ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933705 | CC(O)CNC(=O)c1ccc(-c2ccccc2F)s1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c16ccccc1F.c15ccc6s1.CC(O)C4.C35=O.N34 |
1933706 | Cc1nc(-c2ccc(CC(=O)NCC(C)O)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c16ccc5cc1.Cc1nc6cs1.C5C3=O.C4C(C)O.N34 |
1933707 | Cc1cc(C(=O)NCC(C)O)c2ccc(F)cc2n1 | [C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc5c2ccc(F)cc2n1.C4C(C)O.C35=O.N34 |
1933708 | Cc1ccc(-c2nc(CC(=O)NC(C)CO)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][S][Ring1][=N][O][Ring2][Ring1][C] | Cc1ccc6o1.c16nc5cs1.C5C3=O.C4(C)CO.N34 |
1933709 | CC(CO)NC(=O)c1ccc(-c2ccccc2F)s1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c16ccccc1F.c15ccc6s1.CC4CO.C35=O.N34 |
1933710 | Cc1nc(-c2ccc(CC(=O)NC(C)CO)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c16ccc5cc1.Cc1nc6cs1.C5C3=O.C4(C)CO.N34 |
1933711 | Cc1cc(C(=O)NC(C)CO)c2ccc(F)cc2n1 | [C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc5c2ccc(F)cc2n1.C4(C)CO.C35=O.N34 |
1933712 | COCc1ccc(C(=O)NC(C)c2cc(C)sc2C)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][O][Ring1][P] | c18cc(C)sc1C.c17ccc6o1.C36=O.C58C.CO4.C47.N35 |
1933713 | COc1ccc(OC)c(CC(=O)NCC(C)N2CCOCC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c14ccc5c8c1.N17CCOCC1.C8C3=O.C6C7C.CO4.O5C.N36 |
1933714 | CC(=O)NC1CCCN(C(=O)NCC(C)Cn2cccn2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][Ring2][Ring1][C] | C17CCCN4C1.C6C(C)C8.n18cccn1.CC3=O.C45=O.N37.N56 |
1933715 | CC(CNC(=O)N1CCCC1C(=O)NC1CC1)Cn1cccn1 | [C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][N][C][=C][C][=N][Ring1][Branch1] | N13CCCC17.CC(C5)C8.n18cccn1.C23=O.C47=O.C16CC1.N25.N46 |
1933716 | CC(Cc1ccccc1F)NC(=O)Nc1cnn(CC2CCCO2)c1 | [C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O] | c19ccccc1F.c16cnn7c1.C18CCCO1.CC5C9.C34=O.N35.N46.C78 |
1933717 | CC(Cc1ccccc1F)NC(=O)N(CCO)C1CC1 | [C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][Ring1][Ring1] | c17ccccc1F.CC4C7.C23=O.N356.C5CO.C16CC1.N24 |
1933718 | COc1ccccc1C1(CNC(=O)NCC(C)(C)C(N)=O)CCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][N][=O][C][C][C][C][Ring1][P] | c14ccccc18.C6C(C)(C)C(N)=O.C178CCCC1.C23=O.CO4.C57.N25.N36 |
1933719 | CCNC(=O)CNC(=O)NCC1(c2ccccc2OC)CCCC1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][Ring1][=N] | c1%11ccccc16.C1%10%11CCCC1.C3(=O)C8.C45=O.CC7.N37.N48.N59.C9%10.O6C |
1933720 | O=C(CCNC(=O)NCCC1CC2CCC1C2)NC1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][N][C][C][C][C][C][Ring1][Branch1] | C19CC2CCC1C2.O=C3CC6.C18CCCC1.C45=O.C7C9.N46.N57.N38 |
1933721 | CC(C1CC1)N(C)C(=O)NCc1ccc(N2CCCCC2=O)cc1 | [C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N] | c18ccc9cc1.N19CCCCC1=O.CC57.C17CC1.N35C.C34=O.N46.C68 |
1933723 | O=C1NC(C(=O)NCCNc2cccnc2)Cc2ccccc21 | [O][=C][N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | O=C1NC7Cc2ccccc21.c16cccnc1.C37=O.C4C5.N34.N56 |
