ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1935086 | CCCN(CCOC)C(=O)c1ncoc1C1CC1 | [C][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c16ncoc17.CCC4.N245.C5C3.C26=O.C17CC1.O3C |
1935089 | Cc1cc(C)nc(CN(C)C(=O)CCN2CCCC2=O)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring2][Ring1][Ring2] | Cc1cc6nc(C)c1.N15CCCC1=O.C3(=O)CC5.N34C.C46 |
1935090 | CCCCNC(=O)CN(C)C(=O)c1ncoc1C1CC1 | [C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c16ncoc17.CCCC4.C2(=O)C5.N35C.C36=O.C17CC1.N24 |
1935091 | Cc1ccc(Cl)c(-c2cncc(C(=O)N3CCCC3)n2)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring2] | Cc1ccc(Cl)c6c1.c16cncc5n1.N14CCCC1.C45=O |
1935092 | CCCCN(Cc1cccnc1)C(=O)c1cnc(C2CC2)nc1 | [C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2] | c16cnc8nc1.c17cccnc1.CCCC4.N345.C36=O.C18CC1.C57 |
1935093 | Cn1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1=O | [C][N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][=C][C][Ring2][Ring1][=Branch1][=O] | Cn1ccc7cc1=O.C168CCCCC1.N16CCOCC1.C47=O.N45.C58 |
1935095 | COCCN(Cc1ccccc1Cl)C(=O)CN1CCCCC1=O | [C][O][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c17ccccc1Cl.N16CCCCC1=O.C2(=O)C6.C3C4.N245.CO3.C57 |
1935096 | CN1CC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1=O | [C][N][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=O] | C4CS(=O)(=O)c1ccc(F)cc1.CN1CC5CC1=O.C35=O.N34 |
1935097 | Cc1cc(C)n(CCNc2nccc(-c3ccccn3)n2)c(=O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=Branch1][C][=O][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n6c(=O)n1.c15nccc7n1.c17ccccn1.C6C4.N45 |
1935098 | CC(NC(=O)c1cc(S(N)(=O)=O)ccc1F)C1=CCCCC1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][F][C][=C][C][C][C][C][Ring1][=Branch1] | c14cc(S(N)(=O)=O)ccc1F.CC3C1=CCCCC1.C24=O.N23 |
1935099 | O=C(NCCN1CCOCC1)c1ccc(Cn2cnnn2)cc1 | [O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][N] | c16ccc8cc1.N15CCOCC1.n17cnnn1.O=C36.C4C5.N34.C78 |
1935100 | Cc1cc(C(=O)N2CCOCC(O)C2)c2cccc(C)c2n1 | [C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][C][O][C][Ring1][Branch2][=C][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc4c2cccc(C)c2n1.N13CCOCC(O)C1.C34=O |
1935101 | Cc1nc2c(c(NCCC3CCCCO3)n1)Cc1ccccc1OC2 | [C][C][=N][C][=C][Branch2][Ring1][C][C][Branch1][N][N][C][C][C][C][C][C][C][O][Ring1][=Branch1][=N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][=Branch1] | Cc1nc5c2c(n1)COc1ccccc1C2.C16CCCCO1.C4C6.N45 |
1935102 | NS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2CCOCC2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | NS(=O)(=O)c1ccc(F)c6c1.N15CCOCC1.C4CC5.C36=O.N34 |
1935103 | Cc1cc2cc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)ccc2o1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][Branch2] | Cc1cc2cc6ccc2o1.c18c(C)nn7c1C.C46=O.N45C.C7(C)C.C58 |
1935104 | O=C(c1cn[nH]n1)N1CCN(c2ncnc3[nH]ccc23)CC(O)C1 | [O][=C][Branch1][Branch2][C][C][=N][NH1][N][=Ring1][Branch1][N][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Branch1][C][O][C][Ring1][P] | N14CCN5CC(O)C1.c15ncnc2[nH]ccc12.c16cn[nH]n1.O=C46 |
