ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1936637 | CCOC(=O)N1CCN(C(=O)NCc2cnc(C)s2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][S] | N14CCN5CC1.c19cnc(C)s1.C34=O.C56=O.CC7.O37.N68.C89 |
1936638 | Cc1ncc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=N][S][Ring2][Ring1][=Branch1] | N14CCN7CC1.Cc1ncc9s1.C7C5=O.C34=O.C8(C)C.C69.N36.N58 |
1936639 | Cc1cc(CN2CCN(C(=O)NCc3cnc(C)s3)CC2)no1 | [C][C][=C][C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][S][=N][O][Ring2][Ring1][=Branch1] | N16CCN4CC1.Cc1cc8no1.c19cnc(C)s1.C45=O.C68.N57.C79 |
1936640 | Cc1ncc(CNC(=O)Nn2cnc3ccccc32)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | C4(=O)Nn1cnc2ccccc21.Cc1ncc6s1.C56.N45 |
1936641 | Cc1ncc(CNC(=O)N(C)Cc2ccccc2N2CCCC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][S][Ring2][Ring1][#Branch1] | c19ccccc17.Cc1ncc8s1.N17CCCC1.C34=O.N46C.C58.N35.C69 |
1936642 | Cc1ncc(CNC(=O)Nc2cc3c(cc2Cl)OCCO3)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][O][Ring1][=Branch2][S][Ring2][Ring1][Branch1] | c17cc2c(cc1Cl)OCCO2.Cc1ncc8s1.C45=O.C68.N46.N57 |
1936643 | Cc1ncc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][S][Ring2][Ring1][=Branch1] | N15CCN6CC1.Cc1ncc9s1.C7(C)(C)C.C45=O.C36=O.C89.N48.O37 |
1936644 | Cc1ncc(CNC(=O)N2CCN(Cc3cccnc3)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][S][Ring2][Ring1][=Branch1] | N15CCN7CC1.Cc1ncc8s1.c19cccnc1.C45=O.C68.N46.C79 |
1936645 | Cc1ncc(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][S][Ring2][Ring1][=Branch1] | N15CCC8CC1.c18ccc(O)cc1.Cc1ncc7s1.C45=O.C67.N46 |
1936646 | Cc1ncc(CNC(=O)Nc2ccccc2N2CCCCCC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1][S][Ring2][Ring1][#Branch1] | c16ccccc17.N17CCCCCC1.Cc1ncc8s1.C34=O.C58.N35.N46 |
1936647 | Cc1ncc(CNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][S][Ring2][Ring1][Branch1] | N14CCN5CC1.Cc1ncc7s1.C5(=O)C(C)(C)C.C34=O.C67.N36 |
1936648 | COCC(=O)N1CCN(C(=O)NCc2cnc(C)s2)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][S] | N13CCN4CC1.c18cnc(C)s1.C6C3=O.C45=O.CO6.N57.C78 |
1936649 | CCNC(=O)CN1CCN(C(=O)NCc2cnc(C)s2)CC1 | [C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][S] | N17CCN4CC1.c19cnc(C)s1.C3(=O)C7.C45=O.CC6.N36.N58.C89 |
1936650 | Cc1ncc(CNC(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][N][Branch1][P][C][C][=C][C][=C][Branch1][#Branch1][C][C][C][Ring1][Ring1][C][O][Ring1][=Branch2][C][C][C][Ring1][Ring1][S][Ring2][Ring1][#Branch1] | Cc1ncc9s1.c1%10ccc%11o1.C1%11CC1C.C45=O.N578.C18CC1.C69.N46.C7%10 |
1936651 | Cc1ncc(CNC(=O)Nc2ccc(OCC(F)(F)F)nc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][N][S][Ring2][Ring1][=Branch1] | c18ccc6nc1.Cc1ncc9s1.C5C(F)(F)F.C34=O.C79.N37.N48.O56 |
1936652 | Cc1ncc(CNC(=O)Nc2ccc(CN3CCCC3=O)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N][S][Ring2][Ring1][#Branch1] | c17ccc%10cc1.Cc1ncc9s1.N18CCCC1=O.C45=O.C69.N46.N57.C8%10 |
1936653 | Cc1ncc(CNC(=O)N2CCN(C(=O)N(C)C)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][S][Ring2][Ring1][Ring2] | N14CCN5CC1.Cc1ncc8s1.C34=O.C56=O.N6(C)C.C78.N37 |