1933724 | N#Cc1ccc(-n2nc(C3CCOCC3)nc2-c2ccc[nH]2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | N#Cc1ccc4cc1.n14nc6nc15.C16CCOCC1.c15ccc[nH]1 |
1933725 | CNc1ncccc1C(=O)N1CCN(Cc2nncn2C)CC(O)C1 | [C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Ring1][#C] | N13CCN4CC(O)C1.c15ncccc16.c17nncn1C.C36=O.CN5.C47 |
1933726 | COCC(C)N(Cc1ccccc1C)C(=O)CN1CCCCC1=O | [C][O][C][C][Branch1][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c17ccccc1C.N16CCCCC1=O.C3C4C.C2(=O)C6.N245.CO3.C57 |
1933728 | Cn1cc(Cl)c(C(=O)N(CCCO)Cc2cccnc2)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cn1cc(Cl)c6n1.c17cccnc1.C4CCO.C36=O.N345.C57 |
1933729 | CC(=O)c1cc(C(=O)Nc2cccc(-c3nncn3C)c2)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][=C][Ring1][N][N][Branch1][C][C][C][=Ring2][Ring1][Branch1] | c17cc6n(C)c1.c15cccc8c1.c18nncn1C.CC7=O.C46=O.N45 |
1933730 | COCc1ccc(C(=O)NC(C)Cc2cccs2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][S] | c17ccc6o1.c18cccs1.C5(C)C8.C36=O.CO4.C47.N35 |
1933731 | CC(C)CN(CC(C)C)C(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C17CCN4CC1.CC(C)C5.C6C(C)C.N356.C37=O.C48=O.C18CC1 |
1933732 | CCOC(=O)C1CCN(C(=O)c2cc(CC)n[nH]2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][C][=N][NH1][Ring1][#Branch1][C][C][Ring1][#C] | C17CCN4CC1.c16cc8n[nH]1.C37=O.C46=O.CC5.O35.C8C |
1933733 | CC(C)OCCCNC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][C][Branch1][C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c17cnc2ccccc2c18.C5CC6.C8(F)(F)F.CC4C.C37=O.O45.N36 |
1933734 | CCc1cc(C(=O)NCCC(=O)N2CCCC2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][NH1][N][=Ring1][P] | c17cc6[nH]n1.C5CC4=O.N14CCCC1.C36=O.CC7.N35 |
1933735 | CCc1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][NH1][N][=Ring2][Ring1][=Branch1] | c17cc6[nH]n1.c18ccc(C)o1.N15CCOCC1.C4C58.C36=O.CC7.N34 |
1933736 | CCc1cc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C][NH1][N][=Ring2][Ring1][Branch1] | N14CCCC7C1.c18cc6[nH]n1.N15CCOCC1.C46=O.C57=O.CC8 |
1933737 | CCc1cc(C(=O)NCC(=O)N2CCCC2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][NH1][N][=Ring1][S] | c17cc6[nH]n1.N14CCCC1.C5C4=O.C36=O.CC7.N35 |
1933738 | CCc1cc(C(=O)NCc2cc(C(=O)OC)c(C)o2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][O][Ring1][#Branch2][NH1][N][=Ring2][Ring1][Ring1] | c19cc7c(C)o1.c18cc6[nH]n1.C46=O.C37=O.CC8.N45.C59.O3C |
1933739 | COc1ccccc1CN(C)C(=O)CN1CCCCC1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c13ccccc16.N15CCCCC1=O.C2(=O)C5.N24C.CO3.C46 |
1933740 | CN(Cc1ccccc1F)C(=O)CN1CCCCC1=O | [C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c15ccccc1F.N14CCCCC1=O.C2(=O)C4.CN23.C35 |
1933741 | CC(NC(=O)CN1CCCCC1=O)c1ccc(Br)cc1 | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | N14CCCCC1=O.c15ccc(Br)cc1.C2(=O)C4.CC35.N23 |
