ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
6115 | Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(CC#N)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)c(C#N)c7n1.c15ccc6cc1.C4C3=O.C6C#N.S47.N35 |
6116 | O=C(CC(C(=O)c1ccccc1)n1cccn1)c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2CC4C3=O.c13ccccc1.c12ccccc1.n14cccn1 |
6118 | CCn1c(NCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccccn1.CC5.N34.C36 |
6119 | CCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccco1.CC5.N34.C36 |
6122 | NC(=O)c1cnn2c1NCC=C2c1cccc(C(F)(F)F)c1 | [N][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][N][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c13cnn2c1NCC=C2c1cccc4c1.C4(F)(F)F.NC3=O |
6123 | COc1ccc(C)cc1NC(=O)c1nn(C)cc1Br | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br] | c13ccc(C)cc14.c15nn(C)cc1Br.C25=O.CO3.N24 |
6124 | CC(=O)N(C)c1cccc(-c2ccc3nnc(C)n3n2)c1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][P][C][C][=C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][=Ring1][#Branch2][=C][Ring1][S] | c16ccc2nnc(C)n2n1.c15cccc6c1.CC4=O.N45C |
6125 | CCOC(=O)c1[nH]c(COC(C)=O)c(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Ring1][=N][C] | c16[nH]c8c7c1C.C26=O.C3(C)=O.C7(C)=O.CC4.O24.C58.O35 |
6126 | CCOC(=O)C(C#N)C(c1ccco1)c1ccccc1OC | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C2(=O)C(C#N)C56.c16ccccc14.c15ccco1.CC3.O23.O4C |
6127 | CCCn1c2ccccc2c2nnc(SCC(N)=O)nc21 | [C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][Ring1][O][Ring2][Ring1][C] | n14c2ccccc2c2nnc5nc21.C3C(N)=O.CCC4.S35 |
6128 | O=C(Nc1ccccc1F)c1ccc2ncsc2c1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2ncsc2c1.c14ccccc1F.O=C35.N34 |
6129 | CCCn1c2ccccc2c2nnc(SCC(=O)OC)nc21 | [C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][N][=C][Ring1][N][Ring2][Ring1][Ring1] | n15c2ccccc2c2nnc6nc21.C4C3=O.CCC5.S46.O3C |
6131 | O=C(Nc1ccc(F)cc1)c1ccc2ncsc2c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2ncsc2c1.c14ccc(F)cc1.O=C35.N34 |
6132 | CCCc1nnc(NC(=O)CSc2nncn2C)s1 | [C][C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][S][Ring1][S] | c16nnc5s1.c17nncn1C.C3(=O)C4.CCC6.N35.S47 |
6133 | COC(=O)CCC(=O)c1oc2ccc(Br)cc2c1N | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N] | c14oc2ccc(Br)cc2c1N.C3(=O)CCC4=O.CO3 |
6134 | Cn1cnnc1SCC(=O)Nc1ccc(Cl)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.Cn1cnnc15.C3C2=O.S35.N24 |
6135 | COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c17ccc2ncsc2c1.c15ccc6cc1.C47=O.CO5.N46 |
6136 | O=C(NCc1ccccc1)c1ccc2ncsc2c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2ncsc2c1.c16ccccc1.O=C35.N34.C46 |
6137 | Cc1onc(-c2ccccc2)c1CNC(=O)C1CCCCC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] | Cc1onc7c16.c17ccccc1.C15CCCCC1.C35=O.C46.N34 |
6138 | Cc1onc(-c2ccccc2)c1CNC(=O)C1CC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | Cc1onc7c16.c17ccccc1.C35=O.C15CC1.C46.N34 |
6139 | COc1ccc(C(=O)NCc2c(-c3ccccc3)noc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc7cc1.c18c9noc1C.c19ccccc1.C47=O.CO5.N46.C68 |
6140 | Cc1onc(-c2ccccc2)c1CNC(=O)c1ccco1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1onc7c16.c17ccccc1.c15ccco1.C35=O.C46.N34 |
6141 | Cc1onc(-c2ccccc2)c1CNC(=O)c1cc2ccccc2o1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.Cc1onc7c16.c17ccccc1.C35=O.C46.N34 |
6142 | Cc1cc(C(=O)NCc2c(-c3ccccc3)noc2C)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=N][O][Ring2][Ring1][Branch1] | c17c8noc1C.Cc1cc6no1.c18ccccc1.C46=O.N45.C57 |
6143 | Cc1onc(-c2ccccc2)c1CNC(=O)C1CCC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2] | Cc1onc7c16.c17ccccc1.C15CCC1.C35=O.C46.N34 |
