ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923092 | CCC(NC(=O)c1[nH]c(C)cc1C)c1ccccc1OCC(=O)NC | [C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C] | c17[nH]c(C)cc1C.c18ccccc15.CCC68.C4C3=O.C27=O.N26.O45.N3C |
1923093 | CN(CCSc1ncc(CO)n1C)c1ccccc1 | [C][N][Branch1][S][C][C][S][C][=N][C][=C][Branch1][Ring1][C][O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ncc5n1C.c14ccccc1.CN24.C2C3.S36.C5O |
1923094 | CCc1nsc(SCC(=O)Nc2ccc(F)cc2)n1 | [C][C][C][=N][S][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][P] | c15ccc(F)cc1.c16nsc7n1.C4C3=O.CC6.S47.N35 |
1923095 | CCc1ccc(CN(Cc2cccnc2)C(=O)c2cc[nH]c(=O)c2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | c17ccc8cc1.c16cc[nH]c(=O)c1.c19cccnc1.N345.C36=O.CC7.C48.C59 |
1923096 | CNC(=O)c1ccc(Cn2cncc(Br)c2=O)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][N][C][=N][C][=C][Branch1][C][Br][C][Ring1][#Branch1][=O][C][=C][Ring1][#C] | n15cncc(Br)c1=O.c14ccc6cc1.C34=O.CN3.C56 |
1923099 | CSc1nc(-c2ccccc2)cn1Cc1cc(C)on1 | [C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c15nc6cn13.c16ccccc1.c14cc(C)on1.CS5.C34 |
1923100 | CSc1nc(-c2ccccc2)cn1Cc1ccon1 | [C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][C][C][=C][O][N][=Ring1][Branch1] | c15nc6cn13.c16ccccc1.c14ccon1.CS5.C34 |
1923101 | Cc1nn(Cc2nc(C(C)(C)C)cs2)c(N)c1C#N | [C][C][=N][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][C][Branch1][C][N][=C][Ring1][S][C][#N] | Cc1nn3c(N)c1C#N.c14nc5cs1.C5(C)(C)C.C34 |
1923102 | Cc1ncsc1-c1nc(CNc2cc(F)cc(F)c2)no1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=N][C][Branch1][P][C][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][O][Ring1][#C] | c14cc(F)cc(F)c1.Cc1ncsc16.c16nc5no1.C35.N34 |
1923103 | O=C(Nc1ccc(F)cc1)c1ccc(CNc2ncccn2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc(F)cc1.c17ccc8cc1.c15ncccn1.O=C37.N36.C48.N45 |
1923104 | CCc1oc(C(=O)Nc2c(C)nn(C)c2-n2cncn2)cc1C | [C][C][C][O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][N][C][=N][C][=N][Ring1][Branch1][=C][C][=Ring2][Ring1][Ring2][C] | c14c(C)nn(C)c17.c16oc5cc1C.n17cncn1.C35=O.CC6.N34 |
1923105 | CC(C)NC(=O)N1CCCC1C(=O)Nc1ccc2scnc2c1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c17ccc2scnc2c1.N14CCCC18.CC6C.C34=O.C58=O.N36.N57 |
1923106 | COCc1nc(C)cc(N2CCCC(Nc3ccccc3)C2)n1 | [C][O][C][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c18nc5cc(C)n1.N15CCCC7C1.c16ccccc1.CO4.C48.N67 |
1923107 | c1ccc(NC2CCCN(c3ncccn3)C2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Ring1] | C16CCCN4C1.c1ccc5cc1.c14ncccn1.N56 |
1923108 | CCc1oc(C(=O)Nc2ncccc2OCc2cccnc2)cc1C | [C][C][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=Ring2][Ring1][=Branch1][C] | c18oc7cc1C.c16ncccc15.c19cccnc1.C37=O.CC8.N36.O45.C49 |
1923109 | CC1(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)CC1 | [C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1] | N15CCN6CC1.c16ccnc8n1.c18ccccc1.CC17CC1.C57=O |
1923110 | O=C(NCc1ccccc1Oc1ccccc1F)c1cc[nH]c(=O)c1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1] | c17ccccc13.c14ccccc1F.c16cc[nH]c(=O)c1.O=C26.N25.C57.O34 |
1923111 | COc1ccsc1S(=O)(=O)N(Cc1ccsc1)C1CC1 | [C][O][C][C][=C][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c12ccsc1S4(=O)=O.c16ccsc1.N345.C15CC1.CO2.C36 |
