ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7470 | COC(=O)CNc1nc(-c2ccncc2)nc2ccccc12 | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c15nc6nc2ccccc12.c16ccncc1.C3(=O)C4.CO3.N45 |
7471 | O=C(c1ccncc1)N(C1CCCCC1)C1CCCCC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c15ccncc1.C13CCCCC1.C14CCCCC1.O=C25.N234 |
7475 | Cc1ccc(-n2nnnc2-c2cnc(N)nc2C(F)(F)F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1] | c15cnc(N)nc13.Cc1ccc4cc1.n14nnnc15.C3(F)(F)F |
7477 | O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16ccc5cc1.c18ccccc1.c17ccncc1.O=C37.N36.O45.C48 |
7479 | CCOC(=O)c1ccccc1NC(=O)c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16ccccc15.c17ccncc1.C26=O.C37=O.CC4.O24.N35 |
7480 | CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15cccc(C)c1.CN3.C45 |
7481 | CC(C)OC(=O)c1ccc(NC(=O)c2ccncc2)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc6cc1.c18ccncc1.CC5C.C37=O.C48=O.O35.N46 |
7483 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16cccc(C)c1.CC3.N34.C56 |
7484 | C=C(C)Cn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCCC1.C=C(C)C4 |
7485 | Cc1nn(-c2ccc(C(C)(C)C)cc2)c(=O)c2noc(C)c12 | [C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1nn4c(=O)c2noc(C)c12.c14ccc3cc1.C3(C)(C)C |
7486 | CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c17c6sc2c1CCCC2.c18ccncc1.C37=O.C48=O.CC5.O35.N46 |
7487 | O=C(Nc1nc2ccsc2c(=O)s1)c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2ccsc2c(=O)s1.c15ccccc1.O=C35.N34 |
7488 | C=CCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCCC1.C=CC4 |
7489 | CCOC(=O)c1c(NC(=O)c2ccncc2)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][P][C] | c18c6sc7c1C.c19ccncc1.C38=O.C49=O.C7(C)=O.CC5.O35.N46 |
7490 | CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 | [C][C][C][Branch1][C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16ccccc1.CCC3C.N34.C56 |
7491 | CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCC(C)C2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c17c6sc2c1CCC(C)C2.c18ccncc1.C37=O.C48=O.CC5.O35.N46 |
7492 | COc1cc2nc(NC(=O)c3ccco3)sc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=Branch1][C][=O][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C] | c15cc2nc7sc(=O)c2cc16.c18ccco1.C48=O.CO5.N47.O6C |
7493 | O=C(Nc1nc2ccccc2c(=O)s1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][S][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2ccccc2c(=O)s1.c15ccccc1.O=C35.N34 |
7495 | Cn1ncc2c(=O)sc(NC(=O)c3ccccc3)nc21 | [C][N][N][=C][C][C][=Branch1][C][=O][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][S][Ring2][Ring1][Ring1] | Cn1ncc2c(=O)sc5nc21.c16ccccc1.C46=O.N45 |
7497 | C=CCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccccc1.C=CC5.N34C.C36 |
7499 | C=CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCCCCC1.C=CC4 |
7500 | CCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c3nc2c1c(=O)[nH]c(=O)n2C.C14CCCCC1.CC5.N34 |
7502 | CCOC(=O)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][Ring1][S] | c16cc(=O)n(C)c(=O)n1C.N14CCN6CC1.C34=O.CC5.O35 |
7503 | CCn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N3(C)C.CC4 |
7504 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.CC3.N34.C5C |
7505 | CCn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c3nc2c1c(=O)n(C)c(=O)n2C.C14CCCCC1.CC5.N34 |
7506 | COc1ccc(OC(C)C(=O)Nc2ccc(OC)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][=Branch1] | c19ccc7cc18.c15ccc6cc1.C4(C)C3=O.CO5.O46.N39.O7C.O8C |
7508 | COc1ccc(OC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c18ccc2c(c1)OCCO2.c16ccc7cc1.C5(C)C4=O.CO6.O57.N48 |
7509 | CCCn1c(NC(C)CC)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][Branch2][N][C][Branch1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.C3(C)CC.CCC5.N34 |
7510 | COc1ccc(OC(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c18ccc2c(c1)OCO2.c16ccc7cc1.C5(C)C4=O.CO6.O57.N48 |
7511 | COC(=O)c1ccc(NC(=O)C(C)Oc2ccc(OC)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c19ccc8cc1.c16ccc7cc1.C4(=O)C5C.C39=O.CO3.N48.O56.O7C |
7512 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C | [C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][C][C] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.C4C(C)C.CN3 |
7513 | COc1cc2c(cc1OC)C(c1ccccc1)CC2=O | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O] | c13cc2c(cc14)C(c1ccccc1)CC2=O.CO3.O4C |
