ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922981 | Clc1cc2c(c(CSc3cn[nH]n3)c1)OCOC2 | [Cl][C][=C][C][=C][Branch1][S][C][Branch1][#Branch2][C][S][C][C][=N][NH1][N][=Ring1][Branch1][=C][Ring1][=N][O][C][O][C][Ring1][#C] | Clc1cc5c2c(c1)COCO2.c16cn[nH]n1.C45.S46 |
1922982 | c1ccc(-c2noc(CSc3cn[nH]n3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][O][C][Branch1][#Branch2][C][S][C][C][=N][NH1][N][=Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c1ccc7cc1.c17noc5n1.c16cn[nH]n1.C45.S46 |
1922983 | COC(=O)c1cc(CSc2cn[nH]n2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][C][S][C][C][=N][NH1][N][=Ring1][Branch1][O][C][=Ring1][N][C] | c15cc6oc1C.c17cn[nH]n1.C35=O.CO3.C46.S47 |
1922984 | CC(C)n1ccc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)n1 | [C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][#Branch2][C][N][N][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][=N][Ring2][Ring1][=Branch1] | n15nnc2c(cnn27)c1=O.n14ccc6n1.c17ccccc1.CC4C.C56 |
1922985 | Cn1cc(C(=O)N(c2cccc(F)c2)C2CCCC2)ccc1=O | [C][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][C][Ring2][Ring1][Branch1][=O] | Cn1cc6ccc1=O.c14cccc(F)c1.C15CCCC1.C36=O.N345 |
1922987 | Cn1ncc(NC2C=CCCC2)c(Br)c1=O | [C][N][N][=C][C][Branch1][#Branch2][N][C][C][=C][C][C][C][Ring1][=Branch1][=C][Branch1][C][Br][C][Ring1][=C][=O] | Cn1ncc3c(Br)c1=O.C14C=CCCC1.N34 |
1922988 | COC(=O)c1cccc(CNc2ncc(Cl)cn2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring1][#C] | c16cccc7c1.c15ncc(Cl)cn1.C36=O.CO3.C47.N45 |
1922989 | COC(=O)c1cccc(CNc2nccc(C)n2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring1][#C] | c16cccc7c1.c15nccc(C)n1.C36=O.CO3.C47.N45 |
1922990 | COC(=O)c1ccc(CN2CCC(C(F)(F)F)CC2)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][S][Ring1][S] | N14CCC7CC1.c15ccc6s1.C7(F)(F)F.C35=O.CO3.C46 |
1922991 | NC(=O)C1CCCCCC1NC(=O)C1CCCOC1 | [N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][C][Ring1][=Branch1] | C14CCCCCC13.C15CCCOC1.NC4=O.C25=O.N23 |
1922992 | O=C(CNC(=O)C1(Cc2ccccc2)CCC1)NCc1ccncc1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c19ccccc1.c1%10ccncc1.C178CCC1.O=C3C5.C47=O.N45.C89.N36.C6%10 |
1922993 | CN(Cc1cc(Cl)cn1C)C(=O)Nc1cccc2c1OCCO2 | [C][N][Branch1][=N][C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1] | c16cccc2c1OCCO2.c17cc(Cl)cn1C.CN35.C34=O.C57.N46 |
1922994 | O=C(c1ccc2nnnn2c1)N(c1cccc2cccnc12)C1CCC1 | [O][=C][Branch1][=C][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][Ring2] | c14cccc2cccnc12.c16ccc2nnnn2c1.C15CCC1.O=C36.N345 |
1922996 | O=C(Nc1cnc(C2CC2)nc1)N1CCN(c2cccs2)CC1 | [O][=C][Branch1][P][N][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][N][C][C][N][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | c16cnc7nc1.N14CCN5CC1.c15cccs1.O=C34.C17CC1.N36 |
1922997 | CC(C)(C)NC(=O)Nc1nnc(Cc2ccsc2)s1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][S][Ring1][O] | c16nnc7s1.c18ccsc1.CC5(C)C.C34=O.N35.N46.C78 |
1922998 | CCc1cc(NC(=O)N(C)Cc2cc(Cl)cn2C)n(C)n1 | [C][C][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][=Branch1][C][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c17cc6n(C)n1.c18cc(Cl)cn1C.C34=O.N45C.CC7.N36.C58 |