1923112 | Cc1cc(C)c(C(=O)N2CCN(CCNC(=O)C3CCCC3)CC2)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][S][NH1][Ring2][Ring1][Branch2] | Cc1cc(C)c8[nH]1.N14CCN6CC1.C19CCCC1.C48=O.C6C7.C59=O.N57 |
1923113 | COCCC1(C(=O)NC2CC2c2cccc(F)c2F)CCC1 | [C][O][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][C][C][Ring2][Ring1][C] | c18cccc(F)c1F.C167CCC1.C15CC18.C4C7.C36=O.CO4.N35 |
1923114 | COc1ccsc1S(=O)(=O)NC(C)(C)c1cnn(C)c1 | [C][O][C][C][=C][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c12ccsc1S4(=O)=O.c15cnn(C)c1.C35(C)C.CO2.N34 |
1923115 | Cc1n[nH]c(C(NC(=O)C(C)OC2CCCCCC2)C(C)C)n1 | [C][C][=N][NH1][C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][=Branch1] | C15CCCCCC1.Cc1n[nH]c7n1.C67C(C)C.C3(=O)C4C.N36.O45 |
1923116 | c1ccc(Cn2cncn2)c(CNCc2cnc(C3CCC3)s2)c1 | [C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Branch2][Ring1][Ring1][C][N][C][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][Ring1][=Branch2][=C][Ring2][Ring1][Branch2] | c1ccc8c9c1.c17cnc%10s1.n16cncn1.C1%10CCC1.C68.C49.N45.C57 |
1923117 | COc1ccc2c(c1)OCCC2NCc1cnc(C2CCC2)s1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][Ring1][#Branch1][N][C][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][Ring1][=Branch2] | c13ccc2c(c1)OCCC2N4.c15cnc6s1.C16CCC1.CO3.C45 |
1923118 | Cc1nc(CNc2ccn(CCCC(=O)N(C)C)n2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][N][C][C][=C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=Ring1][=N][=C][S][Ring2][Ring1][Ring2] | Cc1nc7cs1.c15ccn6n1.C6CCC3=O.N3(C)C.C47.N45 |
1923119 | COCCCn1ccc(NCc2csc(C)n2)n1 | [C][O][C][C][C][N][C][=C][C][Branch1][=N][N][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][Ring1][=N] | n16ccc5n1.c17csc(C)n1.C3CC6.CO3.N45.C47 |
1923120 | O=C(Nc1ccc2nn[nH]c2c1)c1ccc2c(c1)CCO2 | [O][=C][Branch1][#C][N][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c14ccc2nn[nH]c2c1.c15ccc2c(c1)CCO2.O=C35.N34 |
1923121 | Cn1cc(C(=O)NCCOc2ccc(Cl)cn2)ccc1=O | [C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][Ring2][Ring1][Ring1][=O] | Cn1cc7ccc1=O.c15ccc(Cl)cn1.C37=O.C6C4.N36.O45 |
1923122 | CC(=O)NCC(=O)Nc1ccc2[nH]c(-c3ccc(Cl)cn3)nc2c1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][C][Ring1][N][=C][Ring1][S] | c17ccc2[nH]c8nc2c1.c18ccc(Cl)cn1.C6C5=O.CC4=O.N46.N57 |
1923123 | COCCC1(CNC(=O)N2CCC3(CCOC3)C2)CCC1 | [C][O][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring1][P] | N15CCC2(CCOC2)C1.C189CCC1.C6C8.C45=O.CO6.C79.N47 |
1923124 | CCc1ncc(CN(C)Cc2nnc(Cc3ccccc3C)o2)s1 | [C][C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][C][=N][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][=N][S][Ring2][Ring1][=Branch1] | c1%10ccccc1C.c16ncc7s1.c18nnc9o1.N45C.CC6.C47.C58.C9%10 |
1923126 | O=C(NC1CCN(C(=O)C2CCCCC2)C1)C1CCCc2[nH]ncc21 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][C][C][C][C][C][NH1][N][=C][C][=Ring1][Branch1][Ring1][=Branch2] | O=C3C1CCCc2[nH]ncc21.C15CCN4C1.C16CCCCC1.C46=O.N35 |
1923127 | Nc1nccnc1C(=O)N1CCCc2cc(-c3ccccc3)ccc21 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][Ring1][S] | N14CCCc2cc6ccc21.Nc1nccnc15.c16ccccc1.C45=O |
1923128 | FC(F)(F)c1ccc2c(c1)N(Cc1nc(C3CC3)no1)CCO2 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][C][O][Ring1][S] | c16ccc2c(c1)N4CCO2.c15nc7no1.FC6(F)F.C17CC1.C45 |