7514 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C | [C][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][C][C] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.C5C(C)C.CC3.N34 |
7515 | Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccc(F)cc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cn1c(=O)[nH]c(=O)c2c1ncn23.c14ccc(F)cc1.C34 |
7516 | CCn1nc(C)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n16nc(C)cc14.c15ccc(Cl)cc1.C3C5=O.C24=O.CC6.O23 |
7517 | COc1ccc(OC(C)C(=O)Nc2ccccc2C(N)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c17ccccc18.C4(C)C3=O.C8(N)=O.CO5.O46.N37 |
7518 | CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccc(F)cc1.CN3C.C45 |
7519 | COc1ccc(OC(C)C(=O)NCc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.C4(C)C3=O.c18ccco1.CO5.O46.N37.C78 |
7520 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16ccc(F)cc1.CC3.N34.C56 |
7521 | COc1ccc(OC(C)C(=O)NC(C)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccccc1.C4(C)C3=O.C78C.CO5.O46.N37 |
7522 | Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1ccc(F)cc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc(N)n23.c14ccc(F)cc1.C34 |
7523 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 | [C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccc(F)cc1.CN3.C45 |
7524 | COc1ccc(OC(C)C(=O)NCCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccccc1.C4(C)C3=O.C7C8.CO5.O46.N37 |
7525 | CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccc(F)cc1.CN3C.C45 |
7526 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 | [C][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.c16ccc(F)cc1.CC3.N34.C56 |
7528 | CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n16.c17ccc(F)cc1.N345.CC3.C4C.C67 |
7529 | COc1ccc(OC(C)C(=O)Nc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17ccc(F)cc1.C4(C)C3=O.CO5.O46.N37 |
7530 | NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 | [N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][P] | n14c2ccccc2c2nc3ccccc3nc21.NC(=O)C4 |
7531 | COc1cc2nc(NC(C)=O)sc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=Branch1][C][=O][C][=Ring1][O][C][=C][Ring1][#C][O][C] | c14cc2nc6sc(=O)c2cc15.C3(C)=O.CO4.N36.O5C |
7532 | COc1ccc(-c2c(C(F)(F)F)nn3c(=O)cc(C)[nH]c23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=Ring1][#C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c16c5nn2c(=O)cc(C)[nH]c12.c14ccc6cc1.C5(F)(F)F.CO4 |
7533 | COc1ccc(-c2ccnc(-c3ccncc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c14ccc5cc1.c15ccnc6n1.c16ccncc1.CO4 |
7534 | COc1ccc(OC(C)C(=O)NCCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] | c19nc2ccccc2[nH]1.c16ccc7cc1.C5(C)C4=O.C8C9.CO6.O57.N48 |
7536 | Cc1nnsc1C(=O)NC1Cc2ccccc2C1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C14Cc2ccccc2C1.Cc1nnsc15.C35=O.N34 |
7537 | CCOC(=O)CSc1nc2ccccc2n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c16nc2ccccc2n1C.C3(=O)C5.CC4.O34.S56 |
7538 | COc1ccc(OC(C)C(=O)Nc2cccc(C(C)=O)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c17cccc8c1.C4(C)C3=O.C8(C)=O.CO5.O46.N37 |
7539 | COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#C][C] | c16ccc(S5(=O)=O)n1C.c17ccco1.C36=O.CO3.N45.C47 |
7540 | COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=N][C] | c15ccc(S4(=O)=O)n1C.C3(C)(C)C.C25=O.CO2.N34 |
7541 | COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C] | c16ccc(S5(=O)=O)n1C.c17ccccc1.C36=O.CO3.N45.C47 |
7542 | COC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring2][Ring1][C][C] | c17ccc(S6(=O)=O)n1C.c18ccc4cc1.C37=O.CO3.N56.C58.O4C |
7543 | COc1cc(NC(=O)c2ccccc2)c(OC)cc1N | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][N] | c14cc6c5cc1N.c17ccccc1.C37=O.CO4.N36.O5C |
7544 | CC(C)NC(=O)c1cc2cc(Br)ccc2oc1=O | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.CC4C.C35=O.N34 |
7545 | Cc1ccc2c(c1)C=Cc1ccccc1N2C(N)=O | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][Branch1][C][N][=O] | Cc1ccc2c(c1)C=Cc1ccccc1N23.C3(N)=O |
7546 | CNc1ccc(Cl)cc1C(=O)NCCc1ccccc1 | [C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(Cl)cc15.c16ccccc1.C25=O.C3C6.CN4.N23 |
7547 | CCOC(=O)c1nc(-c2cccc(-n3cccc3)c2)no1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O][=N][O][Ring1][S] | c18cccc7c1.c16nc8no1.n17cccc1.C46=O.CC5.O45 |
7548 | CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S4(=O)(=O)c1ccc(F)cc1.N13CCN4CC1.CCS3(=O)=O |
7550 | CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S4(=O)(=O)c1ccc(F)cc1.N13CCN4CC1.CS3(=O)=O |