1935105 | CC(C)c1nnsc1CNC(=O)c1ccn2nnnc2c1 | [C][C][Branch1][C][C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][N][N][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c15ccn2nnnc2c1.c16nnsc17.CC6C.C35=O.C47.N34 |
1935106 | CCCN1CC(NC(=O)Nc2ccc(C)c(NC(=O)CC)c2)CC1=O | [C][C][C][N][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Ring1][N][C][C][Ring2][Ring1][Branch1][=O] | c16ccc(C)c7c1.N19CC8CC1=O.C5(=O)CC.CCC9.C34=O.N38.N46.N57 |
1935107 | Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cnc2ccnn12 | [C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C][C][=N][C][=C][C][=N][N][Ring2][Ring1][=Branch2][Ring1][Branch1] | Cc1c6cnc2ccnn12.c15ncccc1C#N.N14CCN5CC1.C46=O |
1935109 | Cc1nc2ncnn2c(C)c1CCC(=O)N(C)CCn1cccn1 | [C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=C][C][=N][Ring1][Branch1] | Cc1nc2ncnn2c(C)c16.C6CC3=O.n15cccn1.N34C.C4C5 |
1935111 | Cc1nc(C2CC2)ncc1-c1nc(C2CCOCC2)n[nH]1 | [C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][NH1][Ring1][O] | Cc1nc3ncc15.c15nc4n[nH]1.C14CCOCC1.C13CC1 |
1935112 | O=C(NCc1csc2c1CCCC2)c1ccnc(-n2cnnc2)c1 | [O][=C][Branch1][S][N][C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][O] | c16csc2c1CCCC2.c15ccnc7c1.n17cnnc1.O=C35.N34.C46 |
1935113 | Cc1cc(CNc2nc(C)nc3c2Cc2ccccc2OC3)on1 | [C][C][C][=C][Branch2][Ring1][O][C][N][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][O][N][=Ring2][Ring1][#Branch1] | c15nc(C)nc2c1Cc1ccccc1OC2.Cc1cc6on1.C46.N45 |
1935114 | COCc1cc(CN(C)C(=O)Cc2csc(C(C)=O)c2)n[nH]1 | [C][O][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][Branch2][=N][NH1][Ring2][Ring1][Ring1] | c17cc8n[nH]1.c19csc6c1.C3(=O)C9.N35C.C6(C)=O.CO4.C47.C58 |
1935115 | COc1cc(C)cc(-c2cncc(C(=O)N3CCCC3)n2)c1OC | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring2][O][C] | c15cc(C)cc8c16.c18cncc7n1.N14CCCC1.C47=O.CO5.O6C |
1935116 | COc1cccc(F)c1-c1cncc(C(=O)N2CCCC2)n1 | [C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N] | c14cccc(F)c16.c16cncc5n1.N13CCCC1.C35=O.CO4 |
1935117 | COc1c[nH]c(C(=O)NCC(C)n2nc(C)cc2C)cc1=O | [C][O][C][=C][NH1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Ring1][=O] | c14c[nH]c6cc1=O.n17nc(C)cc1C.C5C7C.C36=O.CO4.N35 |
1935118 | c1ccc2c(Cc3nc(C4CCOC4)n[nH]3)n[nH]c2c1 | [C][=C][C][=C][C][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=N][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c1ccc2c5n[nH]c2c1.c16nc7n[nH]1.C17CCOC1.C56 |
1935119 | CCOc1ccc(C(C)NC(=O)CN2CCCCC2=O)cc1F | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1][F] | c15ccc8cc1F.N17CCCCC1=O.C3(=O)C7.C68C.CC4.O45.N36 |
1935120 | CC(C)N1CCOC(CC(=O)NCCc2ccco2)C1 | [C][C][Branch1][C][C][N][C][C][O][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][P] | N14CCOC6C1.c17ccco1.C6C3=O.CC4C.C5C7.N35 |
1935122 | Cc1ccc(CN2CCN(Cc3[nH]nc(C)c3Cl)C(C)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][=N][C][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][Cl][C][Branch1][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] | N15CCN4C(C)C1=O.Cc1ccc7cc1.c16[nH]nc(C)c1Cl.C57.C46 |