1923129 | COc1ncc(Cl)c(N2CCN(Cc3nc(C)no3)CC2)n1 | [C][O][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c14ncc(Cl)c6n1.N16CCN5CC1.c17nc(C)no1.CO4.C57 |
1923130 | Cc1nnc(-c2cccc(C(=O)OCc3cccs3)c2)o1 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C][O][Ring2][Ring1][Ring2] | c18cccc6c1.Cc1nnc8o1.c17cccs1.C46=O.O45.C57 |
1923131 | CCCC(=O)N1CCC(OC(=O)c2cc(C)c(CC)o2)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][C][O][Ring1][Branch2][C][C][Ring1][P] | N14CCC5CC1.c16cc(C)c7o1.CCCC4=O.C36=O.O35.C7C |
1923132 | O=C(c1ccco1)N1CCN(Cc2nc(-c3cccs3)n[nH]2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][C][Ring1][P] | N14CCN5CC1.c17nc8n[nH]1.c16ccco1.c18cccs1.O=C46.C57 |
1923133 | Cc1noc(C)c1C(=O)OCCOc1cncc(Br)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | Cc1noc(C)c16.c15cncc(Br)c1.C26=O.C3C4.O23.O45 |
1923134 | Cc1cccc(C(=O)OCCOc2cncc(Br)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cccc7n1.c16cncc(Br)c1.C37=O.C4C5.O34.O56 |
1923135 | CC(=O)Nc1cc(C(=O)OCc2ncc(C)o2)cc(C(F)(F)F)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][=N][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2] | c16cc7cc9c1.c18ncc(C)o1.C9(F)(F)F.CC4=O.C37=O.N46.O35.C58 |
1923136 | CC(NC(=O)NC1(CO)CCCC1)c1cccs1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | C157CCCC1.c16cccs1.CC46.C23=O.N24.N35.C7O |
1923137 | CC(C)N(C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 | [C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N] | c16ccc2oc7nc2c1.C7(F)(F)F.CC5C.N35C.C34=O.N46 |
1923138 | CSc1ccc(CNC(=O)NC2CCCC3OCCC23)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][C][C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | C17CCCC2OCCC12.c19ccc8cc1.C45=O.CS9.C68.N46.N57 |
1923140 | CC(C)Cc1cnc(NC(=O)N(C)C(C)c2cccnc2)s1 | [C][C][Branch1][C][C][C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring2][Ring1][C] | c17cnc6s1.c18cccnc1.CC(C)C7.C34=O.N45C.C58C.N36 |
1923141 | O=c1sc2c(n1Cc1nnc(-c3ccco3)o1)CCCC2 | [O][=C][S][C][=C][Branch2][Ring1][Branch1][N][Ring1][Branch1][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][C][C][C][Ring2][Ring1][C] | O=c1sc2c(n14)CCCC2.c15nnc6o1.c16ccco1.C45 |
1923142 | O=C(NCc1c(F)c(F)cc(F)c1F)NC1CCCC2OCCC12 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F][N][C][C][C][C][C][O][C][C][C][Ring1][=Branch2][Ring1][Branch1] | c17c(F)c(F)cc(F)c1F.C16CCCC2OCCC12.O=C34.N35.C57.N46 |
1923143 | COCCC1(CNC(=O)NC2(c3noc(C)n3)CCCC2)CCC1 | [C][O][C][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][C][C][Ring1][O][C][C][C][Ring2][Ring1][Ring2] | C18%11CCCC1.c1%11noc(C)n1.C19%10CCC1.C6C9.C45=O.CO6.C7%10.N47.N58 |
1923144 | Cc1cc(C)n(-c2ccccc2CNC(=O)N(C)C2CCC2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring2][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n8n1.c18ccccc17.C16CCC1.C34=O.N46C.C57.N35 |
1923146 | CCCc1nn(C2CCCN(c3cnn(C)c3)C2=O)c(=O)o1 | [C][C][C][C][=N][N][Branch2][Ring1][=Branch1][C][C][C][C][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][N][=O][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] | C15CCCN6C1=O.c14nn5c(=O)o1.c16cnn(C)c1.CCC4 |
1923148 | COCCOc1ccc(CNC(=O)c2cnc3ccccn23)cn1 | [C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | c19cnc2ccccn12.c17ccc%10cn1.C5C6.C49=O.CO5.O67.C8%10.N48 |