1933742 | CC(NC(=O)CN1CCCCC1=O)c1ccccc1Br | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | N14CCCCC1=O.c15ccccc1Br.C2(=O)C4.CC35.N23 |
1933743 | COc1ccc(C(NC(=O)CN2CCCCC2=O)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.N16CCCCC1=O.C57C(C)C.C3(=O)C6.CO4.N35 |
1933744 | Cc1nc(-c2ccc(NC(=O)CN3CCCCC3=O)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][P][=C][S][Ring2][Ring1][=Branch1] | c17ccc5cc1.N16CCCCC1=O.Cc1nc7cs1.C4(=O)C6.N45 |
1933745 | CC(C)CC(NC(=O)CN1CCCCC1=O)c1ccccc1 | [C][C][Branch1][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14CCCCC1=O.CC(C)CC35.c15ccccc1.C2(=O)C4.N23 |
1933746 | CC(C)C(C)N(C(=O)C1CC1(Cl)Cl)C1CC1 | [C][C][Branch1][C][C][C][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][C][Ring1][Ring1] | CC(C)C3C.C15CC1(Cl)Cl.N234.C25=O.C14CC1 |
1933747 | CC(C)C(C)N(C(=O)C1(C)CC1(Cl)Cl)C1CC1 | [C][C][Branch1][C][C][C][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][C][C][Ring1][Ring1] | C15(C)CC1(Cl)Cl.CC(C)C3C.N234.C25=O.C14CC1 |
1933748 | CC(C)C(C)N(C(=O)CCc1ccsc1)C1CC1 | [C][C][Branch1][C][C][C][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | CC(C)C3C.C2(=O)CC5.c15ccsc1.N234.C14CC1 |
1933749 | COc1ccc(CNc2ncnc3c2oc2ccccc23)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][F] | c16ncnc2c1oc1ccccc12.c14ccc7cc1F.CO4.C57.N56 |
1933750 | Cc1cc(C)nc(NCC(O)c2ccccc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][C] | Cc1cc(C)nc4n1.c15ccccc1F.C3C5O.N34 |
1933751 | COCc1ccc(CNc2nc(C)cc(C)n2)cc1 | [C][O][C][C][=C][C][=C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S] | c15nc(C)cc(C)n1.c16ccc7cc1.CO3.C36.C47.N45 |
1933752 | COc1cccc2c1N(Cc1cccnc1)CCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N] | c13cccc2c1N4CCC2.c15cccnc1.CO3.C45 |
1933753 | CC1CN(C(=O)CN2CCCc3cc(Cl)ccc32)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | N15CCCc2cc(Cl)ccc21.CC1CN4CC(C)O1.C4(=O)C5 |
1933754 | Clc1ccc2c(c1)CCCN2Cc1cccnc1 | [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Clc1ccc2c(c1)CCCN23.c14cccnc1.C34 |
1933755 | CC1COCCN1Cc1nc(-c2ccccc2OC(F)F)no1 | [C][C][C][O][C][C][N][Ring1][=Branch1][C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][O][Ring1][#C] | CC1COCCN14.c16ccccc13.c15nc6no1.O3C(F)F.C45 |
1933756 | CC1CN(CC(=O)NC2CC2)CCN1CC(=O)NC1CC1 | [C][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][N][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | CC1CN5CCN16.C5C3=O.C6C4=O.C17CC1.C18CC1.N37.N48 |
1933757 | Fc1cc(F)c2c(c1)CCCN2Cc1cccnc1 | [F][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][N][Ring1][#Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Fc1cc(F)c2c(c1)CCCN23.c14cccnc1.C34 |
1933758 | N#Cc1ccc(N2CCCC(NS(=O)(=O)c3ccccc3)C2)cn1 | [N][#C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][C][=N][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.N#Cc1ccc5cn1.N15CCCC6C1.N46 |
1933759 | Cc1cc(NC(=O)NCC(C2CC2)C2CC2)n(Cc2ccccn2)n1 | [C][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring2][Ring1][Branch2] | Cc1cc6n7n1.c18ccccn1.C5C9%10.C34=O.C19CC1.C1%10CC1.N36.N45.C78 |