1935123 | c1n[nH]cc1-c1nc(C2CCOC2)nn1CC1CCCCC1 | [C][=N][NH1][C][=C][Ring1][Branch1][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][N][Ring1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1] | c16nc5nn13.C14CCCCC1.c1n[nH]cc16.C15CCOC1.C34 |
1935124 | CC(C)c1nc(CN2CCCN(c3ncccn3)CC2)co1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][=C][O][Ring2][Ring1][Ring1] | N14CCCN5CC1.c16nc7co1.c15ncccn1.CC6C.C47 |
1935125 | Cc1ccc(NC(=O)N(C)C(C)c2ccncn2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc6cc1C.c17ccncn1.C34=O.N45C.C57C.N36 |
1935126 | CN(Cc1cnc2ccccc2n1)Cc1cnc(N2CCCC2)s1 | [C][N][Branch1][S][C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2] | c16cnc2ccccc2n1.c17cnc5s1.N15CCCC1.CN34.C36.C47 |
1935127 | CCC(=O)NC(C)C(=O)N1CCn2nc(Cc3ccccc3)cc2C1 | [C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][S] | N15CCn2nc7cc2C1.c18ccccc1.C6(C)C5=O.CCC4=O.N46.C78 |
1935128 | Cc1c(Cl)cccc1CNC(=O)CN1CCCCC1=O | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | Cc1c5cccc1Cl.N14CCCCC1=O.C2(=O)C4.C35.N23 |
1935129 | CSc1nnc(SCc2csc(C)n2)s1 | [C][S][C][=N][N][=C][Branch1][=N][S][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][S][Ring1][=N] | c15nnc6s1.c14csc(C)n1.CS5.S36.C34 |
1935130 | CC(C)c1nnsc1CNC(=O)c1cnc(-c2ccncc2)nc1 | [C][C][Branch1][C][C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N] | c15cnc8nc1.c16nnsc17.c18ccncc1.CC6C.C35=O.C47.N34 |
1935132 | Cc1cccnc1CNC(=O)c1nc(-c2ccccc2)[nH]c1C | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C] | Cc1cccnc16.c15nc7[nH]c1C.c17ccccc1.C35=O.C46.N34 |
1935133 | COCC(c1ccccn1)N(C)C(=O)c1cn2ccccc2n1 | [C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2] | c16cn2ccccc2n1.c17ccccn1.C4C57.N35C.C36=O.CO4 |
1935134 | CCCCN(Cc1ccccn1)C(=O)c1cccc2nccnc12 | [C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2nccnc12.c17ccccn1.CCCC4.N345.C36=O.C57 |
1935135 | COCCc1noc(C2CCCCN2Cc2coc(C(C)C)n2)n1 | [C][O][C][C][C][=N][O][C][Branch2][Ring1][Branch2][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][Ring2] | C18CCCCN14.c15noc8n1.c16coc7n1.C3C5.C7(C)C.CO3.C46 |
1935136 | Cc1nc2ncccn2c1C(=O)NC1(c2ccc(Cl)cc2)CC1 | [C][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2] | Cc1nc2ncccn2c15.c16ccc(Cl)cc1.C146CC1.C35=O.N34 |
1935137 | Cc1nc(-c2ncoc2C2CC2)n(Cc2ccccc2)n1 | [C][C][N][=C][Branch1][=N][C][N][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | Cc1nc5n3n1.c15ncoc16.c14ccccc1.C16CC1.C34 |
1935138 | CC(C)c1ncc(C(=O)NCC(C)(C)N2CCOCC2)cn1 | [C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | c17ncc6cn1.N15CCOCC1.C4C5(C)C.CC7C.C36=O.N34 |
1935140 | Cc1cnc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=N][Ring2][Ring1][Branch1] | Cc1cnc8cn1.C17CCN4CC1.C37=O.C45=O.N5(C)C.C68.N36 |
1935141 | Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC(O)C2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Branch1][C][O][C][Ring1][S][=N][O][Ring2][Ring1][#Branch1] | N14CCN5CC(O)C1.c15ncccc1C#N.Cc1cc6no1.C46=O |
