1][Ring1][C][C] | c17nnc9nc18.c16ccccc14.C5C3=O.CC7.S59.N36.O4C.C8C |
26060 | CCc1nnc(SCC(=O)NC2CCCC2)nc1CC | [C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][S][C][C] | c16nnc8nc17.C15CCCC1.C4C3=O.CC6.S48.N35.C7C |
26061 | Cc1c(Cl)cccc1NC(=O)CSc1nncn1C | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C] | Cc1c4cccc1Cl.c15nncn1C.C2(=O)C3.N24.S35 |
26062 | COc1cccc(NC(=O)CSc2nncn2C)c1 | [C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][Ring1][P] | c14cccc6c1.c17nncn1C.C3(=O)C5.CO4.N36.S57 |
26063 | CCC(=O)N(CCO)Cc1cc2cc(CC)ccc2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c16cc2cc7ccc2[nH]c1=O.CCC3=O.N345.C4CO.C56.C7C |
26064 | CCC(=O)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c17cc2c(C)ccc(C)c2[nH]c1=O.c16ccco1.CCC3=O.N345.C46.C57 |
26065 | Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c16nc2ccccc2c(=O)n1C.Cc1ccccc15.C3(=O)C4.N35.S46 |
26066 | O=C(CSc1nnnn1-c1cccc(F)c1)NCc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccc(F)c1.c17nnnn16.c15ccccc1.O=C2C4.S47.N23.C35 |
26067 | CCc1cc2cccc(C)c2nc1SCC(=O)N1CCOCC1 | [C][C][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15cc2cccc(C)c2nc16.N13CCOCC1.C4C3=O.CC5.S46 |
26068 | Cc1nc(NC(=O)C2CC2)sc1C(=O)NCc1ccccc1 | [C][C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc6sc17.c19ccccc1.C38=O.C18CC1.C47=O.N36.N45.C59 |
26069 | CCC(=O)Nc1nc(C)c(C(=O)Nc2ccc3c(c2)CCC3)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][S][Ring2][Ring1][C] | c17ccc2c(c1)CCC2.c16nc(C)c8s1.CCC4=O.C58=O.N46.N57 |
26071 | Cc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1C | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1][C] | Cc1ccc2cc(C#N)c6nc2c1C.N14CCCC1.C5C4=O.S56 |
26075 | CCc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc5cc1.n15c6nnc17.c17cccnc1.C3C(N)=O.CC4.S36 |
26076 | CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring2][Ring1][C][C][Branch1][C][C][C] | c15c(C)cccc1C.n16c7nnc18.C4C3=O.C7(C)C.CC6.S48.N35 |
26077 | CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=N][N][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][C] | c15c(C)cc(C)cc1C.n16c7nnc18.C4C3=O.C7(C)C.CC6.S48.N35 |
26078 | CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.c18nnc9n1C.C4(=O)C5.C19CC1.CC7.N46.S58 |
26079 | Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C] | Cc1ccccc15.c16nnc7n1C.C3(=O)C4.C17CC1.N35.S46 |
26080 | CC(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c17cccc6c1.c18nnc9n1C.C4(=O)C5.CC7=O.C19CC1.N46.S58 |
26081 | Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1cc6cc(C)c1.c17nnc8n1C.C4(=O)C5.C18CC1.N46.S57 |
26082 | Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1cccc6c1.c17nnc8n1C.C4(=O)C5.C18CC1.N46.S57 |
26083 | CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15ccc(C)cc1.C4C3=O.C7(C)C.CC6.S48.N35 |
26084 | Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c6c1.c17nnc8n1C.C4(=O)C5.C18CC1.N46.S57 |
26085 | CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15cccc(C)c1.C4C3=O.C7(C)C.CC6.S48.N35 |
26086 | Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][C] | Cc1cccc6c1C.c17nnc8n1C.C4(=O)C5.C18CC1.N46.S57 |
26087 | Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc6cc1C.c17nnc8n1C.C4(=O)C5.C18CC1.N46.S57 |
26088 | CCc1cccc(CC)c1NC(=O)CSc1nnc(C2CC2)n1C | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C] | c16cccc7c15.c18nnc9n1C.C3(=O)C4.C19CC1.CC6.C7C.N35.S48 |
26089 | CN(C(=O)c1ccco1)c1nc(-c2ccc(F)cc2)cs1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c16ccc(F)cc1.c14nc6cs1.c15ccco1.CN34.C35=O |
26090 | O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | c16ccc(F)cc1.c14nc6cs1.c15ccco1.O=C35.N34 |
26092 | Cc1cnc(C(=O)Nc2nnc(C(C)C)s2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][=N][Ring1][P] | Cc1cnc5cn1.c14nnc6s1.C35=O.C6(C)C.N34 |
26093 | Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | Cn1c6nnc17.C14CCCCC1.c17ccco1.C5C3=O.S56.O34 |
26094 | NC(=O)CSc1nnc(-c2ccco2)n1CC1CCCO1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][C][O][Ring1][Branch1] | c16nnc7n14.c17ccco1.C15CCCO1.NC(=O)C3.S36.C45 |
26096 | CCn1c(SCC(=O)Nc2ccccc2C)nnc1C(C)C | [C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15ccccc1C.C4C3=O.C7(C)C.CC6.S48.N35 |
