ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
28227 | CCOc1cccc2cc(C(=O)NCc3ccco3)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][O][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=Ring1][S] | c16cccc2cc8c(=O)oc12.c19ccco1.C48=O.CC5.O56.N47.C79 |
28228 | COc1ccc2oc(=O)c(C(=O)Nc3cc(F)ccc3C)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc(=O)c7cc2c1.c16cc(F)ccc1C.C47=O.CO5.N46 |
28229 | COc1ccc2oc(=O)c(C(=O)NCc3ccc(F)cc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc(=O)c7cc2c1.c18ccc(F)cc1.C47=O.CO5.N46.C68 |
28230 | COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2oc1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c16cc2ccccc2oc1=O.c14ccc(Cl)cc15.C36=O.CO4.N35 |
28232 | COc1ccc2oc(=O)c(C(=O)Nc3c(F)cccc3F)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc(=O)c7cc2c1.c16c(F)cccc1F.C47=O.CO5.N46 |
28233 | O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2oc1=O | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Cl)ccc2oc1=O.c16ccc(F)cc1.O=C35.N34.C46 |
28237 | O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15c(=O)[nH]c2ccccc2c1=O.c16ccco1.O=C3C5.N34.C46 |
28238 | O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)[nH]c2ccccc2c1=O.c16ccccc1.O=C3C5.C4C6.N34 |
28239 | O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n15c(=O)[nH]c2ccccc2c1=O.c16ccc(Cl)cc1.O=C3C5.N34.C46 |
28240 | CC(C)CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | n15c(=O)[nH]c2ccccc2c1=O.CC(C)CC4.C3(=O)C5.N34 |
28241 | Cc1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch1] | n16c(=O)[nH]c2ccccc2c1=O.Cc1ccc7cc1.C4(=O)C6.C57.N45 |
28242 | O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CCCC1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][C][C][Ring1][Branch1] | n15c(=O)[nH]c2ccccc2c1=O.C14CCCC1.O=C3C5.N34 |
28243 | CCC(C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | n15c(=O)[nH]c2ccccc2c1=O.CCC4C.C3(=O)C5.N34 |
28244 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15c(=O)[nH]c2ccccc2c1=O.O=C3CC5.c16ccco1.N34.C46 |
28246 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15c(=O)[nH]c2ccccc2c1=O.c16cccnc1.O=C3CC5.N34.C46 |
28248 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCC1=CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | n15c(=O)[nH]c2ccccc2c1=O.C4CC1=CCCCC1.O=C3CC5.N34 |
28249 | CC1CCC(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | [C][C][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][#Branch1] | n16c(=O)[nH]c2ccccc2c1=O.CC1CCC5CC1.C4(=O)CC6.N45 |
28253 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][C][C][Ring1][=Branch1] | n14c(=O)[nH]c2ccccc2c1=O.N13CCCCC1.O=C3CC4 |
28254 | O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][C][C][Ring1][Branch1] | n15c(=O)[nH]c2ccccc2c1=O.O=C3CCC5.C14CCCC1.N34 |
28255 | O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CC1 | [O][=C][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][Ring1][Ring1] | n15c(=O)[nH]c2ccccc2c1=O.O=C3CCC5.C14CC1.N34 |
28256 | CCOc1cc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2cc1OCC | [C][C][O][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C] | c16cc2[nH]c(=O)n8c(=O)c2cc17.c19ccccc1.CC4.O46.C89.O57.C5C |
28257 | CCOc1cc2[nH]c(=O)n(CCC(C)C)c(=O)c2cc1OCC | [C][C][O][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][=N][C][=C][Ring1][P][O][C][C] | c15cc2[nH]c(=O)n7c(=O)c2cc16.C7CC(C)C.CC3.O35.O46.C4C |
28258 | CN(Cc1ccccc1)C(=O)CCn1c(=O)[nH]c2ccccc2c1=O | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | n15c(=O)[nH]c2ccccc2c1=O.c16ccccc1.C3(=O)CC5.CN34.C46 |
28259 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][C][Ring1][Branch1] | n14c(=O)[nH]c2ccccc2c1=O.O=C3CC4.N13CCCC1 |
28260 | COc1ccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch1] | n17c(=O)[nH]c2ccccc2c1=O.c15ccc6cc1.C4(=O)CC7.CO5.N46 |
28262 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)[nH]c2ccccc2c1=O.c14ccccc1.O=C3CC5.N34 |
28263 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n14c(=O)[nH]c2ccccc2c1=O.N13CCc2ccccc21.O=C3CC4 |