1933761 | CC(NC(=O)CCOC1CCOCC1)c1ccc2c(c1)CCC2 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c17ccc2c(c1)CCC2.C15CCOCC1.C3(=O)CC4.CC67.N36.O45 |
1933762 | Cc1nccc(N(C)Cc2nc(-c3cccnc3)no2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][Ring2][Ring1][Ring2] | Cc1nccc5n1.c16nc7no1.c17cccnc1.N45C.C46 |
1933763 | O=C(CSc1cn[nH]n1)N1CCOC(c2ccc(F)cc2)C1 | [O][=C][Branch1][#Branch2][C][S][C][C][=N][NH1][N][=Ring1][Branch1][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | N13CCOC6C1.c16ccc(F)cc1.c15cn[nH]n1.O=C3C4.S45 |
1933764 | CNC(=O)c1ccc(CN(Cc2ccco2)c2ccnc(C)n2)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c17ccc9cc1.c16ccnc(C)n1.c18ccco1.C37=O.N456.CN3.C49.C58 |
1933765 | Cc1cc(CCC(=O)Nc2ccc3c(c2)OCC(=O)N3)c(C)s1 | [C][C][=C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][Branch1][C][C][S][Ring2][Ring1][=Branch1] | c15ccc2c(c1)OCC(=O)N2.Cc1cc6c(C)s1.C6CC4=O.N45 |
1933766 | CCC(OC1CCCCC1)C(=O)Nc1cnn(-c2ccccn2)c1 | [C][C][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O] | CCC4C3=O.C15CCCCC1.c16cnn7c1.c17ccccn1.O45.N36 |
1933767 | CCC(C)(NCc1cc(Br)cc2cccnc12)C(N)=O | [C][C][C][Branch1][C][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][Branch1][C][N][=O] | c15cc(Br)cc2cccnc12.CCC3(C)C(N)=O.N34.C45 |
1933768 | Cc1cc(=O)c(C(=O)N(C)CCCNc2ccccc2)c[nH]1 | [C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][Ring2][Ring1][Branch1] | Cc1cc(=O)c7c[nH]1.c16ccccc1.C4CC5.C37=O.N34C.N56 |
1933770 | NC(C(=O)Nc1ccnc2ccnn12)c1ccccc1 | [N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccnc2ccnn12.c15ccccc1.NC5C3=O.N34 |
1933771 | CC(C)c1nnc(Cn2ccc(-c3cccs3)n2)o1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][C][C][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][O][Ring1][S] | c15nnc6o1.n14ccc7n1.c17cccs1.CC5C.C46 |
1933772 | Fc1ccc(F)c(-c2csc(Nc3ncnc4nccnc34)n2)c1 | [F][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][C][=C][S][C][Branch1][S][N][C][=N][C][=N][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S][=C][Ring2][Ring1][#Branch1] | c16ncnc2nccnc12.Fc1ccc(F)c7c1.c17csc5n1.N56 |
1933773 | Cc1cc(Cl)ccc1C(=O)NCC(O)CN1CCOCC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1] | Cc1cc(Cl)ccc15.N14CCOCC1.C3C(O)C4.C25=O.N23 |
1933774 | O=C1c2ccccc2CS(=O)(=O)N1Cc1csc(C2CC2)n1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][C][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2] | O=C1c2ccccc2CS(=O)(=O)N13.c14csc5n1.C15CC1.C34 |
1933775 | CC(=O)NCC(C)OC(=O)c1ccc2nc(C)ccc2c1 | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c17ccc2nc(C)ccc2c1.C6C5C.CC4=O.C37=O.N46.O35 |
1933776 | CNC(=O)NCC(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 | [C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c19ccc(Cl)cc1.c18nc9cs1.C6C5=O.C34=O.CN3.N46.N57.C78 |
