EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1cc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Br)cn2)cc1OC
SELFIES: [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C]
InChI: InChI=1S/C22H17BrN4O4/c1-30-18-9-16(22(29)27-20-8-7-15(23)12-25-20)17(10-19(18)31-2)26-21(28)14-5-3-13(11-24)4-6-14/h3-10,12H,1-2H3,(H,26,28)(H,25,27,29)
SMILES: COc1cc(NC(=O)c2ccc(C(=N)N)cc2)c(C(=O)Nc2ccc(Br)cn2)cc1OC
SELFIES: [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][N][O][C]
InChI: InChI=1S/C22H20BrN5O4/c1-31-17-9-15(22(30)28-19-8-7-14(23)11-26-19)16(10-18(17)32-2)27-21(29)13-5-3-12(4-6-13)20(24)25/h3-11H,1-2H3,(H3,24,25)(H,27,29)(H,26,28,30)
SMILES: COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C21H15ClN4O3/c1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19/h2-10,12H,1H3,(H,25,27)(H,24,26,28)
SMILES: COc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H22ClN5O3/c1-30-12-11-26-22(30)15-3-5-16(6-4-15)23(31)28-20-9-8-18(33-2)13-19(20)24(32)29-21-10-7-17(25)14-27-21/h3-10,13-14H,11-12H2,1-2H3,(H,28,31)(H,27,29,32)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][N]
InChI: InChI=1S/C21H18ClN5O3/c1-30-15-7-8-17(26-20(28)13-4-2-12(3-5-13)19(23)24)16(10-15)21(29)27-18-9-6-14(22)11-25-18/h2-11H,1H3,(H3,23,24)(H,26,28)(H,25,27,29)
SMILES: CNC(=N)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H20ClN5O3/c1-25-20(24)13-3-5-14(6-4-13)21(29)27-18-9-8-16(31-2)11-17(18)22(30)28-19-10-7-15(23)12-26-19/h3-12H,1-2H3,(H2,24,25)(H,27,29)(H,26,28,30)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCCC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=N][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H24ClN5O3/c1-34-19-9-10-21(20(14-19)25(33)30-22-11-8-18(26)15-28-22)29-24(32)17-6-4-16(5-7-17)23(27)31-12-2-3-13-31/h4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCCCC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H26ClN5O3/c1-35-20-10-11-22(21(15-20)26(34)31-23-12-9-19(27)16-29-23)30-25(33)18-7-5-17(6-8-18)24(28)32-13-3-2-4-14-32/h5-12,15-16,28H,2-4,13-14H2,1H3,(H,30,33)(H,29,31,34)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCOCC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H24ClN5O4/c1-34-19-7-8-21(20(14-19)25(33)30-22-9-6-18(26)15-28-22)29-24(32)17-4-2-16(3-5-17)23(27)31-10-12-35-13-11-31/h2-9,14-15,27H,10-13H2,1H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCSCC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H24ClN5O3S/c1-34-19-7-8-21(20(14-19)25(33)30-22-9-6-18(26)15-28-22)29-24(32)17-4-2-16(3-5-17)23(27)31-10-12-35-13-11-31/h2-9,14-15,27H,10-13H2,1H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(/C(N)=N/O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][N][=N][/O][C][=C][Ring1][#Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C21H18ClN5O4/c1-31-15-7-8-17(16(10-15)21(29)26-18-9-6-14(22)11-24-18)25-20(28)13-4-2-12(3-5-13)19(23)27-30/h2-11,30H,1H3,(H2,23,27)(H,25,28)(H,24,26,29)
SMILES: COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C21H15BrN4O3/c1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19/h2-10,12H,1H3,(H,25,27)(H,24,26,28)
SMILES: COc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H22BrN5O3/c1-30-12-11-26-22(30)15-3-5-16(6-4-15)23(31)28-20-9-8-18(33-2)13-19(20)24(32)29-21-10-7-17(25)14-27-21/h3-10,13-14H,11-12H2,1-2H3,(H,28,31)(H,27,29,32)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][N]
InChI: InChI=1S/C21H18BrN5O3/c1-30-15-7-8-17(26-20(28)13-4-2-12(3-5-13)19(23)24)16(10-15)21(29)27-18-9-6-14(22)11-25-18/h2-11H,1H3,(H3,23,24)(H,26,28)(H,25,27,29)