6144 | Cc1onc(-c2ccccc2)c1CNC(=O)c1ccccc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1onc7c16.c17ccccc1.c15ccccc1.C35=O.C46.N34 |
6147 | Cc1noc(C)c1S(=O)(=O)NCc1c(-c2ccccc2)noc1C | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | Cc1noc(C)c1S4(=O)=O.c15c6noc1C.c16ccccc1.N34.C35 |
6148 | Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cccs1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S4(=O)(=O)c1cccs1.Cc1onc6c15.c16ccccc1.C35.N34 |
6149 | COc1cccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c16cccc7c1.N14CCN5CC1.c18cccc(F)c1.C47=O.C58=O.CO6 |
6150 | Cc1onc(-c2ccccc2)c1CNC(=O)Nc1ccccc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1onc8c17.c18ccccc1.c16ccccc1.C34=O.C57.N35.N46 |
6152 | COc1cccc(NC(=O)NCc2c(-c3ccccc3)noc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c16cccc8c1.c19c%10noc1C.c1%10ccccc1.C45=O.CO6.N48.N57.C79 |
6153 | COc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.N14CCN5CC1.c18ccc(F)cc1.C47=O.C58=O.CO6 |
6154 | Cc1onc(-c2ccccc2)c1CNC(=O)Nc1ccc(F)cc1F | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c16ccc(F)cc1F.Cc1onc8c17.c18ccccc1.C34=O.C57.N35.N46 |
6155 | CC(=O)N1CCC(C(=O)NCc2c(-c3ccccc3)noc2C)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][C][C][Ring2][Ring1][=Branch1] | N14CCC7CC1.c18c9noc1C.c19ccccc1.CC4=O.C57=O.N56.C68 |
6157 | COc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.N14CCN5CC1.c18cccc(F)c1.C47=O.C58=O.CO6 |
6158 | COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.N14CCN5CC1.c18ccccc1F.C47=O.C58=O.CO6 |
6159 | CC(=O)N1CCC(C(=O)Nc2nc3ccc(Cl)cc3s2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] | c16nc2ccc(Cl)cc2s1.N14CCC7CC1.CC4=O.C57=O.N56 |
6161 | CC(=O)N1CCC(C(=O)Nc2ccc3nc(C)ccc3c2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][C][Ring2][Ring1][Ring2] | c16ccc2nc(C)ccc2c1.N14CCC7CC1.CC4=O.C57=O.N56 |
6162 | COc1cccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][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][=Branch1] | c16cccc7c1.N14CCN5CC1.c18cccnc1.C47=O.C58=O.CO6 |
6163 | COc1cccc(OC)c1C(=O)N1CCN(C(=O)CC(C)C)CC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N] | c14cccc5c16.N12CCN3CC1.C3(=O)CC(C)C.C26=O.CO4.O5C |
6164 | CC(=O)N1CCC(C(=O)NCc2cc3ccccc3s2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c18cc2ccccc2s1.N14CCC7CC1.CC4=O.C57=O.N56.C68 |
6165 | CC(=O)N1CCC(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Branch1] | N14CCC7CC1.c18ccc9cc1.n19cccn1.CC4=O.C57=O.N56.C68 |
6166 | CC(=O)N1CCC(C(=O)Nc2ccc(-c3cnco3)cc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring2] | N14CCC7CC1.c16ccc8cc1.c18cnco1.CC4=O.C57=O.N56 |
6168 | CCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16ccc7cc1.C18CCN4CC1.C38=O.C4(C)=O.CC5.O56.N37 |
6169 | CCC(Sc1ncccn1)C(=O)Nc1cc(C)on1 | [C][C][C][Branch1][#Branch2][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | CCC3C2=O.c15ncccn1.c14cc(C)on1.S35.N24 |
6170 | O=S(=O)(c1cccc2nonc12)N1CCCC1c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1cccc2nonc12.c14ccc(F)cc1.N13CCCC14 |
6171 | O=C(Oc1ccc(Cl)c2cccnc12)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.N14CCOCC1.O=C34.O35 |
6172 | O=S(=O)(c1ccc(F)cc1)n1nc(C(F)(F)F)c2cnccc21 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=N] | O=S(=O)(c1ccc(F)cc1)n1nc3c2cnccc21.C3(F)(F)F |
6173 | CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | S6(=O)(=O)c1cc(C)c(C)cc1C.N14CCN6CC1.C34=O.CC5.O35 |
6174 | Cc1ccc(S(=O)(=O)n2nc(C(F)(F)F)c3cnccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S(=O)(=O)n2nc4c3cnccc32)cc1.C4(F)(F)F |
6176 | O=C(Oc1ccc(Cl)c2cccnc12)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.N14CCCCC1.O=C34.O35 |
6178 | O=S(=O)(c1ccccc1)N1CCCC1c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1ccccc1.N12CCCC13.c13cccnc1 |
