EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(C)OC2[C@@H](/C=C/CNC(=O)c3cc(C(=O)C4CCCCC4)cc4c3OC(c3ccccc3)(c3ccccc3)O4)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1
SELFIES: [C][C][Branch1][C][C][O][C][C@@H1][Branch2][Branch1][Branch2][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Ring2][Branch1][C][O][Ring2][Branch1][=Branch1]
InChI: InChI=1S/C42H42N6O7/c1-41(2)53-35-30(51-40(36(35)54-41)48-24-47-32-37(43)45-23-46-38(32)48)19-12-20-44-39(50)29-21-26(33(49)25-13-6-3-7-14-25)22-31-34(29)55-42(52-31,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h4-5,8-12,15-19,21-25,30,35-36,40H,3,6-7,13-14,20H2,1-2H3,(H,44,50)(H2,43,45,46)/b19-12+/t30-,35?,36+,40-/m1/s1
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(C(=O)C3CCCCC3)cc(O)c2O)[C@H](O)C1O
SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring2][Ring1][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][Branch1][C][O][=C][Ring1][#C][O][C@H1][Branch1][C][O][C][Ring2][Ring1][N][O]
InChI: InChI=1S/C26H30N6O7/c27-23-18-24(30-11-29-23)32(12-31-18)26-22(37)21(36)17(39-26)7-4-8-28-25(38)15-9-14(10-16(33)20(15)35)19(34)13-5-2-1-3-6-13/h4,7,9-13,17,21-22,26,33,35-37H,1-3,5-6,8H2,(H,28,38)(H2,27,29,30)/b7-4+/t17-,21+,22?,26-/m1/s1
SMILES: CC1(C)OC2[C@@H](/C=C/CNC(=O)c3cc(Cl)cc4c3OC(c3ccccc3)(c3ccccc3)O4)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1
SELFIES: [C][C][Branch1][C][C][O][C][C@@H1][Branch2][Ring2][=N][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Ring2][Ring2][O][O][Ring2][Ring2][#C]
InChI: InChI=1S/C35H31ClN6O6/c1-34(2)46-28-24(44-33(29(28)47-34)42-19-41-26-30(37)39-18-40-31(26)42)14-9-15-38-32(43)23-16-22(36)17-25-27(23)48-35(45-25,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-14,16-19,24,28-29,33H,15H2,1-2H3,(H,38,43)(H2,37,39,40)/b14-9+/t24-,28?,29+,33-/m1/s1
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(Cl)cc(O)c2O)[C@H](O)C1O
SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][Branch2][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][O][=C][Ring1][Branch2][O][C@H1][Branch1][C][O][C][Ring2][Ring1][Branch1][O]
InChI: InChI=1S/C19H19ClN6O6/c20-8-4-9(13(28)10(27)5-8)18(31)22-3-1-2-11-14(29)15(30)19(32-11)26-7-25-12-16(21)23-6-24-17(12)26/h1-2,4-7,11,14-15,19,27-30H,3H2,(H,22,31)(H2,21,23,24)/b2-1+/t11-,14+,15?,19-/m1/s1
SMILES: COC(=O)c1cc(-c2ccc(F)cc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C27H19FO4/c1-30-26(29)23-16-19(18-12-14-22(28)15-13-18)17-24-25(23)32-27(31-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3
SMILES: O=C(O)c1cc(-c2ccc(F)cc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C26H17FO4/c27-21-13-11-17(12-14-21)18-15-22(25(28)29)24-23(16-18)30-26(31-24,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H,(H,28,29)
SMILES: CC1(C)OC2[C@@H](/C=C/CNC(=O)c3cc(-c4ccc(F)cc4)cc4c3OC(c3ccccc3)(c3ccccc3)O4)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1
SELFIES: [C][C][Branch1][C][C][O][C][C@@H1][Branch2][Branch1][#Branch1][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Ring2][Ring2][P][O][Ring2][Branch1][Branch1]