1923149 | O=C(c1cccnc1)N1CCC(NCc2cnc(C3CCC3)s2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][C][N][C][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][Ring1][=Branch2][C][Ring1][S] | c17cccnc1.N14CCC6C1.c18cnc9s1.C19CCC1.O=C47.N56.C58 |
1923150 | Cc1ccc2c(c1C)OCC2NC(=O)NC(C)C1CCOCC1 | [C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][O][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch1] | Cc1ccc2c(c1C)OCC2N3.C16CCOCC1.C34=O.C56C.N45 |
1923151 | Cc1cc(CNC(=O)N2CCC(Oc3cccnc3)C2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | Cc1cc9c(C)o1.N15CCC6C1.c17cccnc1.C45=O.C89.N48.O67 |
1923152 | CCc1nc(CN(C)C(=O)C#Cc2ccc3c(c2)OCO3)cs1 | [C][C][C][=N][C][Branch2][Ring1][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring2][Ring1][Branch1] | C4(=O)C#Cc1ccc2c(c1)OCO2.c16nc7cs1.N45C.CC6.C57 |
1923153 | O=C(NCCC1CCC1)NC1CCN(C(=O)c2ccncc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Ring2][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N] | C17CCN5C1.c18ccncc1.C19CCC1.O=C34.C6C9.C58=O.N36.N47 |
1923156 | CC(NC(=O)Nc1cnc(C(C)(C)C)nc1)C1CCOCC1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][C][C][C][O][C][C][Ring1][=Branch1] | c15cnc6nc1.C17CCOCC1.C6(C)(C)C.CC47.C23=O.N24.N35 |
1923157 | C=C(C)COCCNC(=O)Nc1ccc2c(c1)C(=O)CCC2 | [C][=C][Branch1][C][C][C][O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2] | c18ccc2c(c1)C(=O)CCC2.C=C(C)C5.C6C7.C34=O.O56.N37.N48 |
1923158 | CC(C)n1ccc(CNC(=O)C#Cc2ccc3c(c2)OCO3)n1 | [C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | C4(=O)C#Cc1ccc2c(c1)OCO2.n16ccc7n1.CC6C.C57.N45 |
1923159 | O=C(Cc1cc(-c2ccccc2)on1)NCC(O)Cc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][N][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc7on1.c17ccccc1.c16ccccc1.C4C(O)C6.O=C3C5.N34 |
1923160 | CC(=O)c1ccccc1C(=O)NCC(O)Cc1ccccc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.c16ccccc1.C3C(O)C6.CC4=O.C25=O.N23 |
1923162 | Cc1noc(CCCNC(=O)N2CCc3ccccc3C2CO)n1 | [C][C][=N][O][C][Branch2][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][O][=N][Ring2][Ring1][#Branch1] | N15CCc2ccccc2C1CO.Cc1noc7n1.C7CC6.C45=O.N46 |
1923163 | CCC(NC(=O)N1CCC(Oc2cccnc2)C1)c1nc(C)cs1 | [C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1] | N14CCC5C1.c16cccnc1.c18nc(C)cs1.CCC78.C34=O.N37.O56 |
1923165 | CCC(=O)N1CCC(NC(=O)NC(c2ccc(C)o2)C(C)(C)C)C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2] | N13CCC7C1.C68C(C)(C)C.c18ccc(C)o1.CCC3=O.C45=O.N47.N56 |
1923167 | Cc1noc(CCC(=O)NCCOc2ncc(Cl)cc2Cl)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Branch1] | c15ncc(Cl)cc1Cl.Cc1noc7n1.C7CC3=O.C6C4.N36.O45 |
1923168 | Cn1cc(Cl)cc1CNC(=O)N1CCc2ccccc2C1CO | [C][N][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][O] | N14CCc2ccccc2C1CO.Cn1cc(Cl)cc16.C34=O.C56.N35 |
1923169 | Cc1ccc2ccccc2c1NC(=O)CCn1c(C)c(C)sc1=O | [C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O] | Cc1ccc2ccccc2c14.n15c(C)c(C)sc1=O.C3(=O)CC5.N34 |
1923170 | O=C(Cc1ccn[nH]1)N(Cc1ccccc1)CC1(O)CCCC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=N][NH1][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1] | c17ccccc1.C16(O)CCCC1.c15ccn[nH]1.O=C2C5.N234.C37.C46 |