28264 | O=C1CCCN1CCCn1c(=O)[nH]c2ccccc2c1=O | [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | n13c(=O)[nH]c2ccccc2c1=O.O=C1CCCN14.C4CC3 |
28265 | Cc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Branch2] | n16c(=O)[nH]c2ccccc2c1=O.Cc1cccc5c1.C4(=O)CCC6.N45 |
28266 | O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NC1CCCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1] | n15c(=O)[nH]c2ccccc2c1=O.C14CCCCCC1.O=C3CC5.N34 |
28267 | CC(C)CCNC(=O)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][Ring1][=N][=C][Ring1][P] | c16ccc2c(=O)n7c(=O)[nH]c2c1.CC(C)CC5.C17CCCC1.C46=O.N45 |
28268 | CCC(C)NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][Ring1][=N][=C][Ring1][P] | c16ccc2c(=O)n7c(=O)[nH]c2c1.C17CCCC1.CCC5C.C46=O.N45 |
28272 | Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3F)c(=O)oc12 | [C][C][=N][C][=C][Branch1][Ring1][C][O][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch1][=Ring1][P] | Cc1ncc7c2cc6c(=O)oc12.c15ccccc1F.C46=O.C7O.N45 |
28273 | Cc1ncc(CO)c2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)oc12 | [C][C][=N][C][=C][Branch1][Ring1][C][O][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch1][=Ring1][P] | Cc1ncc7c2cc6c(=O)oc12.c15ccc(Cl)cc1.C46=O.C7O.N45 |
28274 | Cc1cc(C)cc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][Ring1][=N][=O][=C][Ring2][Ring1][Branch2] | c16cc2c7cnc(C)c2oc1=O.Cc1cc5cc(C)c1.C46=O.N45.C7O |
28275 | Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][Ring1][=N][=O][=C][Ring2][Ring1][#Branch1] | c16cc2c7cnc(C)c2oc1=O.Cc1cccc5c1.C46=O.N45.C7O |
28276 | Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3Cl)c(=O)oc12 | [C][C][=N][C][=C][Branch1][Ring1][C][O][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch1][=Ring1][P] | Cc1ncc7c2cc6c(=O)oc12.c15ccccc1Cl.C46=O.C7O.N45 |
28277 | CCc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1] | c16cc2c8cnc(C)c2oc1=O.c17ccc5cc1.C46=O.CC7.N45.C8O |
28278 | CNc1nnc(-c2cc3ccccc3oc2=O)s1 | [C][N][C][=N][N][=C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][S][Ring1][S] | c15cc2ccccc2oc1=O.c14nnc5s1.CN4 |
28279 | CC(=O)Nc1nc(-c2cc3ccccc3oc2=O)c(C)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=C][Branch1][C][C][S][Ring1][P] | c16cc2ccccc2oc1=O.c15nc6c(C)s1.CC4=O.N45 |
28280 | CCc1sc(NC(C)=O)nc1-c1cc2ccccc2oc1=O | [C][C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c16cc2ccccc2oc1=O.c15sc4nc16.C3(C)=O.CC5.N34 |
28282 | CC(=O)Nc1c(C(=O)NCc2ccccc2)nnn1-c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c7nnn19.c18ccccc1.c19ccccc1.CC3=O.C47=O.N36.N45.C58 |
28294 | Cc1cccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][N][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][N][=C][Ring2][Ring1][#Branch1] | Cc1cccc8c1.n18nnc6c1N.c17ccc(Cl)cc1.C46=O.N45.C57 |
28295 | Cc1cccc(-n2nnc(C(=O)NC3CCCc4ccccc43)c2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][N][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch2] | N5C1CCCc2ccccc21.Cc1cccc7c1.n17nnc6c1N.C56=O |
28296 | Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][N][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1] | Cc1cc7cc(C)c1.n17nnc6c1N.c15ccc(F)cc1.C46=O.N45 |
28299 | Cc1cccc(-n2nnc(C(=O)NC3CCCC3)c2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][N][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][N][=C][Ring2][Ring1][Ring2] | Cc1cccc7c1.n17nnc6c1N.C15CCCC1.C46=O.N45 |
28302 | Cc1cc(C)cc(-n2nnc(C(=O)NC(C)C)c2N)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][N][N][=N][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring1][O][N][=C][Ring2][Ring1][Ring1] | Cc1cc6cc(C)c1.n16nnc5c1N.C35=O.C4(C)C.N34 |
28303 | Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccccc3F)c2N)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][N][N][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1] | Cc1cc7cc(C)c1.n17nnc6c1N.c15ccccc1F.C46=O.N45 |