1936654 | COCCOc1ccc(NC(=O)NCc2cnc(C)s2)cn1 | [C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=N][Ring1][P] | c17ccc9cn1.c1%10cnc(C)s1.C5C6.C34=O.CO5.O67.N39.N48.C8%10 |
1936655 | Cc1ncc(CNC(=O)Nc2cccnc2OC(C)C)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][S][Ring2][Ring1][Ring2] | c18cccnc16.Cc1ncc9s1.C34=O.C5(C)C.C79.N37.N48.O56 |
1936656 | Cc1ncc(CNC(=O)N(C)CCCOc2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1] | Cc1ncc9s1.c16ccccc1.C8CC5.C34=O.N48C.C79.N37.O56 |
1936657 | Cc1ncc(CNC(=O)N(C)CCCOc2ccc(F)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch1] | c16ccc(F)cc1.Cc1ncc9s1.C8CC5.C34=O.N48C.C79.N37.O56 |
1936658 | Cc1cc(C)n(-c2cccc(NC(=O)NCc3cnc(C)s3)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n9n1.c19cccc7c1.c18cnc(C)s1.C45=O.N47.N56.C68 |
1936659 | CCN(C(=O)NCc1cnc(C)s1)C1CCCC1 | [C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1] | c17cnc(C)s1.C16CCCC1.N246.C23=O.CC4.N35.C57 |
1936660 | Cc1ncc(CNC(=O)N(C)CCCOc2ccccc2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring2][Ring1][=Branch1] | c16ccccc1C.Cc1ncc9s1.C8CC5.C34=O.N48C.C79.N37.O56 |
1936661 | Cc1ncc(CNC(=O)Nc2cccc(N3CCOCC3)c2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][S][Ring2][Ring1][=Branch1] | c17cccc8c1.Cc1ncc9s1.N18CCOCC1.C45=O.C69.N46.N57 |
1936662 | Cc1ncc(CNC(=O)N2CC3CCC2C3)s1 | [C][C][=N][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][S][Ring1][S] | N15CC2CCC1C2.Cc1ncc7s1.C45=O.C67.N46 |
1936663 | Cc1ncc(CNC(=O)NCC(O)COc2ccc(F)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch1] | c16ccc(F)cc1.Cc1ncc9s1.C8C(O)C5.C34=O.C79.N37.N48.O56 |
1936664 | Cc1cccc(OCC(O)CNC(=O)NCc2cnc(C)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.c19cnc(C)s1.C5C(O)C7.C34=O.O56.N37.N48.C89 |
1936666 | Cc1cccc(CNC(=O)NCC(=O)N2CCCc3ccccc32)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][Branch2] | N16CCCc2ccccc21.Cc1cccc9n1.C8C6=O.C45=O.C79.N47.N58 |
1936667 | Cc1ncc(CNC(=O)NCC(=O)N2CCCc3ccccc32)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][#Branch1] | N16CCCc2ccccc21.Cc1ncc9s1.C8C6=O.C45=O.C79.N47.N58 |
1936668 | CCC(C)C(C)NC(=O)Nc1ccc2oc(C)nc2c1 | [C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2oc(C)nc2c1.CCC(C)C5C.C34=O.N35.N46 |
1936670 | CCC(C)C(C)NC(=O)N1CCC(CC(=O)N2CCCC2)CC1 | [C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | N14CCC7CC1.CCC(C)C6C.N15CCCC1.C7C5=O.C34=O.N36 |
1936671 | CCC(C)C(C)NC(=O)NCc1nc(-c2ccccc2)cs1 | [C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | CCC(C)C5C.c17nc8cs1.c18ccccc1.C34=O.N35.N46.C67 |
1936672 | COC(=O)N1CCC(NC(=O)N(C)C(C)C2CC2)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][C][Ring1][S] | N14CCC8CC1.C34=O.C56=O.N67C.C79C.C19CC1.CO3.N58 |
1936673 | COC(=O)N1CCC(NC(=O)Nc2ccc3[nH]c(C)cc3c2)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2] | c18ccc2[nH]c(C)cc2c1.N15CCC9CC1.C45=O.C67=O.CO4.N69.N78 |