InChI: InChI=1S/C41H35FN6O6/c1-40(2)52-34-30(50-39(35(34)53-40)48-23-47-32-36(43)45-22-46-37(32)48)14-9-19-44-38(49)29-20-25(24-15-17-28(42)18-16-24)21-31-33(29)54-41(51-31,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-18,20-23,30,34-35,39H,19H2,1-2H3,(H,44,49)(H2,43,45,46)/b14-9+/t30-,34?,35+,39-/m1/s1
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(-c3ccc(F)cc3)cc(O)c2O)[C@H](O)C1O
SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring2][C][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][C][O][=C][Ring1][=C][O][C@H1][Branch1][C][O][C][Ring2][Ring1][O][O]
InChI: InChI=1S/C25H23FN6O6/c26-14-5-3-12(4-6-14)13-8-15(19(34)16(33)9-13)24(37)28-7-1-2-17-20(35)21(36)25(38-17)32-11-31-18-22(27)29-10-30-23(18)32/h1-6,8-11,17,20-21,25,33-36H,7H2,(H,28,37)(H2,27,29,30)/b2-1+/t17-,20+,21?,25-/m1/s1
SMILES: COC(=O)c1cc(-c2ccc(C)cc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C28H22O4/c1-19-13-15-20(16-14-19)21-17-24(27(29)30-2)26-25(18-21)31-28(32-26,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18H,1-2H3
SMILES: Cc1ccc(-c2cc3c(c(C(=O)O)c2)OC(c2ccccc2)(c2ccccc2)O3)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=C][Branch1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H20O4/c1-18-12-14-19(15-13-18)20-16-23(26(28)29)25-24(17-20)30-27(31-25,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-17H,1H3,(H,28,29)
SMILES: Cc1ccc(-c2cc3c(c(C(=O)NC/C=C/[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H]5OC(C)(C)OC45)c2)OC(c2ccccc2)(c2ccccc2)O3)cc1
SELFIES: [C][C][=C][C][=C][Branch2][#Branch1][#Branch1][C][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][=N][C][=C][Ring2][Branch1][Branch1]
InChI: InChI=1S/C42H38N6O6/c1-25-16-18-26(19-17-25)27-21-30(34-32(22-27)51-42(54-34,28-11-6-4-7-12-28)29-13-8-5-9-14-29)39(49)44-20-10-15-31-35-36(53-41(2,3)52-35)40(50-31)48-24-47-33-37(43)45-23-46-38(33)48/h4-19,21-24,31,35-36,40H,20H2,1-3H3,(H,44,49)(H2,43,45,46)/b15-10+/t31-,35?,36+,40-/m1/s1
SMILES: Cc1ccc(-c2cc(O)c(O)c(C(=O)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C@H1][Ring1][S][O][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C26H26N6O6/c1-13-4-6-14(7-5-13)15-9-16(20(34)17(33)10-15)25(37)28-8-2-3-18-21(35)22(36)26(38-18)32-12-31-19-23(27)29-11-30-24(19)32/h2-7,9-12,18,21-22,26,33-36H,8H2,1H3,(H,28,37)(H2,27,29,30)/b3-2+/t18-,21+,22?,26-/m1/s1
SMILES: COC(=O)c1cc(-c2nccs2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C24H17NO4S/c1-27-23(26)19-14-16(22-25-12-13-30-22)15-20-21(19)29-24(28-20,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
SMILES: O=C(O)c1cc(-c2nccs2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C23H15NO4S/c25-22(26)18-13-15(21-24-11-12-29-21)14-19-20(18)28-23(27-19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,25,26)
SMILES: CC1(C)OC2[C@@H](/C=C/CNC(=O)c3cc(-c4nccs4)cc4c3OC(c3ccccc3)(c3ccccc3)O4)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1
SELFIES: [C][C][Branch1][C][C][O][C][C@@H1][Branch2][Branch1][Ring1][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Ring2][Ring2][#C][O][Ring2][Branch1][Ring1]