28305 | Nc1c(C(=O)NC2CCCC2)nnn1-c1cccc(C(F)(F)F)c1 | [N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=N][N][Ring1][=N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Nc1c5nnn17.c17cccc6c1.C14CCCC1.C6(F)(F)F.C35=O.N34 |
28306 | CC(C)NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Ring1][#C][N] | c15nnn7c1N.c17cccc6c1.C6(F)(F)F.CC4C.C35=O.N34 |
28307 | COc1ccccc1-n1nnc(C(=O)Nc2ccccc2)c1N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][N] | c14ccccc17.n17nnc6c1N.c15ccccc1.C36=O.CO4.N35 |
28311 | O=C1CN(c2ccccc2)S(=O)(=O)c2ccccc2N1 | [O][=C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1] | O=C1CN3S(=O)(=O)c2ccccc2N1.c13ccccc1 |
28312 | CC12CC(NC(=O)N1c1ccccc1)c1ccccc1O2 | [C][C][C][C][Branch1][P][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | CC12CC(NC(=O)N13)c1ccccc1O2.c13ccccc1 |
28313 | COc1cccc2c1OC1(C)CC2NC(=O)N1c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccc2c1OC1(C)CC2NC(=O)N14.c14ccccc1.CO3 |
28314 | CC12CC(NC(=O)N1c1ccccc1)c1cc(Cl)ccc1O2 | [C][C][C][C][Branch1][P][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Branch1] | CC12CC(NC(=O)N13)c1cc(Cl)ccc1O2.c13ccccc1 |
28315 | Cc1nc2c3ccccc3nc(SCc3ccncc3)n2n1 | [C][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][O][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] | Cc1nc2c3ccccc3nc6n2n1.c15ccncc1.S46.C45 |
28316 | C=CCn1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O] | n14c5nc2ccccc2c1=O.C3C(=O)C(C)(C)C.C=CC4.S35 |
28317 | CSc1nc2ccccc2c(=O)n1Cc1cccs1 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][S][Ring1][Branch1] | c15nc2ccccc2c(=O)n13.c14cccs1.CS5.C34 |
28318 | O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][Ring1][Ring1][N][C][C][C][C][C][Ring1][Branch1] | c17nc2ccccc2c(=O)n16.C15CCCC1.O=C3C4.C16CC1.S47.N35 |
28319 | CCOC(=O)CSc1nc2ccsc2c(=O)n1CC | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C] | c17nc2ccsc2c(=O)n16.C3(=O)C5.CC4.O34.S57.C6C |
28320 | O=C(CCCn1nnc2ccccc2c1=O)NC1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][Ring1][Branch1] | n15nnc2ccccc2c1=O.O=C3CCC5.C14CCCC1.N34 |
28321 | O=C(CCCn1nnc2ccccc2c1=O)NCc1cccnc1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15nnc2ccccc2c1=O.O=C3CCC5.c16cccnc1.N34.C46 |
28322 | O=C(CCCn1nnc2ccccc2c1=O)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15nnc2ccccc2c1=O.O=C3CCC5.c16ccco1.N34.C46 |
28323 | O=C(CCCn1nnc2ccccc2c1=O)NCC1CCCO1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][O][Ring1][Branch1] | n15nnc2ccccc2c1=O.O=C3CCC5.C16CCCO1.N34.C46 |
28325 | O=C(CCn1nnc2ccccc2c1=O)NCc1ccco1 | [O][=C][Branch2][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15nnc2ccccc2c1=O.O=C3CC5.c16ccco1.N34.C46 |
28326 | NC(=O)C1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Branch1] | n16nnc2ccccc2c1=O.C15CCN4CC1.C4(=O)CC6.NC5=O |
28327 | O=C(Cn1nnc2ccccc2c1=O)NC1CCCC1 | [O][=C][Branch1][P][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][Ring1][Branch1] | n15nnc2ccccc2c1=O.C14CCCC1.O=C3C5.N34 |
28328 | O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(F)cc1 | [O][=C][Branch1][P][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15nnc2ccccc2c1=O.c16ccc(F)cc1.O=C3C5.N34.C46 |
28329 | O=C(Cn1nnc2ccccc2c1=O)NCc1cccc(Cl)c1 | [O][=C][Branch1][P][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | n15nnc2ccccc2c1=O.c16cccc(Cl)c1.O=C3C5.N34.C46 |
28330 | O=C(Cn1nnc2ccccc2c1=O)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][P][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | n15nnc2ccccc2c1=O.c16ccc2c(c1)OCO2.O=C3C5.N34.C46 |
28331 | COc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n16nnc2ccccc2c1=O.c14ccccc17.C3(=O)C6.CO4.C57.N35 |
28333 | Fc1ccc(N2CCN(c3nc4cccnc4s3)CC2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15nc2cccnc2s1.Fc1ccc6cc1.N16CCN5CC1 |
28334 | O=C(NCc1cccnc1)c1cccn2c(=O)c3ccccc3nc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O] | c16cccn2c(=O)c3ccccc3nc12.c17cccnc1.O=C46.N45.C57 |
28335 | O=C(NC1CCCC1)c1cccn2c(=O)c3ccccc3nc12 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O] | c16cccn2c(=O)c3ccccc3nc12.C15CCCC1.O=C46.N45 |