1935142 | O=C(c1cccnc1-c1ccncc1)N1CCCCC1 | [O][=C][Branch1][P][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c13cccnc14.c14ccncc1.N12CCCCC1.O=C23 |
1935143 | O=C(CCc1ccncc1)NCCS(=O)(=O)N1CCCC1 | [O][=C][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c15ccncc1.C3CS4(=O)=O.O=C2CC5.N14CCCC1.N23 |
1935144 | CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc2nccnc12 | [C][C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2nccnc12.c17c(F)cccc1Cl.N345.C36=O.CC4.C57 |
1935145 | CCN(CC(O)c1cccc(O)c1)C(=O)Cn1ccccc1=O | [C][C][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] | c16cccc(O)c1.n15ccccc1=O.C4C6O.C2(=O)C5.N234.CC3 |
1935146 | NS(=O)(=O)N1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Cl][C][C][Ring1][S] | NS(=O)(=O)N1CCN3CC1.c14c(Cl)ccc(O)c1Cl.C34 |
1935147 | Cc1ccc2nc(CCCNC(=O)Cn3ccccc3=O)oc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2nc7oc2c1.n16ccccc1=O.C7CC5.C4(=O)C6.N45 |
1935148 | Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCCC1CO | [C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O] | Cc1ccc4cc1S2(=O)=O.N12CCCC13.C4(C)(C)C.C3O |
1935150 | Cc1nc2cc(CC(=O)N(C)Cc3ccsc3)ccc2[nH]1 | [C][C][=N][C][=C][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1][=C][C][=C][Ring1][P][NH1][Ring2][Ring1][Ring2] | Cc1nc2cc6ccc2[nH]1.c17ccsc1.C6C4=O.N45C.C57 |
1935151 | Cc1cccc(Cn2nc(C3CCOC3)nc2-c2cn[nH]c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][=C][Ring1][#Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc5c1.n14nc6nc17.C16CCOC1.c17cn[nH]c1.C45 |
1935152 | COCCC1CN(Cc2ccc3cccc(Cl)c3n2)CCO1 | [C][O][C][C][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring1][O][C][C][O][Ring2][Ring1][C] | c17ccc2cccc(Cl)c2n1.C16CN5CCO1.C4C6.CO4.C57 |
1935153 | Cc1c(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cnc2ccnn12 | [C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=N][N][Ring2][Ring1][=Branch2][Ring1][Branch1] | Cc1c7cnc2ccnn12.c18ccc2[nH]ccc2c1.C47=O.N456.C16CC1.C58 |
1935154 | c1ccc(-c2nnn(CCCc3cn[nH]c3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][N][=N][N][Branch1][O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c1ccc6cc1.c16nnn4n1.c15cn[nH]c1.C4CC5 |
1935155 | CCOC(=O)C1(O)CCN(C(=O)c2cc(C)nn2CC)CC1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][C][Ring1][P] | C17(O)CCN4CC1.c16cc(C)nn18.C37=O.C46=O.CC5.O35.C8C |
1935156 | CCOC(=O)C1(O)CCN(C(=O)C2CC2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][Ring1][=N] | C16(O)CCN4CC1.C17CC1C.C36=O.C47=O.CC5.O35 |
1935157 | CCOC(=O)C1(O)CCN(C(=O)C2(C)CC2(Cl)Cl)CC1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][C][Ring1][#C] | C16(O)CCN4CC1.C17(C)CC1(Cl)Cl.C36=O.C47=O.CC5.O35 |
1935159 | CC(CNC(=O)Cc1cccc(F)c1)CC1(C)OCCO1 | [C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1] | c15cccc(F)c1.C14(C)OCCO1.CC(C3)C4.C2(=O)C5.N23 |
1935160 | CC(CNC(=O)Cc1ccc(F)cc1)CC1(C)OCCO1 | [C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1] | c15ccc(F)cc1.C14(C)OCCO1.CC(C3)C4.C2(=O)C5.N23 |