1933777 | COC(=O)CCCNC(=O)c1c[nH]c2nccc(Cl)c12 | [C][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][#Branch1] | c16c[nH]c2nccc(Cl)c12.C3(=O)CCC5.C46=O.CO3.N45 |
1933778 | Cc1cccc(CNC(=O)Cn2cnc(-c3ccccn3)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.n16cnc8n1.c18ccccn1.C4(=O)C6.C57.N45 |
1933779 | CN1CCOC(C(=O)NCC(=O)c2cccs2)C1 | [C][N][C][C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][P] | CN1CCOC5C1.c16cccs1.C4C6=O.C35=O.N34 |
1933780 | CC(C)n1cccc1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 | [C][C][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O] | c16ccc7cc1.n15cccc14.C7S(N)(=O)=O.CC5C.C24=O.N23.C36 |
1933782 | COc1cc(C(=O)Nc2cnoc2C)ccc1Cl | [C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][Ring1][#C][Cl] | c14cc6ccc1Cl.c15cnoc1C.C36=O.CO4.N35 |
1933783 | Cc1oncc1NC(=O)c1cc(F)c(F)cc1F | [C][C][O][N][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] | c14cc(F)c(F)cc1F.Cc1oncc13.C24=O.N23 |
1933784 | Cc1csc(CNC(=O)C(O)c2ccccc2Cl)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][C] | c16ccccc1Cl.Cc1csc5n1.C3(=O)C6O.C45.N34 |
1933785 | COc1cccc(C(O)C(=O)N(C)Cc2cn(C)nc2C(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1] | c14cccc7c1.c18cn(C)nc16.C7(O)C3=O.N35C.C6(C)C.CO4.C58 |
1933786 | Cc1nc2ccccc2n1CCSc1nc(N)c(C#N)cc1C#N | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][S][C][=N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][C][#N] | c15nc(N)c(C#N)cc1C#N.Cc1nc2ccccc2n14.C4C3.S35 |
1933787 | O=C(c1ccncc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C] | c16ccc(F)c(Cl)c1.N13CCN4CC1.c15ccncc1.O=C35.C46 |
1933789 | Cc1nnc(COC(=O)c2cncc(F)c2)n1C1CC1 | [C][C][=N][N][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][S][C][C][C][Ring1][Ring1] | Cc1nnc6n17.c15cncc(F)c1.C35=O.C17CC1.C46.O34 |
1933790 | CC(C)(CNc1ccc(N2CCCC2=O)cn1)c1ccccc1 | [C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc6cn1.N16CCCC1=O.c15ccccc1.CC5(C)C3.N34 |
1933794 | Cc1ccc(C(=O)OCCn2cc(Br)ccc2=O)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][N][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=O][N][=C][Ring2][Ring1][Ring1] | n16cc(Br)ccc1=O.Cc1ccc5nc1.C35=O.C4C6.O34 |
1933795 | CCc1cnccc1C(=O)Nc1ccc2c(c1)CCCN2C(C)=O | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][Branch1][C][C][=O] | c15ccc2c(c1)CCCN24.c17cnccc16.C36=O.C4(C)=O.CC7.N35 |
1933796 | CCc1cnccc1C(=O)NC1CCCc2nc(C)ncc21 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][Ring1][O] | N3C1CCCc2nc(C)ncc21.c15cnccc14.C34=O.CC5 |
1933797 | Cc1ncc(CCNC(=O)N2CCOC(Cc3ccccc3)C2)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][S][Ring2][Ring1][#Branch1] | N15CCOC7C1.Cc1ncc8s1.c19ccccc1.C8C6.C45=O.N46.C79 |
1933798 | O=C(OCC1CCCCO1)c1ccc(Cn2ccnc2)cc1 | [O][=C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N] | c15ccc8cc1.C17CCCCO1.n16ccnc1.O=C35.O34.C47.C68 |