6179 | O=C(NC1c2ccccc2-c2ccccc21)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | N3C1c2ccccc2-c2ccccc21.c14ccco1.O=C34 |
6180 | Cn1ccnc1SCc1ccc(Br)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.Cn1ccnc14.S24.C23 |
6181 | O=S(=O)(c1ccc(Cl)cc1)N1CCCC1c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)cc1.N12CCCC13.c13cccnc1 |
6182 | Cn1ccnc1SCC(=O)Nc1ccc(Cl)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.Cn1ccnc15.C3C2=O.S35.N24 |
6183 | Cc1ccc(S(=O)(=O)N2CCCC2c2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S3(=O)=O)cc1.N13CCCC14.c14cccnc1 |
6184 | Cn1c2ccccc2c2nnc(SCC(=O)NC3CCCC3)nc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][S][Ring2][Ring1][#Branch1] | Cn1c2ccccc2c2nnc7nc21.C16CCCC1.C5C4=O.S57.N46 |
6185 | Cc1cccc(NC(=O)CSc2nccn2C)c1 | [C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring1][P] | Cc1cccc5c1.c16nccn1C.C3(=O)C4.N35.S46 |
6186 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c14ccc2c(c1)OCCO2.c15ccc6cc1.C6(F)(F)F.O=C35.N34 |
6187 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c16ccc(S5(=O)=O)cc1.c17ccccc1F.C34=O.CO3.N46.N57 |
6188 | O=C1CC(n2nnnc2-c2ccccc2Cl)C2COC1O2 | [O][=C][C][C][Branch1][P][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][C][Ring2][Ring1][Ring1][O][Ring1][Branch1] | O=C1CC3C2COC1O2.c14ccccc1Cl.n13nnnc14 |
6190 | Cn1nnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c15ccc3cc1.Cn1nnnc16.O3C(F)(F)F.C4C2=O.S46.N25 |
6192 | COC(=O)c1cc(O)n(-c2ccccc2C(F)(F)F)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][O][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=Ring1][S] | c14cc(O)n6n1.c16ccccc15.C5(F)(F)F.C34=O.CO3 |
6193 | COC(=O)c1nnn(-c2cc(Cl)cc(Cl)c2)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][C][=Branch1][C][=O][O][C] | c17cc(Cl)cc(Cl)c1.c15nnn7c16.C35=O.C46=O.CO3.O4C |
6194 | COC(=O)c1cc(O)n(-c2cc(Cl)cc(Cl)c2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][O][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=Ring1][=C] | c15cc(Cl)cc(Cl)c1.c14cc(O)n5n1.C34=O.CO3 |
6195 | COc1ccc2oc(=O)c(C(=O)NC(C)c3ccccc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc(=O)c7cc2c1.c18ccccc1.C47=O.C68C.CO5.N46 |
6198 | COC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][C][=Branch1][C][=O][O][C] | c17ccc(F)c(Cl)c1.c15nnn7c16.C35=O.C46=O.CO3.O4C |
6199 | CCOc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch1] | c19cc2cc7ccc2oc1=O.c16ccc8cc1.C49=O.CC5.O56.N48.O7C |
6200 | CCOC(=O)c1nnn(-c2ccccc2Cl)c1N | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][N] | c15nnn6c1N.c16ccccc1Cl.C35=O.CC4.O34 |
6201 | CCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1N | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][N] | c16c(Cl)cccc1Cl.c15c6noc1N.C35=O.CC4.O34 |
6202 | CCOC(=O)c1c(NC(C)=O)nc(SC)n1Cc1cccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][=C][Branch1][Ring1][S][C][N][Ring1][O][C][C][=C][C][=C][S][Ring1][Branch1] | c16c5nc9n17.c18cccs1.C26=O.C3(C)=O.CC4.O24.N35.S9C.C78 |
6203 | Nc1nnnn1NCc1ccccc1OCc1ccc(F)cc1 | [N][C][=N][N][=N][N][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Nc1nnnn1NC4.c14ccccc13.c15ccc(F)cc1.O23.C25 |
6205 | CCOC(=O)c1c(N)nc(SC)n1Cc1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][=C][Branch1][Ring1][S][C][N][Ring1][Branch2][C][C][=C][C][=C][O][Ring1][Branch1] | c14c(N)nc7n15.c16ccco1.C24=O.CC3.O23.S7C.C56 |
6206 | Cc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1 |
6207 | COc1ccc(Cl)cc1S(=O)(=O)n1c(C)nc2ccccc21 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c13ccc(Cl)cc1S(=O)(=O)n1c(C)nc2ccccc21.CO3 |
6210 | COc1ccc(-c2nnn(Cc3ccccn3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring1][N][C][=C][Ring2][Ring1][C] | c14ccc7cc1.c17nnn5n1.c16ccccn1.CO4.C56 |