SMILES: CNC(=N)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [C][N][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H20BrN5O3/c1-25-20(24)13-3-5-14(6-4-13)21(29)27-18-9-8-16(31-2)11-17(18)22(30)28-19-10-7-15(23)12-26-19/h3-12H,1-2H3,(H2,24,25)(H,27,29)(H,26,28,30)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C23H22BrN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCCC3)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=N][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H24BrN5O3/c1-34-19-9-10-21(20(14-19)25(33)30-22-11-8-18(26)15-28-22)29-24(32)17-6-4-16(5-7-17)23(27)31-12-2-3-13-31/h4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCCCC3)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H26BrN5O3/c1-35-20-10-11-22(21(15-20)26(34)31-23-12-9-19(27)16-29-23)30-25(33)18-7-5-17(6-8-18)24(28)32-13-3-2-4-14-32/h5-12,15-16,28H,2-4,13-14H2,1H3,(H,30,33)(H,29,31,34)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCOCC3)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H24BrN5O4/c1-34-19-7-8-21(20(14-19)25(33)30-22-9-6-18(26)15-28-22)29-24(32)17-4-2-16(3-5-17)23(27)31-10-12-35-13-11-31/h2-9,14-15,27H,10-13H2,1H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCSCC3)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H24BrN5O3S/c1-34-19-7-8-21(20(14-19)25(33)30-22-9-6-18(26)15-28-22)29-24(32)17-4-2-16(3-5-17)23(27)31-10-12-35-13-11-31/h2-9,14-15,27H,10-13H2,1H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(/C(N)=N/O)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][N][=N][/O][C][=C][Ring1][#Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C21H18BrN5O4/c1-31-15-7-8-17(16(10-15)21(29)26-18-9-6-14(22)11-24-18)25-20(28)13-4-2-12(3-5-13)19(23)27-30/h2-11,30H,1H3,(H2,23,27)(H,25,28)(H,24,26,29)
SMILES: N#Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][#C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H13ClN4O3/c21-14-5-8-18(23-11-14)25-20(28)16-9-15(26)6-7-17(16)24-19(27)13-3-1-12(10-22)2-4-13/h1-9,11,26H,(H,24,27)(H,23,25,28)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C24H19ClN4O5/c1-2-33-22(30)14-34-18-8-9-20(28-23(31)16-5-3-15(12-26)4-6-16)19(11-18)24(32)29-21-10-7-17(25)13-27-21/h3-11,13H,2,14H2,1H3,(H,28,31)(H,27,29,32)
SMILES: COC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H24ClN5O5/c1-31(2)23(27)15-4-6-16(7-5-15)24(33)29-20-10-9-18(36-14-22(32)35-3)12-19(20)25(34)30-21-11-8-17(26)13-28-21/h4-13,27H,14H2,1-3H3,(H,29,33)(H,28,30,34)
SMILES: N/C(=N/O)c1ccc(C(=O)Nc2ccc(O)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][/C][=Branch1][Ring1][=N][/O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H16ClN5O4/c21-13-5-8-17(23-10-13)25-20(29)15-9-14(27)6-7-16(15)24-19(28)12-3-1-11(2-4-12)18(22)26-30/h1-10,27,30H,(H2,22,26)(H,24,28)(H,23,25,29)
SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(O)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H16ClN5O3/c21-13-5-8-17(24-10-13)26-20(29)15-9-14(27)6-7-16(15)25-19(28)12-3-1-11(2-4-12)18(22)23/h1-10,27H,(H3,22,23)(H,25,28)(H,24,26,29)
SMILES: CN(C)C(=N)c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H22ClN5O5/c1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20/h3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34)
SMILES: COc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C24H21ClFN5O3/c1-31-10-9-27-22(31)14-3-6-17(19(26)11-14)23(32)29-20-7-5-16(34-2)12-18(20)24(33)30-21-8-4-15(25)13-28-21/h3-8,11-13H,9-10H2,1-2H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C21H17ClFN5O3/c1-31-13-4-6-17(15(9-13)21(30)28-18-7-3-12(22)10-26-18)27-20(29)14-5-2-11(19(24)25)8-16(14)23/h2-10H,1H3,(H3,24,25)(H,27,29)(H,26,28,30)
SMILES: CNC(=N)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
SELFIES: [C][N][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][N]
InChI: InChI=1S/C22H19ClFN5O3/c1-26-20(25)12-3-6-15(17(24)9-12)21(30)28-18-7-5-14(32-2)10-16(18)22(31)29-19-8-4-13(23)11-27-19/h3-11H,1-2H3,(H2,25,26)(H,28,30)(H,27,29,31)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][C][C][Ring1][Ring2][C][=C][Ring1][N][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C24H21ClFN5O3/c1-34-16-5-7-20(18(12-16)24(33)30-21-8-4-15(25)13-28-21)29-23(32)17-6-3-14(11-19(17)26)22(27)31-9-2-10-31/h3-8,11-13,27H,2,9-10H2,1H3,(H,29,32)(H,28,30,33)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCCC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=N][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H23ClFN5O3/c1-35-17-6-8-21(19(13-17)25(34)31-22-9-5-16(26)14-29-22)30-24(33)18-7-4-15(12-20(18)27)23(28)32-10-2-3-11-32/h4-9,12-14,28H,2-3,10-11H2,1H3,(H,30,33)(H,29,31,34)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCCCC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H25ClFN5O3/c1-36-18-7-9-22(20(14-18)26(35)32-23-10-6-17(27)15-30-23)31-25(34)19-8-5-16(13-21(19)28)24(29)33-11-3-2-4-12-33/h5-10,13-15,29H,2-4,11-12H2,1H3,(H,31,34)(H,30,32,35)