1935161 | CC(CNC(=O)c1ccc2ccccc2n1)CC1(C)OCCO1 | [C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1] | c15ccc2ccccc2n1.C16(C)OCCO1.CC(C4)C6.C35=O.N34 |
1935162 | CCC1CN(c2ncnc3c2Cc2ccccc2OC3)CCO1 | [C][C][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][C][O][Ring2][Ring1][Branch1] | c14ncnc2c1Cc1ccccc1OC2.C15CN4CCO1.CC5 |
1935163 | Cc1cccnc1C(NC(=O)c1cn2ccccc2n1)C1CC1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][C][C][Ring1][Ring1] | c15cn2ccccc2n1.Cc1cccnc16.C467.C35=O.C17CC1.N34 |
1935164 | CCc1cc(C(=O)N2CCCCC2CCO)cc(=O)[nH]1 | [C][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][O][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | c16cc4cc(=O)[nH]1.N13CCCCC15.C34=O.C5CO.CC6 |
1935166 | O=C1CC(C(=O)NCc2ccc3c(c2)CCCC3)C2(CCCC2)O1 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][#Branch1] | O=C1CC6C2(CCCC2)O1.c17ccc2c(c1)CCCC2.C46=O.N45.C57 |
1935167 | COc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][=C][Ring2][Ring1][Branch1] | c17cccc8c1.C19CCN5C1.C6(C)(C)C.C49=O.C35=O.CO7.N48.O36 |
1935168 | COc1ccccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N] | c16ccccc17.C18CCN4C1.C5(C)(C)C.C38=O.C24=O.CO6.N37.O25 |
1935169 | CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C] | c17ccc(F)cc1.N14CCC8C1.CC6(C)C.C34=O.C58=O.O36.N57 |
1935170 | Cc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.C18CCN5C1.C6(C)(C)C.C48=O.C35=O.N47.O36 |
1935171 | COc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.C19CCN5C1.C6(C)(C)C.C49=O.C35=O.CO7.N48.O36 |
1935172 | CSc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)C2)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][=C][Ring2][Ring1][Branch1] | c19cccc7c1.C18CCN5C1.C6(C)(C)C.C48=O.C35=O.CS9.N47.O36 |
1935173 | CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][S] | c17ccc(F)c(Cl)c1.N14CCC8C1.CC6(C)C.C34=O.C58=O.O36.N57 |
1935174 | COc1ccc(C)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)C1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N] | c16ccc(C)cc17.C18CCN4C1.C5(C)(C)C.C38=O.C24=O.CO6.N37.O25 |
1935176 | CCN(C)c1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)C2)c1 | [C][C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][=C][Ring2][Ring1][Branch1] | c18cccc9c1.C1%10CCN5C1.C6(C)(C)C.N78C.C4%10=O.C35=O.CC7.N49.O36 |
1935179 | C#CCOc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)C2)cc1 | [C][#C][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c18ccc9cc1.C1%10CCN5C1.C7(C)(C)C.C#CC6.C4%10=O.C35=O.O68.N49.O37 |
1935180 | O=C(NCCCOCC1CCOCC1)c1cccc(F)c1 | [O][=C][Branch1][#C][N][C][C][C][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.C17CCOCC1.C5CC3.O=C26.N25.O34.C47 |
1935181 | CC1(C(=O)NCCCOCC2CCOCC2)CC1(Cl)Cl | [C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][P][Branch1][C][Cl][Cl] | CC17CC1(Cl)Cl.C18CCOCC1.C6CC4.C37=O.N36.O45.C58 |
1935182 | O=C(NCCCOCC1CCOCC1)c1cccc(Cl)c1 | [O][=C][Branch1][#C][N][C][C][C][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c16cccc(Cl)c1.C17CCOCC1.C5CC3.O=C26.N25.O34.C47 |
1935183 | Cc1ccc(C(=O)NCCCOCC2CCOCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.C18CCOCC1.C6CC4.C37=O.N36.O45.C58 |