6211 | Fc1ccccc1-c1nnn(Cc2ccccn2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring1][N] | Fc1ccccc15.c15nnn3n1.c14ccccn1.C34 |
6214 | Cc1ccc(C2CC(=O)c3cnc(N4CCOCC4)nc3C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | C16CC(=O)c2cnc5nc2C1.Cc1ccc6cc1.N15CCOCC1 |
6215 | CCOC(=O)COc1cccc(NC(=O)c2ccccc2C)c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c17cccc8c1.c19ccccc1C.C3(=O)C6.C49=O.CC5.O35.O67.N48 |
6218 | CSc1nsc(SC)c1C(=O)NC(C)C | [C][S][C][=N][S][C][Branch1][Ring1][S][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c15nsc6c14.C24=O.C3(C)C.CS5.S6C.N23 |
6219 | C=C(C)c1cccc(C(C)(C)NC(=O)NCCc2ccncc2)c1 | [C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | C=C(C)c1cccc7c1.c18ccncc1.C57(C)C.C34=O.C6C8.N35.N46 |
6220 | Cc1cccc(C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][S][=C][Ring2][Ring1][Branch2] | N14CCCN5CC1.Cc1cccc6c1.c17cccc(C)c1.C46=O.C57=O |
6222 | CN(C)C(=O)Oc1cccc(NC(=O)c2c(F)cccc2F)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][P] | c18c(F)cccc1F.c16cccc7c1.CN4C.C34=O.C58=O.O36.N57 |
6223 | CCOC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c17ccc6cc1.n15nnc7n1.C3(=O)C5.C6(F)(F)F.CC4.O34 |
6224 | Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1 | [C][C][=C][C][Branch1][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][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(C)c1.n16nnc7n1.c17ccccc1.C4(=O)C6.N45 |
6226 | OCc1nnn(-c2ccc(Br)cc2)c1CO | [O][C][C][N][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][N][C][O] | c13nnn5c14.c15ccc(Br)cc1.OC3.C4O |
6227 | CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c19ccc2c(c1)OCCO2.c18ccc7cc1.C48=O.C59=O.CC6.O46.N57 |
6228 | COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc2c(c1)OCCO2.c15ccc6cc1.C47=O.CO5.N46 |
6229 | Cc1cc(C)nc(SCC(=O)NC2CCCCC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc6n1.C15CCCCC1.C4C3=O.S46.N35 |
6230 | Cc1nnsc1-c1nc(CSc2ccccn2)no1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=N][C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][=N] | Cc1nnsc16.c16nc4no1.c15ccccn1.C34.S35 |
6231 | COc1cccc(Oc2nnnn2-c2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c14cccc5c1.c13nnnn16.c16ccccc1.CO4.O35 |
6232 | c1ccc(-n2nnnc2-n2cnc3ccccc32)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=N][N][=C][Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n14cnc2ccccc21.c1ccc5cc1.n15nnnc14 |
6233 | Cn1c(=O)c2c(ncn2CC(=O)NC(C)(C)C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.C5C3=O.C4(C)(C)C.N34 |
6234 | COc1ccc2nc(Nc3ncc4c(n3)CCCC4=O)nc(C)c2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][N][=C][Branch1][C][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c15ccc2nc6nc(C)c2c1.c17ncc2c(n1)CCCC2=O.CO5.N67 |
6235 | CC(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | CC(CC2=O)S(=O)(=O)c1ccc(Cl)cc1.c13ccccc1.N23 |
6236 | CCc1nnc(NC(=O)CSc2nc3c(C)cccc3[nH]2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][S][Ring2][Ring1][Ring2] | c18nc2c(C)cccc2[nH]1.c17nnc6s1.C4(=O)C5.CC7.N46.S58 |
6237 | CC1c2snnc2-c2cc(Cl)ccc2S1(=O)=O | [C][C][C][S][N][=N][C][=Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][=C][=Branch1][C][=O][=O] | CC1c2snnc2-c2cc(Cl)ccc2S1(=O)=O |
6238 | CC1(C)CC(=O)c2cnc(NC3OC(=O)c4ccccc43)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][C][N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][Ring1][P][C][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)c2cnc5nc2C1.N5C1OC(=O)c2ccccc21 |
6239 | O=S1(=O)Cc2snnc2-c2cc(Cl)ccc21 | [O][=S][=Branch1][C][=O][C][C][S][N][=N][C][=Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#C] | O=S1(=O)Cc2snnc2-c2cc(Cl)ccc21 |
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