1936674 | CCC(C)C(C)NC(=O)N1CCC(C(=O)N2CCOCC2)CC1 | [C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCC7CC1.CCC(C)C6C.N15CCOCC1.C34=O.C57=O.N36 |
1936675 | Cc1ccccc1C1(CNC(C)c2nc(C3CC3)no2)CCOCC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][N][C][Branch1][C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][C][O][C][C][Ring2][Ring1][C] | Cc1ccccc19.C179CCOCC1.c16nc8no1.C56C.C18CC1.C47.N45 |
1936676 | CN(CCc1ccccn1)C(=O)c1nc(-c2ccccc2)oc1C1CC1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c15nc8oc17.c16ccccn1.c18ccccc1.CN34.C4C6.C35=O.C17CC1 |
1936677 | CC1Oc2ccc(NC(=O)N(C)Cc3ccccn3)cc2NC1=O | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][N][C][Ring2][Ring1][=Branch1][=O] | CC1Oc2ccc7cc2NC1=O.c18ccccn1.C45=O.N56C.N47.C68 |
1936678 | CN(Cc1ccccn1)C(=O)Nc1ccccc1N1CCCCCC1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | c15ccccc16.N16CCCCCC1.c17ccccn1.CN24.C23=O.C47.N35 |
1936679 | CN(Cc1ccccn1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N] | c16ccc9cc1.c18ccccn1.N17CCCC1=O.CN35.C34=O.C58.N46.C79 |
1936680 | CC1CCCC(CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 | [C][C][C][C][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][C][Ring1][#Branch2][=O][C][Ring2][Ring1][=Branch1] | c16cc8c[nH]c1=O.CC1CCCC7C1.C8(F)(F)F.C34=O.C57.N35.N46 |
1936682 | COc1cc(F)ccc1NCc1c[nH]nc1-c1ccccc1 | [C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12cc(F)ccc14.c15c[nH]nc16.c16ccccc1.CO2.N34.C35 |
1936683 | Cc1nc(Cn2cnc3sc4c(c3c2=O)CCCC4)oc1C | [C][C][N][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][O][C][=Ring2][Ring1][Ring2][C] | n15cnc2sc3c(c2c1=O)CCCC3.Cc1nc6oc1C.C56 |
1936684 | O=c1c2c3c(sc2ncn1Cc1nnc(C2CC2)o1)CCCC3 | [O][=C][C][C][=C][Branch2][Ring1][=Branch2][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][C][C][C][Ring2][Ring1][Ring2] | O=c1c2c3c(sc2ncn14)CCCC3.c15nnc6o1.C16CC1.C45 |
1936685 | CN(C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)C1CC1 | [C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][C][C][C][Ring1][Ring1] | n16cnc2sc3c(c2c1=O)CCCC3.C4(=O)C6.CN45.C15CC1 |
1936686 | CCCc1nc(COc2cc(OC)cc(OC)c2)no1 | [C][C][C][C][=N][C][Branch2][Ring1][Ring1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][P] | c14cc5cc6c1.c17nc8no1.CCC7.C38.O34.O5C.O6C |
1936687 | CNC(=O)c1ccc(OC)c(NCC(=O)NC(C)c2ccco2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c19ccc5c8c1.c1%10ccco1.C6C4=O.C39=O.C7%10C.CN3.O5C.N68.N47 |
1936688 | CNC(=O)c1ccc(OC)c(NCC(=O)NCC2CCCCC2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c19ccc5c8c1.C1%10CCCCC1.C6C4=O.C39=O.CN3.O5C.N68.N47.C7%10 |
1936689 | CNC(=O)c1ccc(OC)c(NCc2cc(C(=O)OC)c(C)o2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c18ccc5c7c1.c1%10cc9c(C)o1.C48=O.C39=O.CN4.O5C.N67.C6%10.O3C |
1936690 | COc1cccc(C(=O)N2CCCC2c2cccc(F)c2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][O][C] | c14cccc6c15.c17cccc(F)c1.N13CCCC17.C36=O.CO4.O5C |