1923000 | CC(C)n1ccc(CC(=O)Nc2cc(Cl)ccc2NC2CC2)n1 | [C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Ring2] | c14cc(Cl)ccc15.n17ccc8n1.C8C3=O.CC7C.C16CC1.N34.N56 |
1923001 | CCc1nnc(Sc2nnnn2-c2ccccc2)c(C#N)c1CC | [C][C][C][=N][N][=C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring2][C][C] | c13nnc6c(C#N)c14.c17nnnn15.c15ccccc1.CC3.S67.C4C |
1923002 | Cn1cc(C(O)CNC(=O)C2(Cc3ccccc3)CCC2)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O][C][=N][Ring2][Ring1][=Branch1] | Cn1cc8cn1.c19ccccc1.C167CCC1.C8(O)C5.C46=O.N45.C79 |
1923003 | Cc1cc(C(=O)NC2CCCCCC2C(N)=O)c(C)n1CC1CC1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C][C][C][C][Ring1][Ring1] | Cc1cc6c(C)n17.C14CCCCCC15.C36=O.C5(N)=O.C18CC1.N34.C78 |
1923004 | Cc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1C(N)=O | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] | Cc1cccc5c16.c18ccc(Cl)cc1.c17cn8nn1.C6(N)=O.N45.C47 |
1923005 | Cc1cc(C)c(C)c(OCCCNc2ccc3n[nH]c(=O)n3n2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][O][C][C][C][N][C][C][=C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][N][=Ring1][#Branch2][=C][Ring2][Ring1][#Branch1] | c17ccc2n[nH]c(=O)n2n1.Cc1cc5c(C)c(C)c1.C4CC6.O45.N67 |
1923006 | CCc1nnc(Sc2nc(-c3ccncc3)n[nH]2)c(C#N)c1CC | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring2][C][C] | c14nnc6c(C#N)c15.c17nc8n[nH]1.c18ccncc1.CC4.S67.C5C |
1923007 | Cc1cc(Br)cnc1N(C)Cc1cscn1 | [C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][=C][S][C][=N][Ring1][Branch1] | Cc1cc(Br)cnc13.c14cscn1.N23C.C24 |
1923008 | COCc1noc(C2CCc3nc(C)nc(C(F)(F)F)c3C2)n1 | [C][O][C][C][=N][O][C][Branch2][Ring1][N][C][C][C][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | C17CCc2nc(C)nc6c2C1.c15noc7n1.C6(F)(F)F.CO4.C45 |
1923009 | Cc1cc(Br)cnc1N(C)CCN1CCCC1=O | [C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][N][C][C][C][C][Ring1][Branch1][=O] | Cc1cc(Br)cnc13.N14CCCC1=O.N23C.C2C4 |
1923010 | CCc1nnc(N2CCC(Cc3cnn(C)c3)C2)c(C#N)c1CC | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][N][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring2][C][C] | c15nnc4c(C#N)c18.N14CCC6C1.c17cnn(C)c1.CC5.C67.C8C |
1923011 | Cc1cc(Br)cnc1N1CCN(C2CC2)C(=O)C1 | [C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][#Branch2] | Cc1cc(Br)cnc13.N13CCN4C(=O)C1.C14CC1 |
1923013 | COCCc1noc(CN(C)c2ncccc2C#N)n1 | [C][O][C][C][C][=N][O][C][Branch1][S][C][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][Ring1][S] | c15ncccc1C#N.c16noc7n1.C3C6.N45C.CO3.C47 |
1923014 | COCCc1noc(CN(C)c2nccc(C)n2)n1 | [C][O][C][C][C][=N][O][C][Branch1][P][C][N][Branch1][C][C][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring1][#C] | c15nccc(C)n1.c16noc7n1.C3C6.N45C.CO3.C47 |
1923015 | Cc1ccc(C(NC(=O)COc2c(C)nn(C)c2C)C(C)(C)C)o1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][#Branch1] | c15c(C)nn(C)c1C.Cc1ccc7o1.C67C(C)(C)C.C3(=O)C4.N36.O45 |
1923016 | COCCCSc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1 | [C][O][C][C][C][S][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C][=C][Ring1][P] | N15CCC2(CCC2)C1.c19ccc8cc1.C6CC7.C45=O.CO6.S79.N48 |