SMILES: COc1ccc(NC(=O)c2ccc(C(=N)N3CCSCC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][=C][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring2][C]
InChI: InChI=1S/C25H23ClFN5O3S/c1-35-17-4-6-21(19(13-17)25(34)31-22-7-3-16(26)14-29-22)30-24(33)18-5-2-15(12-20(18)27)23(28)32-8-10-36-11-9-32/h2-7,12-14,28H,8-11H2,1H3,(H,30,33)(H,29,31,34)
SMILES: COc1ccc(NC(=O)c2ccc(/C(N)=N/O)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][N][=N][/O][C][=C][Ring1][#Branch2][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C21H17ClFN5O4/c1-32-13-4-6-17(15(9-13)21(30)27-18-7-3-12(22)10-25-18)26-20(29)14-5-2-11(8-16(14)23)19(24)28-31/h2-10,31H,1H3,(H2,24,28)(H,26,29)(H,25,27,30)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H26ClN5O5/c1-3-37-24(34)16-38-20-9-10-22(21(14-20)27(36)32-23-11-8-19(28)15-30-23)31-26(35)18-6-4-17(5-7-18)25-29-12-13-33(25)2/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,31,35)(H,30,32,36)
SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H22ClN5O5/c1-31-11-10-27-23(31)15-2-4-16(5-3-15)24(34)29-20-8-7-18(36-14-22(32)33)12-19(20)25(35)30-21-9-6-17(26)13-28-21/h2-9,12-13H,10-11,14H2,1H3,(H,29,34)(H,32,33)(H,28,30,35)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][N]
InChI: InChI=1S/C24H22ClN5O5/c1-2-34-21(31)13-35-17-8-9-19(29-23(32)15-5-3-14(4-6-15)22(26)27)18(11-17)24(33)30-20-10-7-16(25)12-28-20/h3-12H,2,13H2,1H3,(H3,26,27)(H,29,32)(H,28,30,33)
SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C22H18ClN5O5/c23-14-5-8-18(26-10-14)28-22(32)16-9-15(33-11-19(29)30)6-7-17(16)27-21(31)13-3-1-12(2-4-13)20(24)25/h1-10H,11H2,(H3,24,25)(H,27,31)(H,29,30)(H,26,28,32)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H26ClN5O5/c1-4-36-23(33)15-37-19-10-11-21(20(13-19)26(35)31-22-12-9-18(27)14-29-22)30-25(34)17-7-5-16(6-8-17)24(28)32(2)3/h5-14,28H,4,15H2,1-3H3,(H,30,34)(H,29,31,35)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N3CCC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][C][C][Ring1][Ring2][C][=C][Ring1][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H26ClN5O5/c1-2-37-24(34)16-38-20-9-10-22(21(14-20)27(36)32-23-11-8-19(28)15-30-23)31-26(35)18-6-4-17(5-7-18)25(29)33-12-3-13-33/h4-11,14-15,29H,2-3,12-13,16H2,1H3,(H,31,35)(H,30,32,36)
SMILES: N=C(c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1
SELFIES: [N][=C][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][N][C][C][C][Ring1][Ring2]
InChI: InChI=1S/C25H22ClN5O5/c26-17-6-9-21(28-13-17)30-25(35)19-12-18(36-14-22(32)33)7-8-20(19)29-24(34)16-4-2-15(3-5-16)23(27)31-10-1-11-31/h2-9,12-13,27H,1,10-11,14H2,(H,29,34)(H,32,33)(H,28,30,35)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N3CCCC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=N][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C28H28ClN5O5/c1-2-38-25(35)17-39-21-10-11-23(22(15-21)28(37)33-24-12-9-20(29)16-31-24)32-27(36)19-7-5-18(6-8-19)26(30)34-13-3-4-14-34/h5-12,15-16,30H,2-4,13-14,17H2,1H3,(H,32,36)(H,31,33,37)
SMILES: N=C(c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
SELFIES: [N][=C][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C26H24ClN5O5/c27-18-7-10-22(29-14-18)31-26(36)20-13-19(37-15-23(33)34)8-9-21(20)30-25(35)17-5-3-16(4-6-17)24(28)32-11-1-2-12-32/h3-10,13-14,28H,1-2,11-12,15H2,(H,30,35)(H,33,34)(H,29,31,36)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N3CCCCC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C29H30ClN5O5/c1-2-39-26(36)18-40-22-11-12-24(23(16-22)29(38)34-25-13-10-21(30)17-32-25)33-28(37)20-8-6-19(7-9-20)27(31)35-14-4-3-5-15-35/h6-13,16-17,31H,2-5,14-15,18H2,1H3,(H,33,37)(H,32,34,38)