1923171 | CCCc1nc(C(NC(=O)c2n[nH]c(=O)[nH]2)c2ccccc2)no1 | [C][C][C][C][=N][C][Branch2][Ring1][O][C][Branch1][S][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][Branch1] | c16nc7no1.c15n[nH]c(=O)[nH]1.c18ccccc1.CCC6.C478.C35=O.N34 |
1923173 | CCc1n[nH]c(=O)c(CNC(=O)c2cc(C)n[nH]2)c1CC | [C][C][C][=N][NH1][C][=Branch1][C][=O][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][=C][Ring1][P][C][C] | c16n[nH]c(=O)c7c18.c15cc(C)n[nH]1.C35=O.CC6.C47.N34.C8C |
1923174 | CN(c1nc(CSc2ncc(C#N)c(N)n2)cs1)C1CC1 | [C][N][Branch2][Ring1][N][C][=N][C][Branch2][Ring1][C][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][=C][S][Ring1][S][C][C][C][Ring1][Ring1] | c17ncc(C#N)c(N)n1.c14nc6cs1.CN45.C15CC1.C36.S37 |
1923175 | CCCc1nnnn1Cc1csc(N(C)C2CC2)n1 | [C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][S][C][Branch1][#Branch2][N][Branch1][C][C][C][C][C][Ring1][Ring1][=N][Ring1][#Branch2] | c16nnnn15.c17csc3n1.CCC6.N34C.C14CC1.C57 |
1923176 | Cc1[nH]ccc1C(=O)NC(C)CC(O)c1ccccc1 | [C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1[nH]ccc14.C3(C)CC5O.c15ccccc1.C24=O.N23 |
1923177 | Cc1csc([S+]([O-])CC(=O)NCCOc2ccc(F)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch2][S+1][Branch1][C][O-1][C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1csc([S+]([O-])CC3=O)n1.c15ccc(F)cc1.C6C4.N36.O45 |
1923178 | CC(=O)NC1CCCN(C(=O)C[S+]([O-])c2cccc(C)c2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C] | C4(=O)C[S+]([O-])c1cccc(C)c1.C15CCCN4C1.CC3=O.N35 |
1923179 | CCOc1cc2c(cc1NCc1cn3cccnc3n1)OC(C)C2 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][N][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][O][C][Branch1][C][C][C][Ring2][Ring1][Ring1] | c15cc2c(cc17)OC(C)C2.c18cn2cccnc2n1.CC4.O45.N67.C68 |
1923181 | Cc1occc1C(=O)N1CCCCCC1CC(O)c1ccco1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | N12CCCCCC14.Cc1occc13.c15ccco1.C4C5O.C23=O |
1923182 | Cc1ccoc1C(=O)N1CCCCCC1CC(O)c1ccco1 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | N12CCCCCC14.Cc1ccoc13.c15ccco1.C4C5O.C23=O |
1923183 | O=C(CC1COCCN1C(=O)c1ccsc1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | C15COCCN12.c14ccsc1.c13ccco1.O=C3C5.C24=O |
1923184 | COCc1nc(C)cc(N(CC(O)c2ccccc2)C2CC2)n1 | [C][O][C][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Ring2] | c17nc5cc(C)n1.c18ccccc1.C4C8O.N456.C16CC1.CO3.C37 |
1923185 | N#Cc1cccnc1N(CC(O)c1ccccc1)C1CC1 | [N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | N#Cc1cccnc13.c15ccccc1.C2C5O.N234.C14CC1 |
1923186 | O=C(NCCc1nc[nH]n1)Nc1ccc(Cl)cc1-n1cccc1 | [O][=C][Branch1][O][N][C][C][C][N][=C][NH1][N][=Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Ring1][Branch1] | c15ccc(Cl)cc17.c16nc[nH]n1.n17cccc1.O=C23.C4C6.N24.N35 |
1923187 | O=C(NCCc1nc[nH]n1)Nc1cc(F)cc(Br)c1 | [O][=C][Branch1][O][N][C][C][C][N][=C][NH1][N][=Ring1][Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2] | c15cc(F)cc(Br)c1.c16nc[nH]n1.O=C23.C4C6.N24.N35 |
1923188 | COC(=O)c1ccc(-c2nnn(CC3CC3)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][=Ring1][=Branch2][C][=C][Ring1][#C] | c15ccc8cc1.c18nnn6n1.C45=O.C17CC1.CO4.C67 |
1923189 | CCOC(=O)c1c(C)oc2ncn(Cc3nc(C)cs3)c(=O)c12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][N][=C][N][Branch1][N][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][=Ring1][=C] | c16c(C)oc2ncn7c(=O)c12.c18nc(C)cs1.C46=O.CC5.O45.C78 |