1923017 | CCCC1(CNC(=O)c2cn(CC(=O)N3CCCC3)nn2)CCC1 | [C][C][C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=N][Ring1][=N][C][C][C][Ring2][Ring1][Branch1] | c17cn8nn1.C19%10CCC1.N15CCCC1.C8C5=O.CCC9.C47=O.C6%10.N46 |
1923018 | CC(C)COc1ccc(C(C)NC(=O)C(C)c2cnn(C)c2)cc1 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c18cnn(C)c1.C3(=O)C8C.CC(C)C4.C67C.O45.N36 |
1923019 | O=C(NC(C1CC1)C1CC1)N1CCCC1CC(O)c1ccco1 | [O][=C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | N13CCCC15.c16ccco1.C5C6O.O=C23.C478.C17CC1.C18CC1.N24 |
1923021 | Cc1[nH]ccc1C(=O)N1CC(=O)NC2CCCCC21 | [C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][Ring1][O] | N13CC(=O)NC2CCCCC21.Cc1[nH]ccc14.C34=O |
1923022 | Cc1nn(C)cc1C(C)NC(=O)N(Cc1ccccc1F)C1CCC1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][Ring1][Ring2] | Cc1nn(C)cc17.c18ccccc1F.C16CCC1.C47C.C23=O.N356.N24.C58 |
1923023 | CC(NC(=O)N(Cc1ccccc1F)C1CCC1)c1cnn(C)c1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][Ring1][Ring2][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c18ccccc1F.c17cnn(C)c1.C16CCC1.CC47.C23=O.N356.N24.C58 |
1923024 | Cc1cnc(CCNC(=O)NC(C)CC(O)c2ccccc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] | Cc1cnc7s1.C6(C)CC8O.c18ccccc1.C7C5.C34=O.N35.N46 |
1923025 | CN(Cc1cc(Br)cn1C)C(=O)c1n[nH]c2ccccc12 | [C][N][Branch1][=N][C][C][=C][C][Branch1][C][Br][=C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15n[nH]c2ccccc12.c16cc(Br)cn1C.CN34.C35=O.C46 |
1923026 | Cc1ccc(CNC(=O)N(C)C2CCC2)c(OC2CCOC2)c1 | [C][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring2][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cc1ccc9c6c1.C15CCOC1.C18CCC1.C34=O.N48C.C79.N37.O56 |
1923027 | Cn1ccnc(NCCNc2nnnn2-c2ccccc2)c1=O | [C][N][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1ccnc5c1=O.c16nnnn17.c17ccccc1.C3C4.N35.N46 |
1923028 | CC(CC(O)c1ccco1)NC(=O)Nc1nc2ccccc2s1 | [C][C][Branch1][=N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2ccccc2s1.CC5CC7O.c17ccco1.C34=O.N35.N46 |
1923029 | Cc1nnnn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 | [C][C][=N][N][=N][N][Ring1][Branch1][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c15ccc4cc1.Cc1nnnn12.c13nnnn15.C4(F)(F)F.C23 |
1923030 | Cc1nc(C(=O)NCC(CC(C)O)c2ccccc2)c2ccccn12 | [C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring2][Ring1][Branch2][Ring1][=Branch1] | Cc1nc5c2ccccn12.C4C6CC(C)O.c16ccccc1.C35=O.N34 |
1923031 | CCc1nc(COC(=O)c2cn(Cc3cccc(F)c3)nn2)cs1 | [C][C][C][=N][C][Branch2][Ring1][N][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][=N][=C][S][Ring2][Ring1][=Branch1] | c1%10cccc(F)c1.c18nc9cs1.c16cn7nn1.C46=O.CC8.C59.O45.C7%10 |
1923033 | CCOc1cc(F)ccc1NC(=O)NC(C)CC(O)c1ccco1 | [C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | c15cc(F)ccc17.C6(C)CC8O.c18ccco1.C23=O.CC4.O45.N27.N36 |
1923034 | CCSc1ccccc1NC(=O)NC(C)CC(O)c1ccco1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | c18ccccc16.C4(C)CC7O.c17ccco1.C23=O.CC5.S58.N26.N34 |
1923035 | Cc1cc(OC(C)C)ccc1NC(=O)NC(C)CC(O)c1ccco1 | [C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc5ccc17.C6(C)CC8O.c18ccco1.C4(C)C.C23=O.O45.N27.N36 |
1923036 | O=C(Nc1cc(Cl)ccc1N1CCCC1)NC1CC2CCC1O2 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1] | c15cc(Cl)ccc16.C17CC2CCC1O2.N16CCCC1.O=C34.N35.N47 |