1936691 | O=C(CNc1ccccc1C(=O)N1CCCC(O)C1)NC1CC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][N][C][C][C][Ring1][Ring1] | c15ccccc17.N13CCCC(O)C1.O=C2C4.C37=O.C16CC1.N45.N26 |
1936692 | Cc1ccccc1OCCCN(C)C(=O)c1c(C)nn(C)c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | c16c(C)nn(C)c1C.Cc1ccccc14.C3CC5.N25C.C26=O.O34 |
1936694 | COC(=O)c1cc(CNc2cccc(C)c2C(N)=O)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][O][C][=Ring1][P][C] | c15cccc(C)c17.c16cc8oc1C.C36=O.C7(N)=O.CO3.C48.N45 |
1936695 | COC(=O)c1cc(CNc2cccc(C(=O)NC(C)(C)C)c2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][O][C][=Ring2][Ring1][Ring2][C] | c18cc%10oc1C.c17cccc9c1.C6(C)(C)C.C38=O.C49=O.CO3.C5%10.N57.N46 |
1936696 | COC(=O)Nc1cccc(NCC(=O)NC(C)c2ccco2)c1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c18cccc9c1.c1%10ccco1.C6C5=O.C34=O.C7%10C.CO3.N48.N69.N57 |
1936697 | COC(=O)Nc1cccc(NCC(=O)NCc2ccco2)c1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][P] | c18cccc9c1.c1%10ccco1.C6C5=O.C34=O.CO3.N48.N69.N57.C7%10 |
1936698 | CCCc1nc(COc2ccc(SC)cc2)no1 | [C][C][C][C][=N][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][=N][O][Ring1][#C] | c14ccc7cc1.c15nc6no1.CCC5.C36.O34.S7C |
1936699 | Cc1nc(CSc2nnc(C)c(=O)n2N)oc1C | [C][C][N][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][N][O][C][=Ring1][S][C] | c15nnc(C)c(=O)n1N.Cc1nc4oc1C.C34.S35 |
1936701 | CCCc1nc(CSc2nnc(-c3cccnc3)n2C)no1 | [C][C][C][C][=N][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=N][O][Ring2][Ring1][Ring1] | c17nnc8n1C.c15nc6no1.c18cccnc1.CCC5.C46.S47 |
1936702 | Cc1noc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] | c17nc2c(cc1C#N)CCCC2.Cc1noc6n1.C4(=O)C5.N46.S57 |
1936703 | c1ccc2oc(CCCSc3nc(C4CC4)n[nH]3)nc2c1 | [C][=C][C][=C][O][C][Branch2][Ring1][Ring1][C][C][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c1ccc2oc6nc2c1.c17nc8n[nH]1.C6CC5.C18CC1.S57 |
1936704 | Cc1nc(COc2cccc(NC(=O)c3ccccc3)c2)oc1C | [C][C][N][=C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][O][C][=Ring2][Ring1][=Branch1][C] | Cc1nc9oc1C.c16cccc7c1.c18ccccc1.C48=O.C59.O56.N47 |
1936705 | CCCc1nc(COc2cccc(NC(=O)OC)c2)no1 | [C][C][C][C][=N][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=C][Ring1][O][=N][O][Ring2][Ring1][C] | c16cccc7c1.c18nc9no1.CCC8.C34=O.C59.O56.N47.O3C |
1936706 | O=c1c2cccc(Br)c2ncn1CCn1cccn1 | [O][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][N][Ring1][O][C][C][N][C][=C][C][=N][Ring1][Branch1] | O=c1c2cccc(Br)c2ncn13.n14cccn1.C3C4 |
1936707 | Cc1nc(Cn2cnc3c(Br)cccc3c2=O)oc1C | [C][C][N][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][O][C][=Ring2][Ring1][C][C] | n14cnc2c(Br)cccc2c1=O.Cc1nc5oc1C.C45 |
1936708 | O=c1c2cccc(Br)c2ncn1Cc1noc(C2CC2)n1 | [O][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][N][Ring1][O][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2] | O=c1c2cccc(Br)c2ncn13.c14noc5n1.C15CC1.C34 |
1936709 | CCCNC(=O)C1CN(Cc2nc(C)c(C)o2)c2ccccc2O1 | [C][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][#C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C] | C16CN5c2ccccc2O1.c17nc(C)c(C)o1.CCC4.C36=O.N34.C57 |
