EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C22H26O11/c23-8-12-14(25)15(26)16(27)21(30-12)32-20-13-11(6-7-29-20)17(18-22(13,9-24)33-18)31-19(28)10-4-2-1-3-5-10/h1-7,11-18,20-21,23-27H,8-9H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@H]1OCC7=C8C=CC=CC8=CC9=CC=CC=C97)OC5=C(C=C4)OCC1=CC=CC=C1)O
InChI: InChI=1S/C42H41NO4/c44-42-19-18-36(46-26-34-32-12-6-4-10-29(32)22-30-11-5-7-13-33(30)34)40-41(42)20-21-43(24-27-14-15-27)37(42)23-31-16-17-35(39(47-40)38(31)41)45-25-28-8-2-1-3-9-28/h1-13,16-17,22,27,36-37,40,44H,14-15,18-21,23-26H2/t36-,37+,40-,41-,42+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)C[C@@H](C(=O)O)NC(=O)OCC4=CC=CC=C4)CO)O
InChI: InChI=1S/C21H23N5O7/c27-8-16-15(28)7-17(33-16)26-11-24-18-13(22-10-23-19(18)26)6-14(20(29)30)25-21(31)32-9-12-4-2-1-3-5-12/h1-5,10-11,14-17,27-28H,6-9H2,(H,25,31)(H,29,30)/t14-,15-,16+,17+/m0/s1
SMILES: CC(=O)O/C=C\[C@H]1[C@@H](CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@H]3OC(=O)C)C)CC(=O)OC
InChI: InChI=1S/C23H34O6/c1-14(24)28-12-10-17-16(13-22(26)27-4)5-6-19-18(17)9-11-23(3)20(19)7-8-21(23)29-15(2)25/h10,12,16-21H,5-9,11,13H2,1-4H3/b12-10-/t16-,17-,18+,19+,20-,21-,23-/m0/s1
SMILES: C1[C@@H]([C@H]1C2(C(=O)NC(=O)N2)CCC3=CC(=CC=C3)F)C(=O)O
InChI: InChI=1S/C15H15FN2O4/c16-9-3-1-2-8(6-9)4-5-15(11-7-10(11)12(19)20)13(21)17-14(22)18-15/h1-3,6,10-11H,4-5,7H2,(H,19,20)(H2,17,18,21,22)/t10-,11-,15?/m0/s1
SMILES: C[C@H]1[C@H](O1)P(=O)(O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C
InChI: InChI=1S/C16H19N3O5S.C3H7O4P/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;1-2-3(7-2)8(4,5)6/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);2-3H,1H3,(H2,4,5,6)/t9?,10-,11+,14-;2-,3+/m10/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C3)(C)C
InChI: InChI=1S/C18H23NO4/c1-12-4-6-13(7-5-12)19-16(21)14-10-15(20)23-18(14)8-9-22-17(2,3)11-18/h4-7,14H,8-11H2,1-3H3,(H,19,21)/t14-,18-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6C9=NNN=N9
InChI: InChI=1S/C27H26N6O3/c34-19-8-7-15-11-20-27(35)12-17-16-3-1-2-4-18(16)33(25-28-30-31-29-25)22(17)24-26(27,21(15)23(19)36-24)9-10-32(20)13-14-5-6-14/h1-4,7-8,14,20,24,34-35H,5-6,9-13H2,(H,28,29,30,31)/t20?,24-,26-,27+/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1OC(=O)C)C)C=CC(=C4)O
InChI: InChI=1S/C22H28O5/c1-12(23)26-20-11-19-18-6-4-14-10-15(25)5-7-16(14)17(18)8-9-22(19,3)21(20)27-13(2)24/h5,7,10,17-21,25H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20-,21+,22+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H16N2O6/c20-15(25-12-7-5-11(6-8-12)19(23)24)9-10-18-16(21)13-3-1-2-4-14(13)17(18)22/h1-2,5-8,13-14H,3-4,9-10H2/t13-,14+
SMILES: CC(=O)OC1C([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O
InChI: InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15?,16-,17?,19-,20-,21+,22-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)Br)O)OC)C(=O)N(C4=O)C(=O)OC
InChI: InChI=1S/C26H22BrNO8/c1-10-6-17(29)21-15(22(10)30)9-14-12(19(21)11-7-16(27)23(31)18(8-11)35-2)4-5-13-20(14)25(33)28(24(13)32)26(34)36-3/h4,6-8,13-14,19-20,31H,5,9H2,1-3H3/t13-,14+,19-,20-/m0/s1