1923037 | CC(OC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccccn1 | [C][C][Branch2][Ring1][O][O][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c18cccc(F)c1.c15cn6nn1.c17ccccn1.CC47.C35=O.O34.C68 |
1923038 | Cc1csc(C(C)NC(=O)N(Cc2ccccc2)CC(F)F)n1 | [C][C][=C][S][C][Branch2][Ring1][N][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][F][F][=N][Ring2][Ring1][=Branch1] | Cc1csc8n1.c19ccccc1.C7C(F)F.C58C.C34=O.N467.N35.C69 |
1923039 | Cc1nccn1-c1ccc(F)cc1CNC(=O)NC1CC2CCC1O2 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1] | c18ccc(F)cc17.C16CC2CCC1O2.Cc1nccn18.C34=O.C57.N35.N46 |
1923040 | O=C(NCC1(Sc2ccccc2)CC1)NC1CC2CCC1O2 | [O][=C][Branch2][Ring1][Ring1][N][C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1] | C17CC2CCC1O2.c19ccccc1.C168CC1.O=C34.N35.C58.S69.N47 |
1923042 | CC(CC(O)c1ccco1)NC(=O)NC(c1ccccn1)C(C)C | [C][C][Branch1][=N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C] | CC4CC6O.c17ccccn1.c16ccco1.C57C(C)C.C23=O.N24.N35 |
1923043 | CC(C)COC1CCN(C(=O)NCc2nc(-c3ccco3)n[nH]2)C1 | [C][C][Branch1][C][C][C][O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][Ring2][Ring1][Ring1] | C17CCN4C1.c19nc%10n[nH]1.c1%10ccco1.CC(C)C6.C45=O.O67.N58.C89 |
1923044 | CCOC1CC(NC(=O)NC(C)CC(O)c2ccco2)C12CCC2 | [C][C][O][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][C][C][C][C][Ring1][Ring2] | C16CC8C12CCC2.C7(C)CC9O.c19ccco1.C34=O.CC5.O56.N38.N47 |
1923045 | Cc1nc(CNC(=O)N(Cc2ccccc2)CC(F)F)sc1C | [C][C][N][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][F][F][S][C][=Ring2][Ring1][Branch1][C] | Cc1nc8sc1C.c19ccccc1.C7C(F)F.C34=O.N467.C58.N35.C69 |
1923046 | Cc1cnc(C(C)NC(=O)N(Cc2ccccc2)CC(F)F)s1 | [C][C][=C][N][=C][Branch2][Ring1][N][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][F][F][S][Ring2][Ring1][=Branch1] | Cc1cnc8s1.c19ccccc1.C7C(F)F.C58C.C34=O.N467.N35.C69 |
1923047 | CC(CO)NC(=O)NC(C)c1ccc(OCC2CC2)c(F)c1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Branch1][C][F][=C][Ring1][N] | c1%10ccc6c(F)c1.CC7CO.C34=O.C8%10C.C19CC1.N37.N48.O56.C59 |
1923048 | O=C(CSc1ccncc1)Nc1ccc(F)cc1NC1CC1 | [O][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][Ring1][Ring1] | c14ccc(F)cc15.c17ccncc1.O=C2C3.C16CC1.S37.N24.N56 |
1923049 | Cc1cc(C)c(C(=O)NC(C)CC(=O)c2ccco2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1] | Cc1cc(C)c6c(=O)[nH]1.C4(C)CC5=O.c15ccco1.C36=O.N34 |
1923050 | Cc1cc(C)n2nc(C(=O)NC(C)CC(=O)c3ccco3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring2][Ring1][C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n2nc6nc2n1.C5(C)CC7=O.c17ccco1.C46=O.N45 |
1923051 | CC(=O)c1ccc(NC(=O)NCC2CCC(C(N)=O)O2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc1.C19CCC7O1.CC8=O.C34=O.C7(N)=O.N36.N45.C59 |
1923052 | CC1CN(c2nnnn2-c2ccccc2)CC(c2ccsc2)O1 | [C][C][C][N][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][O][Ring2][Ring1][=Branch1] | CC1CN3CC5O1.c13nnnn14.c14ccccc1.c15ccsc1 |
1923053 | CC1CN(c2ccc3nnnn3n2)CC(c2ccsc2)O1 | [C][C][C][N][Branch1][=C][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][N][=Ring1][=Branch2][C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][O][Ring2][Ring1][Ring2] | c14ccc2nnnn2n1.CC1CN4CC5O1.c15ccsc1 |