1936710 | O=C(CN1CCN(Cc2nnc(C3CC3)o2)CC1)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][N][C][C][N][Branch1][S][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | N15CCN6CC1.c17nnc8o1.N14CCOCC1.O=C4C5.C18CC1.C67 |
1936711 | CN(C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 | [C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring1][Ring1] | N15CCN6CC1.N14CCOCC1.C3(=O)C5.C6C4=O.CN37.C17CC1 |
1936712 | Cc1nc(C)nc(-c2ccccc2Br)n1 | [C][C][=N][C][Branch1][C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][=C] | Cc1nc3nc(C)n1.c13ccccc1Br |
1936713 | Cc1nc(C)nc(-c2cccc(Br)c2)n1 | [C][C][=N][C][Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring1][=C] | Cc1nc3nc(C)n1.c13cccc(Br)c1 |
1936714 | N#Cc1c(-c2ccc(OC3CCCC3)cc2)coc1N | [N][#C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][=C][O][C][=Ring1][P][N] | N#Cc1c6coc1N.c16ccc5cc1.C14CCCC1.O45 |
1936716 | CCCCOc1ccc(-c2nc(C)nc(CN)n2)cc1 | [C][C][C][C][O][C][=C][C][=C][Branch1][S][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][C][N][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c16nc5nc(C)n1.c14ccc6cc1.CCCC3.O34.C5N |
1936717 | CN(C(=O)CN1CCN(C(=O)c2ccccc2F)CC1)C1CC1 | [C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][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][C][Ring1][Ring1] | N15CCN4CC1.c17ccccc1F.C3(=O)C5.CN36.C47=O.C16CC1 |
1936718 | CN(C(=O)CN1CCN(c2ncnc3sccc23)CC1)C1CC1 | [C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=C][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][C][C][Ring1][Ring1] | c16ncnc2sccc12.N15CCN6CC1.C4(=O)C5.CN47.C17CC1 |
1936719 | Cc1ncc(CN2CCOC(c3ccccc3)C2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][S][Ring2][Ring1][C] | N14CCOC6C1.Cc1ncc5s1.c16ccccc1.C45 |
1936720 | CN(C(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1 | [C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][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][C][Ring1][Ring1] | N15CCN4CC1.c17ccc(F)cc1.C3(=O)C5.CN36.C47=O.C16CC1 |
1936721 | Cc1ncc(CN2CCN(C(=O)C3CCCC3)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][S][Ring2][Ring1][Ring1] | N15CCN4CC1.Cc1ncc7s1.C16CCCC1.C46=O.C57 |
1936722 | COc1ccc(C(O)CNCc2ccncc2)cc1N | [C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][O][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][N] | c13ccc6cc1N.c17ccncc1.C6(O)C4.CO3.N45.C57 |
1936723 | Cc1ncc(CN2CCN(C(=O)CCC3CCCC3)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C][S][Ring2][Ring1][Branch1] | N15CCN4CC1.Cc1ncc6s1.C4(=O)CC7.C17CCCC1.C56 |
1936724 | COCCOc1ccc(-c2nc(C)nc(CN)n2)cc1 | [C][O][C][C][O][C][=C][C][=C][Branch1][S][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][C][N][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c17nc6nc(C)n1.c15ccc7cc1.C3C4.CO3.O45.C6N |
1936726 | O=C1CCN(CCC(=O)c2ccc3c(c2)OCO3)CC1 | [O][=C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c15ccc2c(c1)OCO2.O=C1CCN4CC1.C4CC5=O |