1933799 | COc1ncccc1N(C)C(=O)c1cnn(-c2cccc(Cl)c2)n1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][N] | c14ncccc15.c17cccc(Cl)c1.c16cnn7n1.N35C.C36=O.CO4 |
1933800 | CC(Nc1cnn(CC(F)F)c1)c1nc2ccccc2n1C | [C][C][Branch1][P][N][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c16nc2ccccc2n1C.c14cnn5c1.C5C(F)F.CC36.N34 |
1933801 | O=C(NCCCO)c1ccc(NC(=O)c2coc3ccccc23)cc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c19coc2ccccc12.c18ccc7cc1.C6CCO.O=C48.C59=O.N46.N57 |
1933802 | Cc1csc(CNc2cc(C)c(Br)cn2)n1 | [C][C][=C][S][C][Branch1][P][C][N][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][=N][Ring1][Branch2][=N][Ring1][#C] | c14cc(C)c(Br)cn1.Cc1csc5n1.C35.N34 |
1933803 | Cc1cc(C)n2c(CNc3nnc(CCC(C)C)o3)cnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch2][Ring1][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][C][C][Branch1][C][C][C][O][Ring1][#Branch2][=C][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2c6cnc2n1.c15nnc7o1.C7CC(C)C.C46.N45 |
1933804 | NC(=O)c1csc(CNc2nnc(Cc3ccccc3F)o2)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][=Branch1][C][N][C][=N][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][=N][=C][Ring2][Ring1][Ring2] | c19ccccc1F.c16csc7c1.c15nnc8o1.NC6=O.C47.N45.C89 |
1933805 | CCn1cc(CNc2nnc(C(C)C)s2)cn1 | [C][C][N][C][=C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][=N][Ring1][#C] | n15cc7cn1.c14nnc6s1.C6(C)C.CC5.C37.N34 |
1933806 | Cc1ccc2ncc(CNc3nnc(C4Cc5ccccc5O4)o3)n2c1 | [C][C][C][=C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=N][N][=C][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][O][Ring1][=C][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2] | Cc1ccc2ncc8n2c1.C19Cc2ccccc2O1.c17nnc9o1.C68.N67 |
1933807 | CC(C)(C)c1cc(NC2CCN(C(N)=O)CC2)n(-c2ccccc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | c16cc4n7n1.C15CCN3CC1.c17ccccc1.CC6(C)C.C3(N)=O.N45 |
1933808 | CC(Nc1cnn(CC2CCCO2)c1)c1cnn(C(C)C)c1 | [C][C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2] | c14cnn5c1.c18cnn6c1.C17CCCO1.CC38.C6(C)C.N34.C57 |
1933809 | CC(Nc1cccc(C(=O)N2CCCC2)c1)C1CCOCC1 | [C][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][C][C][O][C][C][Ring1][=Branch1] | c15cccc6c1.C17CCOCC1.N13CCCC1.CC47.C36=O.N45 |
1933810 | Cc1cc(=O)n(Cc2ccc(C#N)cc2Br)cn1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Br][C][=N][Ring1][P] | c14ccc(C#N)cc1Br.Cc1cc(=O)n3cn1.C34 |
1933812 | CCn1nccc1CNc1cccc(Cl)c1N(C)C | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][C][C][C] | c13cccc(Cl)c14.n15nccc16.N4(C)C.CC5.C26.N23 |
1933813 | CC(CNC(=O)c1ccc(O)cc1F)CN1CCOCC1 | [C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][C][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(O)cc1F.N14CCOCC1.CC(C3)C4.C25=O.N23 |
1933814 | CC(NC(=O)c1ccc(O)cc1F)C(O)Cc1ccccc1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(O)cc1F.CC3C(O)C5.c15ccccc1.C24=O.N23 |
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