1923054 | CCCOc1cc(F)ccc1NC(=O)Nc1c(C)n[nH]c1C | [C][C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c15cc(F)ccc16.c17c(C)n[nH]c1C.CCC4.C23=O.O45.N26.N37 |
1923055 | CNC(=O)Cc1noc(-c2cc3c(s2)CCC(C)(C)C3)n1 | [C][N][C][=Branch1][C][=O][C][C][=N][O][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=N][Ring1][S] | c16cc2c(s1)CCC(C)(C)C2.c15noc6n1.C4(=O)C5.CN4 |
1923056 | CNC(=O)Cc1noc(CC2CCC(C)(C)c3ccccc32)n1 | [C][N][C][=Branch1][C][=O][C][C][=N][O][C][Branch2][Ring1][=Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=N][Ring2][Ring1][C] | C6C1CCC(C)(C)c2ccccc21.c15noc6n1.C4(=O)C5.CN4 |
1923057 | COc1cc(NC2CCCN(c3cc(C)ncn3)C2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][C][C][N][Branch1][N][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c14cc5cc7c1.C18CCCN6C1.c16cc(C)ncn1.CO4.N78.O5C |
1923058 | COc1cc(NC2CCCN(c3ncccn3)C2)cc(OC)c1 | [C][O][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][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14cc5cc7c1.C18CCCN6C1.c16ncccn1.CO4.N78.O5C |
1923059 | CN(CCC#N)Cc1cc(Br)cc2cccnc12 | [C][N][Branch1][Branch1][C][C][C][#N][C][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(Br)cc2cccnc12.C3CC#N.CN34.C45 |
1923060 | COCc1nn(CCCN2CCOC2=O)c(=O)o1 | [C][O][C][C][=N][N][Branch1][N][C][C][C][N][C][C][O][C][Ring1][Branch1][=O][C][=Branch1][C][=O][O][Ring1][#C] | c16nn4c(=O)o1.N15CCOC1=O.C4CC5.CO3.C36 |
1923061 | COC(=O)C(NCc1cc(=O)n2nccc2[nH]1)C(C)(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=Branch1][C][=O][N][N][=C][C][=C][Ring1][Branch1][NH1][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C] | c16cc(=O)n2nccc2[nH]1.C3(=O)C4C(C)(C)C.CO3.N45.C56 |
1923063 | COC(=O)C1CN(Cc2ccc3ccccc3n2)CC(C)O1 | [C][O][C][=Branch1][C][=O][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][C] | c17ccc2ccccc2n1.C16CN5CC(C)O1.C46=O.CO4.C57 |
1923064 | COc1cc(F)cc(NCC(=O)NCc2ccco2)c1 | [C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c14cc7cc(F)c1.c18ccco1.C5C3=O.CO4.N57.N36.C68 |
1923065 | Cc1cc(C(=O)N2CC(=O)Nc3cnccc32)c(Cl)cc1F | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][F] | N14CC(=O)Nc2cnccc21.Cc1cc5c(Cl)cc1F.C45=O |
1923066 | CCCC(=O)N1CCC(OC(=O)c2cc(C)c(F)cc2Cl)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][C][Ring2][Ring1][C] | c16cc(C)c(F)cc1Cl.N14CCC5CC1.CCCC4=O.C36=O.O35 |
1923067 | NC(=O)C1CCC(CNC(=O)CCc2ccc(F)cc2)O1 | [N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring2][Ring1][C] | c17ccc(F)cc1.C15CCC6O1.C3(=O)CC7.NC5=O.C46.N34 |
1923068 | NC(=O)C1CCC(CNC(=O)CCc2ccc(Cl)cc2)O1 | [N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring2][Ring1][C] | c17ccc(Cl)cc1.C15CCC6O1.C3(=O)CC7.NC5=O.C46.N34 |
1923070 | CCOc1ccc(NC(=O)NC2CC=CC2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][Branch1][C][=C][Ring1][#C][O][C][C] | c17ccc9cc18.C1%10CC=CC1.C34=O.CC5.O57.N39.N4%10.O68.C6C |
1923071 | COCCN(Cc1ccc(C)o1)C(=O)c1cc[nH]n1 | [C][O][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1] | c17ccc(C)o1.c16cc[nH]n1.C3C4.N245.C26=O.CO3.C57 |