1923190 | CCOC(=O)c1cn(Cc2nc(C)cs2)c2nc(C)ccc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O] | c15cn6c2nc(C)ccc2c1=O.c17nc(C)cs1.C35=O.CC4.O34.C67 |
1923191 | Cc1nc(Cn2cnc3c(cnn3C(C)(C)C)c2=O)oc1C | [C][C][N][=C][Branch2][Ring1][#Branch2][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=O][O][C][=Ring2][Ring1][Ring2][C] | n14cnc2c(cnn25)c1=O.Cc1nc6oc1C.C5(C)(C)C.C46 |
1923192 | CC(C)Nc1cccc(CNC(=O)C(O)c2ccccc2)c1 | [C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c16cccc7c1.c18ccccc1.C3(=O)C8O.CC4C.N46.C57.N35 |
1923193 | Cc1csc(CNc2ccn(C(C)c3ccccc3)n2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][C][N][C][C][=C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=N][=N][Ring2][Ring1][Ring2] | Cc1csc7n1.c15ccn6n1.c18ccccc1.C68C.C47.N45 |
1923194 | O=C(Nc1ccnn1CC1CC1)c1cc(C2CC2)on1 | [O][=C][Branch1][#C][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2] | c14ccnn16.c15cc8on1.O=C35.C17CC1.C18CC1.N34.C67 |
1923195 | O=C(Nc1ccnn1CC1CC1)c1ccccc1-n1cnnn1 | [O][=C][Branch1][#C][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1] | c14ccccc17.c13ccnn15.n17cnnn1.O=C24.C16CC1.N23.C56 |
1923197 | O=C(NC1C2Cc3ccccc3C21)c1c(F)c(F)cc(F)c1F | [O][=C][Branch2][Ring1][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Ring1][#Branch2][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F] | C15C2Cc3ccccc3C12.c16c(F)c(F)cc(F)c1F.O=C46.N45 |
1923199 | O=C(Nc1cnc(C2CC2)nc1)N1CCCC(Nc2ccccc2)C1 | [O][=C][Branch1][P][N][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][N][C][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | c15cnc8nc1.N14CCCC7C1.c16ccccc1.O=C34.C18CC1.N35.N67 |
1923201 | CC(C)N1CCC(NC(=O)Nc2cc(C3CCC3)nn2C)C1=O | [C][C][Branch1][C][C][N][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][N][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][=O] | N18CCC7C1=O.c16cc9nn1C.C19CCC1.CC8C.C45=O.N47.N56 |
1923202 | Cc1ccc2c(c1)C(NC(=O)NC1(c3noc(C)n3)CCCC1)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][C][C][Ring1][O][C][O][Ring2][Ring1][Branch1] | Cc1ccc2c(c1)C(N4)CO2.C167CCCC1.c17noc(C)n1.C45=O.N56 |
1923203 | Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc(C)n1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][=C][C][Branch1][C][C][=N][Ring2][Ring1][Branch2] | Cc1cc5cc(C)n1.c17ccccc1F.c16ncc7o1.C4(=O)CC6.N45 |
1923204 | COCc1ccc(C2NC3(CCCC3)C(=O)N2CC2CC2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][Ring1][Ring1][O][Ring2][Ring1][Ring1] | C18NC2(CCCC2)C(=O)N15.c16ccc8o1.C17CC1.CO4.C46.C57 |
1923205 | COc1cc(C(C)NCCc2cccs2)ccc1S(C)(=O)=O | [C][O][C][=C][C][Branch1][#C][C][Branch1][C][C][N][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c13cc7ccc1S(C)(=O)=O.c16cccs1.C47C.C5C6.CO3.N45 |
1923207 | CC(NCCc1nnc2n1CCC2)c1cccc(OC(F)F)c1 | [C][C][Branch1][S][N][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2] | c16nnc2n1CCC2.c17cccc3c1.O3C(F)F.CC47.C5C6.N45 |
1923208 | COCCOc1ccc(CNC2Cc3ccccc3C2)cn1 | [C][O][C][C][O][C][=C][C][=C][Branch1][S][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=N][Ring1][P] | C18Cc2ccccc2C1.c16ccc9cn1.C4C5.CO4.O56.C79.N78 |
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