InChI: InChI=1S/C38H33N7O6S/c1-37(2)49-30-26(47-36(31(30)50-37)45-21-44-28-32(39)42-20-43-33(28)45)14-9-15-40-34(46)25-18-22(35-41-16-17-52-35)19-27-29(25)51-38(48-27,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-14,16-21,26,30-31,36H,15H2,1-2H3,(H,40,46)(H2,39,42,43)/b14-9+/t26-,30?,31+,36-/m1/s1
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(-c3nccs3)cc(O)c2O)[C@H](O)C1O
SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][=C][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][C][Branch1][C][O][=C][Ring1][N][O][C@H1][Branch1][C][O][C][Ring2][Ring1][=Branch2][O]
InChI: InChI=1S/C22H21N7O6S/c23-18-14-19(27-8-26-18)29(9-28-14)22-17(33)16(32)13(35-22)2-1-3-24-20(34)11-6-10(7-12(30)15(11)31)21-25-4-5-36-21/h1-2,4-9,13,16-17,22,30-33H,3H2,(H,24,34)(H2,23,26,27)/b2-1+/t13-,16+,17?,22-/m1/s1
SMILES: COC(=O)c1cc(-c2nc3ccccc3s2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C28H19NO4S/c1-31-27(30)21-16-18(26-29-22-14-8-9-15-24(22)34-26)17-23-25(21)33-28(32-23,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17H,1H3
SMILES: O=C(O)c1cc(-c2nc3ccccc3s2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C27H17NO4S/c29-26(30)20-15-17(25-28-21-13-7-8-14-23(21)33-25)16-22-24(20)32-27(31-22,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,(H,29,30)
SMILES: CC1(C)OC2[C@@H](/C=C/CNC(=O)c3cc(-c4nc5ccccc5s4)cc4c3OC(c3ccccc3)(c3ccccc3)O4)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1
SELFIES: [C][C][Branch1][C][C][O][C][C@@H1][Branch2][Branch1][=Branch2][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Ring2][Branch1][Ring1][O][Ring2][Branch1][#Branch1]
InChI: InChI=1S/C42H35N7O6S/c1-41(2)53-34-29(51-40(35(34)54-41)49-23-47-32-36(43)45-22-46-37(32)49)17-11-19-44-38(50)27-20-24(39-48-28-16-9-10-18-31(28)56-39)21-30-33(27)55-42(52-30,25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-18,20-23,29,34-35,40H,19H2,1-2H3,(H,44,50)(H2,43,45,46)/b17-11+/t29-,34?,35+,40-/m1/s1
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(-c3nc4ccccc4s3)cc(O)c2O)[C@H](O)C1O
SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring2][Ring2][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][Branch1][C][O][=C][Ring1][S][O][C@H1][Branch1][C][O][C][Ring2][Ring1][=N][O]
InChI: InChI=1S/C26H23N7O6S/c27-22-18-23(30-10-29-22)33(11-31-18)26-21(37)20(36)16(39-26)5-3-7-28-24(38)13-8-12(9-15(34)19(13)35)25-32-14-4-1-2-6-17(14)40-25/h1-6,8-11,16,20-21,26,34-37H,7H2,(H,28,38)(H2,27,29,30)/b5-3+/t16-,20+,21?,26-/m1/s1
SMILES: COC(=O)c1cc(-c2ccncc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C26H19NO4/c1-29-25(28)22-16-19(18-12-14-27-15-13-18)17-23-24(22)31-26(30-23,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3
SMILES: O=C(O)c1cc(-c2ccncc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C25H17NO4/c27-24(28)21-15-18(17-11-13-26-14-12-17)16-22-23(21)30-25(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H,(H,27,28)
SMILES: CC1(C)OC2[C@@H](/C=C/CNC(=O)c3cc(-c4ccncc4)cc4c3OC(c3ccccc3)(c3ccccc3)O4)O[C@@H](n3cnc4c(N)ncnc43)[C@H]2O1
SELFIES: [C][C][Branch1][C][C][O][C][C@@H1][Branch2][Branch1][Ring2][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Ring2][Ring2][S][O][Ring2][Branch1][Ring2]