7552 | CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][C][S][=Branch1][C][=O][=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] | N14CCN3CC1.c15ccc(F)cc1.CCS4(=O)=O.C35=O |
7553 | CCS(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C] | N14CCN3CC1.c15ccccc1Cl.CCS4(=O)=O.C35=O |
7554 | CCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N14CCN3CC1.CCS4(=O)=O.c15ccco1.C35=O |
7555 | CCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N] | N13CCN2CC1.C2(=O)CC(C)C.CCS3(=O)=O |
7556 | CCS(=O)(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] | N17CCN3CC1.c15ccc6cc1.CCS7(=O)=O.C3(=O)C4.O45.O6C |
7557 | CCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 | [C][C][S][=Branch1][C][=O][=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] | N14CCN3CC1.c15cccnc1.CCS4(=O)=O.C35=O |
7558 | CCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C] | N14CCN3CC1.CCS4(=O)=O.C3(=O)CC5.C15CCCC1 |
7560 | CCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15cccc(Cl)c1.CCS4(=O)=O.C35=O |
7561 | CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][C] | c17cccc4c15.N16CCN3CC1.CCS6(=O)=O.C37=O.O4C.O5C |
7562 | CCS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c17cc4cc5c1.N16CCN3CC1.CCS6(=O)=O.C37=O.O4C.O5C |
7564 | CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 | [C][C][C][S][=Branch1][C][=O][=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] | N14CCN3CC1.c15ccccc1F.CCCS4(=O)=O.C35=O |
7565 | CCCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N] | N13CCN2CC1.CCCS3(=O)=O.C2(=O)CC(C)C |
7566 | CCCS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 | [C][C][C][S][=Branch1][C][=O][=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] | N14CCN3CC1.c15cccc(F)c1.CCCS4(=O)=O.C35=O |
7567 | CCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 | [C][C][C][S][=Branch1][C][=O][=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] | N14CCN3CC1.CCCS4(=O)=O.c15cccnc1.C35=O |
7568 | CCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring1][S] | N15CCN3CC1.c16cccc4c1.CCCS5(=O)=O.C36=O.O4C |
7569 | CCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C] | N14CCN3CC1.CCCS4(=O)=O.C3(=O)CC5.C15CCCC1 |
7570 | CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N16CCN3CC1.c15ccc(C)cc1.CCCS6(=O)=O.C3(=O)C4.O45 |
7571 | CCCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15cccc(Cl)c1.CCCS4(=O)=O.C35=O |
7572 | CCCS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | N15CCN3CC1.c16ccc4cc1.CCCS5(=O)=O.C36=O.O4C |
7573 | O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.N13CCN4CC1.c15ccco1.O=C35 |
7574 | CCOC(=O)CSc1n[nH]c(=O)n1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16n[nH]c(=O)n15.c15ccccc1.C2(=O)C4.CC3.O23.S46 |
7576 | Cc1nnc2n(c1=O)N=C(c1ccc(Cl)cc1)CS2 | [C][C][=N][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][S][Ring1][#C] | Cc1nnc2n(c1=O)N=C(c1ccc(Cl)cc1)CS2 |
7577 | CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | C3(=O)CN1C(=O)C(O)(CC5=O)c2ccccc21.c15ccco1.CC4.O34 |
7580 | COc1ccc(NC(=O)CSc2nccn2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc7c5c1.c18nccn1C.C3(=O)C6.CO4.N37.S68.O5C |
7581 | Cn1ccnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n1C.Cn1ccnc13.S34 |
7583 | CCOC(=O)Cn1nnc(CSc2ccc(Cl)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=C] | c18ccc(Cl)cc1.n16nnc7n1.C3(=O)C6.CC4.O34.C57.S58 |
7585 | CN1C(=O)C(O)(CC(=O)c2cc(O)ccc2O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CN1C(=O)C(O)(CC3=O)c2ccccc21.c13cc(O)ccc1O |
7586 | CCOC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][S] | C6S(=O)(=O)c1ccc(Cl)cc1.c15nc6no1.C35=O.CC4.O34 |
7587 | CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | CN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc2ccccc2c1 |
7588 | CCOc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.c18nnnn17.c17ccccc1.C6(=O)C5.CC3.O34.S58 |
7589 | FC(F)(F)c1ccc(-c2nnc(C3CC3)o2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][=C][Ring1][=C] | c14ccc6cc1.c16nnc5o1.FC4(F)F.C15CC1 |
7590 | Cc1cc(OCC(=O)Nc2nccs2)ccc1C(C)C | [C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][S][C][Branch1][C][C][C] | Cc1cc5ccc17.c16nccs1.C4C3=O.C7(C)C.O45.N36 |
7591 | CCn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC | [C][C][N][N][=C][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C][=Branch1][C][=O][O][C] | n18nc(C)c5c16.c17ccc(Cl)cc1.C47=O.C36=O.CC8.N45.O3C |
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