28338 | O=C(NC1CCCCC1)c1cccn2c(=O)c3ccccc3nc12 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O] | c16cccn2c(=O)c3ccccc3nc12.C15CCCCC1.O=C46.N45 |
28339 | O=C(NCc1cccs1)c1cccn2c(=O)c3ccccc3nc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O] | c16cccn2c(=O)c3ccccc3nc12.c17cccs1.O=C46.N45.C57 |
28340 | O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2nc3ccccc3c(=O)n2c1.N14CCCCC1.O=C45 |
28342 | O=C(c1ccc2nc3cc(Cl)ccc3c(=O)n2c1)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=Ring1][S][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2nc3cc(Cl)ccc3c(=O)n2c1.N14CCOCC1.O=C45 |
28343 | O=C(c1ccc2nc3cc(Cl)ccc3c(=O)n2c1)N1CCCCC1 | [O][=C][Branch2][Ring1][O][C][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=Ring1][S][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2nc3cc(Cl)ccc3c(=O)n2c1.N14CCCCC1.O=C45 |
28344 | CC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][P] | c17ccc(F)cc1.c16nnc8s1.C5C4=O.CC3=O.N36.S58.N47 |
28348 | CCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 | [C][C][C][Branch1][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ncnc2c1cnn25.c15ccc(Cl)cc1.CCC3C.N34 |
28356 | Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | n18ncc2c6ncnc21.Cc1ccc8c(C)c1.c17ccco1.N56.C57 |
28357 | COc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][O][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc8cc15.c18cc7no1.C37=O.C6(C)C.CO4.N36.O5C |
28358 | COc1ccc(-c2cc(C(=O)NCC(C)C)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=N][O][Ring1][N][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c18cc7no1.C6C(C)C.C37=O.CO4.N36.O5C |
28359 | COCC(C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][N][=Ring1][#C] | c19ccc5c6c1.c18cc9on1.C4C7C.C38=O.CO4.N37.O5C.O6C |
28360 | COc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc9cc16.c19cc8no1.c17cccnc1.C48=O.CO5.N47.O6C |
28361 | COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc9cc16.c19cc8no1.c17cc(C)on1.C48=O.CO5.N47.O6C |
28362 | O=C(NCc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring1][=C] | c18ccc2c(c1)OCO2.c17cccnc1.c16cc8on1.O=C46.N45.C57 |
28363 | CC(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring1][=C] | c17ccc2c(c1)OCO2.c16cc7on1.CC5C.C46=O.N45 |
28364 | COCC(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring1][=C] | c18ccc2c(c1)OCO2.c17cc8on1.C5C6C.C47=O.CO5.N46 |
28365 | O=C(Nc1cccc(O)c1)c1cc(-c2ccc3c(c2)OCO3)on1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring1][=C] | c17ccc2c(c1)OCO2.c15cccc(O)c1.c16cc7on1.O=C46.N45 |
28366 | O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring1][=C] | c17ccc2c(c1)OCO2.c15cccnc1.c16cc7on1.O=C46.N45 |
28367 | COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c19ccc2c(c1)OCO2.c16ccc7cc1.c18cc9on1.C58=O.CO6.N57 |
28368 | COCC(C)NC(=O)c1cc(-c2cccc(Cl)c2)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][N][=Ring1][N] | c17cccc(Cl)c1.c16cc7on1.C4C5C.C36=O.CO4.N35 |
28370 | COCC(C)NC(=O)c1cc(-c2cc(OC)ccc2OC)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][O][N][=Ring1][#C] | c19cc5ccc16.c18cc9on1.C4C7C.C38=O.CO4.N37.O5C.O6C |
28371 | COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)on3)no2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][O][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c15ccc6c9c1.c19cc8no1.c17cc(C)on1.C48=O.CO5.O6C.N47 |
28372 | O=C(NCc1cccnc1)c1cc(-c2ccco2)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2] | c16cccnc1.c15cc7on1.c17ccco1.O=C35.N34.C46 |
28373 | COCC(C)NC(=O)c1cc(-c2ccco2)on1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2] | c16cc7on1.c17ccco1.C4C5C.C36=O.CO4.N35 |
28374 | O=C(Nc1cccc(O)c1)c1cc(-c2ccco2)on1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2] | c14cccc(O)c1.c15cc6on1.c16ccco1.O=C35.N34 |
28375 | O=C(Nc1cccnc1)c1cc(-c2ccco2)on1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2] | c14cccnc1.c15cc6on1.c16ccco1.O=C35.N34 |
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