InChI: InChI=1S/C40H35N7O6/c1-39(2)51-33-29(49-38(34(33)52-39)47-23-46-31-35(41)44-22-45-36(31)47)14-9-17-43-37(48)28-20-25(24-15-18-42-19-16-24)21-30-32(28)53-40(50-30,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-16,18-23,29,33-34,38H,17H2,1-2H3,(H,43,48)(H2,41,44,45)/b14-9+/t29-,33?,34+,38-/m1/s1
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(-c3ccncc3)cc(O)c2O)[C@H](O)C1O
SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][#C][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][C][O][=C][Ring1][=N][O][C@H1][Branch1][C][O][C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C24H23N7O6/c25-21-17-22(29-10-28-21)31(11-30-17)24-20(35)19(34)16(37-24)2-1-5-27-23(36)14-8-13(9-15(32)18(14)33)12-3-6-26-7-4-12/h1-4,6-11,16,19-20,24,32-35H,5H2,(H,27,36)(H2,25,28,29)/b2-1+/t16-,19+,20?,24-/m1/s1
SMILES: COC(=O)c1cc(Cc2ccc(C)cc2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C29H24O4/c1-20-13-15-21(16-14-20)17-22-18-25(28(30)31-2)27-26(19-22)32-29(33-27,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,18-19H,17H2,1-2H3
SMILES: Cc1ccc(Cc2cc3c(c(C(=O)O)c2)OC(c2ccccc2)(c2ccccc2)O3)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][=N][C][C][=C][C][=C][Branch1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C28H22O4/c1-19-12-14-20(15-13-19)16-21-17-24(27(29)30)26-25(18-21)31-28(32-26,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,17-18H,16H2,1H3,(H,29,30)
SMILES: Cc1ccc(Cc2cc3c(c(C(=O)NC/C=C/[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H]5OC(C)(C)OC45)c2)OC(c2ccccc2)(c2ccccc2)O3)cc1
SELFIES: [C][C][=C][C][=C][Branch2][#Branch1][Branch2][C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][=N][C][=C][Ring2][Branch1][=Branch1]
InChI: InChI=1S/C43H40N6O6/c1-26-16-18-27(19-17-26)21-28-22-31(35-33(23-28)52-43(55-35,29-11-6-4-7-12-29)30-13-8-5-9-14-30)40(50)45-20-10-15-32-36-37(54-42(2,3)53-36)41(51-32)49-25-48-34-38(44)46-24-47-39(34)49/h4-19,22-25,32,36-37,41H,20-21H2,1-3H3,(H,45,50)(H2,44,46,47)/b15-10+/t32-,36?,37+,41-/m1/s1
SMILES: Cc1ccc(Cc2cc(O)c(O)c(C(=O)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C@H1][Ring1][S][O][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C27H28N6O6/c1-14-4-6-15(7-5-14)9-16-10-17(21(35)18(34)11-16)26(38)29-8-2-3-19-22(36)23(37)27(39-19)33-13-32-20-24(28)30-12-31-25(20)33/h2-7,10-13,19,22-23,27,34-37H,8-9H2,1H3,(H,29,38)(H2,28,30,31)/b3-2+/t19-,22+,23?,27-/m1/s1
SMILES: CN(C)C(=O)c1cc2c(c(C(=O)O)c1)OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C23H19NO5/c1-24(2)21(25)15-13-18(22(26)27)20-19(14-15)28-23(29-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,26,27)
SMILES: CN(C)C(=O)c1cc2c(c(C(=O)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H]4OC(C)(C)OC34)c1)OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][=N]
InChI: InChI=1S/C38H37N7O7/c1-37(2)50-30-26(48-36(31(30)51-37)45-21-43-28-32(39)41-20-42-33(28)45)16-11-17-40-34(46)25-18-22(35(47)44(3)4)19-27-29(25)52-38(49-27,23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-16,18-21,26,30-31,36H,17H2,1-4H3,(H,40,46)(H2,39,41,42)/b16-11+/t26-,30?,31+,36-/m1/s1