1936727 | Cc1ncc(CN2CCCN(c3ccccc3C#N)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][#C][S][Ring2][Ring1][Branch1] | N14CCCN5CC1.c15ccccc1C#N.Cc1ncc6s1.C46 |
1936728 | CN(CCc1ccncc1)[S+]([O-])c1ccc(N)cc1 | [C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | CN2[S+]([O-])c1ccc(N)cc1.c13ccncc1.C2C3 |
1936729 | Cc1ccc(NC(=O)C2CCN(Cc3cnc(C)s3)CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][=N][N][=C][Ring2][Ring1][=Branch1] | Cc1ccc6nc1.C17CCN5CC1.c18cnc(C)s1.C47=O.N46.C58 |
1936730 | COc1ccnc(N2CCN(CCOC3CCCCC3C)CC2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | c15ccnc8n1.N18CCN7CC1.C16CCCCC1C.C7C4.CO5.O46 |
1936731 | COc1cc(-c2nc(C)nc(N)n2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=N][C][Branch1][C][C][=N][C][Branch1][C][N][=N][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13cc6cc4c15.c16nc(C)nc(N)n1.CO3.O4C.O5C |
1936732 | COc1cc(OC)c(-c2nc(C)nc(N)n2)c(OC)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=N][C][Branch1][C][C][=N][C][Branch1][C][N][=N][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c13cc4c6c5c1.c16nc(C)nc(N)n1.CO3.O4C.O5C |
1936733 | Nc1cccc(OCc2nnc(N3CCOCC3)o2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][O][=C][Ring2][Ring1][Ring1] | Nc1cccc5c1.c17nnc6o1.N16CCOCC1.O45.C47 |
1936734 | Nc1ccccc1OCc1nnc(N2CCOCC2)o1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][O] | Nc1ccccc14.c16nnc5o1.N15CCOCC1.O34.C36 |
1936735 | Cc1nc(CN)nc(-c2ccc(OC(C)C)c(F)c2)n1 | [C][C][=N][C][Branch1][Ring1][C][N][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][O][=N][Ring2][Ring1][Ring1] | Cc1nc5nc6n1.c16ccc4c(F)c1.C3(C)C.C5N.O34 |
1936738 | COc1ccc(-c2csc3nnc(N)n23)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c16csc2nnc(N)n12.c14ccc6cc15.CO4.O5C |
1936739 | COc1ccc(OC)c(-c2csc3nnc(N)n23)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][C][=C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][P] | c16csc2nnc(N)n12.c14ccc5c6c1.CO4.O5C |
1936740 | COc1ccc(-c2csc3nnc(N)n23)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][C][=C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c16csc2nnc(N)n12.c14ccc6c5c1.CO4.O5C |
1936741 | COc1ccc(-c2nnc(N3CCCC3)s2)cc1N | [C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][=C][Ring1][S][N] | c14ccc6cc1N.c16nnc5s1.N15CCCC1.CO4 |
1936742 | COc1ccc(N)cc1-c1nnc(N2CCCC2)s1 | [C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2] | c13ccc(N)cc15.c15nnc4s1.N14CCCC1.CO3 |
1936743 | COc1cc(-c2nnc(N3CCCC3)s2)ccc1N | [C][O][C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][=C][C][=C][Ring1][S][N] | c14cc6ccc1N.c16nnc5s1.N15CCCC1.CO4 |
1936744 | COc1cc(N)ccc1-c1nnc(N2CCCC2)s1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2] | c13cc(N)ccc15.c15nnc4s1.N14CCCC1.CO3 |
1936745 | COc1ccc(-c2nnc(N3CCCC3)s2)c(N)c1 | [C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][Branch1][C][N][=C][Ring1][P] | c14ccc6c(N)c1.c16nnc5s1.N15CCCC1.CO4 |
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