1935184 | O=C(NCCCOCC1CCOCC1)C1CCC1 | [O][=C][Branch1][#C][N][C][C][C][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][Ring2] | C17CCOCC1.C5CC3.C16CCC1.O=C26.N25.O34.C47 |
1935185 | O=C(NCCCOCC1CCOCC1)c1cccc(Cl)c1Cl | [O][=C][Branch1][#C][N][C][C][C][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c16cccc(Cl)c1Cl.C17CCOCC1.C5CC3.O=C26.N25.O34.C47 |
1935186 | CC1CC1C(=O)NCCCOCC1CCOCC1 | [C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][O][C][C][Ring1][=Branch1] | C17CCOCC1.CC1CC16.C5CC3.C26=O.N25.O34.C47 |
1935187 | O=C(NCCCOCC1CCOC1)c1cc2ccccc2s1 | [O][=C][Branch1][=C][N][C][C][C][O][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17cc2ccccc2s1.C18CCOC1.C6CC4.O=C37.N36.O45.C58 |
1935188 | O=C(NCCCOCC1CCOC1)c1ccsc1 | [O][=C][Branch1][=C][N][C][C][C][O][C][C][C][C][O][C][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1] | C17CCOC1.c16ccsc1.C5CC3.O=C26.N25.O34.C47 |
1935189 | Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC1C(N)=O | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][N][=O] | Cc1cc(C#N)ccc1S2(=O)=O.N12CCCC13.C3(N)=O |
1935190 | CCC(CCO)NC(=O)Nc1ccc(OC(F)F)c2ncccc12 | [C][C][C][Branch1][Ring2][C][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] | c17ccc5c2ncccc12.CCC6CCO.O5C(F)F.C34=O.N36.N47 |
1935191 | CC(CO)C(C)NC(=O)Nc1ccc(OC(F)F)c2ncccc12 | [C][C][Branch1][Ring1][C][O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] | c17ccc5c2ncccc12.CC(CO)C6C.O5C(F)F.C34=O.N36.N47 |
1935192 | CCCN(CC1CC1)S(=O)(=O)Cc1ccon1 | [C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][O][N][=Ring1][Branch1] | S4(=O)(=O)C5.c15ccon1.CCC2.N234.C16CC1.C36 |
1935193 | N#CCCN(CC1CC1)S(=O)(=O)Cc1ccon1 | [N][#C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][O][N][=Ring1][Branch1] | S4(=O)(=O)C5.c15ccon1.N#CCC2.N234.C16CC1.C36 |
1935194 | CN(c1ccc(Cl)cn1)S(=O)(=O)Cc1ccon1 | [C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][O][N][=Ring1][Branch1] | c13ccc(Cl)cn1.S2(=O)(=O)C4.c14ccon1.CN23 |
1935195 | Cn1cc(NC(=O)C2CN(Cc3ccccc3)CCO2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][C][=N][Ring2][Ring1][Branch1] | C17CN5CCO1.Cn1cc6cn1.c18ccccc1.C47=O.N46.C58 |
1935196 | CC(=O)NC1CCN(C(=O)C2CN(Cc3ccccc3)CCO2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][C][C][Ring2][Ring1][Branch1] | C17CCN5CC1.C18CN6CCO1.c19ccccc1.CC4=O.C58=O.N47.C69 |
1935197 | CC(C)n1cc(NC(=O)C2CN(Cc3ccccc3)CCO2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][C][=N][Ring2][Ring1][Branch1] | C17CN5CCO1.n18cc6cn1.c19ccccc1.CC8C.C47=O.N46.C59 |
1935198 | CC#CCSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 | [C][C][#C][C][S][C][=N][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][N][O][Ring1][#C] | c15nc2cc(S4(=O)=O)ccc2o1.CC#CC3.N4(C)C.S35 |
1935199 | CC#CCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O | [C][C][#C][C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][Branch1][C][N][=O] | c14ccc(S5(=O)=O)cc16.N15CCCC1.CC#CC3.C6(N)=O.O34 |
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