SMILES: CN(C)C(=O)c1cc(O)c(O)c(C(=O)NC/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)[C@H]2O)c1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C@H1][Ring1][S][O][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C22H25N7O7/c1-28(2)21(35)10-6-11(15(31)12(30)7-10)20(34)24-5-3-4-13-16(32)17(33)22(36-13)29-9-27-14-18(23)25-8-26-19(14)29/h3-4,6-9,13,16-17,22,30-33H,5H2,1-2H3,(H,24,34)(H2,23,25,26)/b4-3+/t13-,16+,17?,22-/m1/s1
SMILES: COC(=O)c1cc(/C=C/C(=O)N(C)C)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][/C][=C][/C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C26H23NO5/c1-27(2)23(28)15-14-18-16-21(25(29)30-3)24-22(17-18)31-26(32-24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3/b15-14+
SMILES: CN(C)C(=O)/C=C/c1cc2c(c(C(=O)O)c1)OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C25H21NO5/c1-26(2)22(27)14-13-17-15-20(24(28)29)23-21(16-17)30-25(31-23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,28,29)/b14-13+
SMILES: CN(C)C(=O)/C=C/c1cc2c(c(C(=O)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H]4OC(C)(C)OC34)c1)OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][=N]
InChI: InChI=1S/C40H39N7O7/c1-39(2)52-33-28(50-38(34(33)53-39)47-23-45-31-35(41)43-22-44-36(31)47)16-11-19-42-37(49)27-20-24(17-18-30(48)46(3)4)21-29-32(27)54-40(51-29,25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-18,20-23,28,33-34,38H,19H2,1-4H3,(H,42,49)(H2,41,43,44)/b16-11+,18-17+/t28-,33?,34+,38-/m1/s1
SMILES: CN(C)C(=O)/C=C/c1cc(O)c(O)c(C(=O)NC/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)[C@H]2O)c1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C@H1][Ring1][S][O][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H27N7O7/c1-30(2)16(33)6-5-12-8-13(18(34)14(32)9-12)23(37)26-7-3-4-15-19(35)20(36)24(38-15)31-11-29-17-21(25)27-10-28-22(17)31/h3-6,8-11,15,19-20,24,32,34-36H,7H2,1-2H3,(H,26,37)(H2,25,27,28)/b4-3+,6-5+/t15-,19+,20?,24-/m1/s1
SMILES: COCOc1ccc(C(F)(F)F)cc1O
SELFIES: [C][O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O]
InChI: InChI=1S/C9H9F3O3/c1-14-5-15-8-3-2-6(4-7(8)13)9(10,11)12/h2-4,13H,5H2,1H3
SMILES: Oc1cc(C(F)(F)F)cc(Br)c1O
SELFIES: [O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Br][=C][Ring1][O][O]
InChI: InChI=1S/C7H4BrF3O2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2,12-13H
SMILES: FC(F)(F)c1cc(Br)c(OCc2ccccc2)c(OCc2ccccc2)c1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][C][Br][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C21H16BrF3O2/c22-18-11-17(21(23,24)25)12-19(26-13-15-7-3-1-4-8-15)20(18)27-14-16-9-5-2-6-10-16/h1-12H,13-14H2
SMILES: COC(=O)c1cc(C(F)(F)F)cc(OCc2ccccc2)c1OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C23H19F3O4/c1-28-22(27)19-12-18(23(24,25)26)13-20(29-14-16-8-4-2-5-9-16)21(19)30-15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3
SMILES: COC(=O)c1cc(C(F)(F)F)cc(O)c1O
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][O][=C][Ring1][O][O]
InChI: InChI=1S/C9H7F3O4/c1-16-8(15)5-2-4(9(10,11)12)3-6(13)7(5)14/h2-3,13-14H,1H3