26097 | CCC(=O)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] | c17cc2cccc(C)c2[nH]c1=O.c16cccnc1.CCC3=O.N345.C46.C57 |
26098 | Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1c6nc2ccccc2c1=O.c15ccccc1.C4C3=O.S46.N35 |
26099 | CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CC1 | [C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O][C][C][C][Ring1][Ring1] | c16cc2cc(C)ccc2[nH]c1=O.CCC3=O.N345.C15CC1.C46 |
26100 | CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O][C][C][C][Ring1][Ring1] | c16cc2cc(C)ccc2[nH]c1=O.CC3=O.N345.C15CC1.C46 |
26101 | CC(Sc1nc(-c2cccnc2)n[nH]1)C(=O)Nc1ccccc1 | [C][C][Branch2][Ring1][Ring1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc7n[nH]1.c17cccnc1.c15ccccc1.CC4C3=O.S46.N35 |
26102 | CC(=O)Nc1cc(NC(=O)c2ccco2)ccc1C | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][C] | c15cc6ccc1C.c17ccco1.CC3=O.C47=O.N35.N46 |
26104 | NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 | [N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n13nc4nc15.c14ccccc1.c15ccccc1.NC(=O)C3 |
26106 | COc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.c19nnn7n1.c18ccccc1.C7C4=O.CO5.N46.C68 |
26107 | COc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c16ccc(C)cc1.c18nnn7n1.C7C4=O.CO5.N46 |
26108 | COc1ccc(-c2nnn(CC(=O)Nc3cccc(C)c3C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c16cccc(C)c1C.c15ccc8cc1.c18nnn7n1.C7C4=O.CO5.N46 |
26109 | COc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c18nnn7n1.c16ccccc1.C7C4=O.CO5.N46 |
26110 | COc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c16cccc(Cl)c1.c18nnn7n1.C7C4=O.CO5.N46 |
26111 | O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc1Cl.n15nnc6n1.c16ccccc1.O=C3C5.N34 |
26112 | CC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][Branch1] | c16cccc5c1.n17nnc8n1.c18ccccc1.C4(=O)C7.CC6=O.N45 |
26113 | CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] | c17ccc(Cl)cc1.c16nnc7o1.C3(=O)C5.CC4.O34.S56 |
26114 | CCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][C] | c15ccc6cc1C.c17cccs1.CCC3=O.C47=O.N35.N46 |
26115 | CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C] | c15ccc6cc1C.c17ccco1.CCC3=O.C47=O.N35.N46 |
26116 | Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1 | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1ccc5cc16.c17cccs1.c18ccco1.C37=O.C48=O.N35.N46 |
26117 | Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)C(C)C | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | Cc1ccc5cc16.c17cccs1.C4(=O)C(C)C.C37=O.N35.N46 |
26118 | Cc1c(Cl)cccc1-n1nnnc1-c1ccco1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | Cc1c2cccc1Cl.n12nnnc13.c13ccco1 |
26119 | Cc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.c16nnc5n14.c14ccccc1.C3C(N)=O.S35 |
26121 | Cc1ccc(NC(=O)Cn2cnc3ccccc32)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | n16cnc2ccccc21.Cc1ccc5cc1Cl.C4(=O)C6.N45 |
26122 | Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | n16nnc2ccccc21.Cc1ccc5cc1Cl.C4(=O)C6.N45 |
26124 | c1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | n14c5nnc16.c1ccc4cc1.c16ccncc1.c15cccs1 |
26125 | Cc1ccc(S(=O)(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S4(=O)=O)cc1.c15ccc(C)c6c1.n16cnnn1.N45 |
26126 | Cc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4cc1.n14c5nnc16.c16ccncc1.c15ccco1 |
26127 | c1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | n14c5nnc16.c1ccc4cc1.c16ccncc1.c15ccco1 |
26128 | COC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n15.c17cccnc1.c15ccccc1.C3(=O)C4.CO3.S46 |
26129 | CCc1nc2ccccc2c(C(=O)NCc2ccco2)c1C | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C] | c16nc2ccccc2c5c1C.c17ccco1.C35=O.CC6.N34.C47 |
26130 | NC(=O)CSc1nnc(COc2cccc3ccccc23)o1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][P] | c15cccc2ccccc12.c18nnc7o1.NC(=O)C6.S68.C47.O45 |
26131 | O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c16nnc7o1.c17cccnc1.O=C3C4.S46.N35 |
26132 | NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] | c15ccc(Cl)cc1.c14nnc5o1.NC(=O)C3.S34 |
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