1923073 | COCCCSc1ccc(NC(=O)NC2CC=CC2)cc1 | [C][O][C][C][C][S][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][Branch1][C][=C][Ring1][#C] | c19ccc7cc1.C18CC=CC1.C5CC6.C34=O.CO5.S69.N37.N48 |
1923074 | COc1cc(F)cc(NC(=O)Nc2cnn(CC(F)(F)F)c2)c1 | [C][O][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c15cc6cc(F)c1.c17cnn8c1.C8C(F)(F)F.C34=O.CO5.N36.N47 |
1923075 | Cn1cccc(NC(=O)NCC2CC23CCCc2ccccc23)c1=O | [C][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring2][Ring1][#Branch1][=O] | C18CC12CCCc1ccccc12.Cn1cccc7c1=O.C45=O.N47.N56.C68 |
1923076 | Cc1cc(=O)n(C)cc1NC(=O)N1CCCC1C1CCC1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][Ring2] | Cc1cc(=O)n(C)cc14.N13CCCC15.C15CCC1.C23=O.N24 |
1923077 | COCCN(Cc1ccc(C)o1)C(=O)Nc1cccc2c1CCN2C | [C][O][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C] | c18cccc2c1CCN2C.c19ccc(C)o1.C5C6.N367.C34=O.CO5.C79.N48 |
1923078 | C=C(C)CN(CC)C(=O)Nc1ccccc1OC1CCOC1 | [C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][C][Ring1][Branch1] | c18ccccc15.C14CCOC1.C=C(C)C6.N267.C23=O.C7C.N38.O45 |
1923079 | COC(=O)C1(C)CCN(C(=O)c2cccc3[nH]ccc23)C1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring1][P] | c17cccc2[nH]ccc12.C16(C)CCN5C1.C46=O.C57=O.CO4 |
1923080 | O=C(Cc1ccc(O)cc1)NCCNc1ncnc2ccccc12 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16ncnc2ccccc12.c17ccc(O)cc1.O=C3C7.C4C5.N34.N56 |
1923081 | COc1ccc(C)cc1C(C)NC(=O)N(C)c1c(C)noc1C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | c14ccc(C)cc17.c16c(C)noc1C.C57C.C23=O.N36C.CO4.N25 |
1923082 | CCC(=O)Nc1ccc(C(C)NC(=O)N(C)c2c(C)noc2C)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring2] | c17ccc9cc1.c18c(C)noc1C.CCC3=O.C69C.C45=O.N58C.N37.N46 |
1923083 | O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)NC1CC=CC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][C][C][C][=C][C][Ring1][Branch1] | N15CCC8CC1.c19ccccc1.C17CC=CC1.C6C5=O.O=C34.N36.C89.N47 |
1923085 | O=C1NC(c2cnc(C3CCC3)s2)Nc2ncccc21 | [O][=C][N][C][Branch1][S][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=C1NC4Nc2ncccc21.c14cnc5s1.C15CCC1 |
1923086 | O=C1CN(Cc2ccccc2)C(c2cccc(-n3cccn3)c2)N1 | [O][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O][N][Ring2][Ring1][#Branch1] | O=C1CN4C7N1.c17cccc6c1.c15ccccc1.n16cccn1.C45 |
1923087 | COc1cc(CN(C)C(=O)c2[nH]c(C)cc2C)ccc1OC(F)F | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][C][O][C][Branch1][C][F][F] | c14cc8ccc15.c17[nH]c(C)cc1C.O5C(F)F.N36C.C37=O.CO4.C68 |
1923088 | CCCN(c1cccnc1)S(=O)(=O)c1sccc1OC | [C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][O][C] | S4(=O)(=O)c1sccc12.c15cccnc1.CCC3.N345.O2C |
1923089 | CCC(C)NC(=O)c1ccc(CNC(=O)c2[nH]c(C)cc2C)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][C][=C][Ring1][P] | c18ccc9cc1.c17[nH]c(C)cc1C.CCC5C.C38=O.C47=O.N35.C69.N46 |
1923090 | CCNC(=O)COc1cccc(C(C)NC(=O)c2[nH]c(C)cc2C)c1 | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16cccc%10c1.c19[nH]c(C)cc1C.C3(=O)C5.C8%10C.C49=O.CC7.N37.O56.N48 |
1923091 | N#Cc1ncn(Cc2cnc(-c3ccc(Cl)cc3)nc2)n1 | [N][#C][C][N][=C][N][Branch2][Ring1][#Branch1][C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][N][=Ring2][Ring1][Ring1] | N#Cc1ncn4n1.c15cnc6nc1.c16ccc(Cl)cc1.C45 |
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