SMILES: C[C@@H]1C(=O)CC[C@@]2([C@]13CC[NH+]([C@@H]2CC4=C3C(=C(C=C4)OC)O)C)OCCCC5=CC=CC=C5.[Cl-]
InChI: InChI=1S/C28H35NO4.ClH/c1-19-22(30)13-14-28(33-17-7-10-20-8-5-4-6-9-20)24-18-21-11-12-23(32-3)26(31)25(21)27(19,28)15-16-29(24)2;/h4-6,8-9,11-12,19,24,31H,7,10,13-18H2,1-3H3;1H/t19-,24-,27-,28-;/m1./s1
SMILES: CN1C2=CC=CC=C2[C@]3(C1=O)CC[NH2+][C@H]3C4=CC=C(C=C4)OC
InChI: InChI=1S/C19H20N2O2/c1-21-16-6-4-3-5-15(16)19(18(21)22)11-12-20-17(19)13-7-9-14(23-2)10-8-13/h3-10,17,20H,11-12H2,1-2H3/p+1/t17-,19+/m0/s1
SMILES: C[C@H]1[C@@H](C[C@H](O[C@H]1CO[Si](C)(C)C(C)(C)C)C/C=C/I)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H45IO3Si2/c1-17-19(26-28(10,11)22(5,6)7)15-18(13-12-14-23)25-20(17)16-24-27(8,9)21(2,3)4/h12,14,17-20H,13,15-16H2,1-11H3/b14-12+/t17-,18+,19+,20-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)NC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H21ClN2O2S/c19-14-10-12-16(13-11-14)24(22,23)21-18-9-5-4-8-17(18)20-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,20-21H,4-5,8-9H2/t17-,18+/m1/s1
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)O)C5=CC(=CC=C5)N
InChI: InChI=1S/C27H27N3O7/c1-30(2)21-16-10-12-9-15-14(11-4-3-5-13(28)8-11)6-7-17(31)19(15)22(32)18(12)24(34)27(16,37)25(35)20(23(21)33)26(29)36/h3-8,12,16,20-21,31-32,37H,9-10,28H2,1-2H3,(H2,29,36)/t12-,16-,20?,21-,27-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C(C(C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)C(=C)CO2)C
InChI: InChI=1S/C33H57NO9/c1-13-24-33(9)25(18(3)16-40-33)20(5)26(35)17(2)15-32(8,39-12)29(21(6)27(36)22(7)30(38)42-24)43-31-28(37)23(34(10)11)14-19(4)41-31/h17,19-25,27-29,31,36-37H,3,13-16H2,1-2,4-12H3/t17-,19-,20?,21+,22-,23+,24-,25?,27+,28-,29-,31+,32-,33-/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC4=C(C=CC=C4Cl)F)O2
InChI: InChI=1S/C17H15ClFNO4/c1-23-16(22)13-12-5-6-17(24-12)8-20(15(21)14(13)17)7-9-10(18)3-2-4-11(9)19/h2-6,12-14H,7-8H2,1H3/t12-,13+,14+,17-/m1/s1
SMILES: C1CC1C#C[C@]2([C@H](C(=O)NC3=C2C=C(C=C3)Cl)OCC4=CN=CC=C4)C(F)(F)F
InChI: InChI=1S/C21H16ClF3N2O2/c22-15-5-6-17-16(10-15)20(21(23,24)25,8-7-13-3-4-13)18(19(28)27-17)29-12-14-2-1-9-26-11-14/h1-2,5-6,9-11,13,18H,3-4,12H2,(H,27,28)/t18-,20-/m0/s1
SMILES: CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4CC[C@]35[C@@]4(C[C@H](CC5)O)Cl)C)O
InChI: InChI=1S/C22H35ClO2/c1-13(24)17-3-4-18-16-11-14-5-9-21(19(16)7-8-20(17,18)2)10-6-15(25)12-22(14,21)23/h13-19,24-25H,3-12H2,1-2H3/t13?,14-,15+,16+,17-,18+,19+,20-,21-,22+/m1/s1
SMILES: C[C@@H]1CCC23CCC(=O)C2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)C4=CN=CN(C4=O)C)C
InChI: InChI=1S/C26H36N2O5/c1-7-24(4)12-19(33-23(32)17-13-27-14-28(6)22(17)31)25(5)15(2)8-10-26(16(3)21(24)30)11-9-18(29)20(25)26/h7,13-16,19-21,30H,1,8-12H2,2-6H3/t15-,16+,19-,20?,21+,24-,25+,26?/m1/s1
SMILES: CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@@H]2[C@@H]([C@@H]([C@@H]3[C@@H]([C@H]2OCC4=CC=CC=C4)O[C@]([C@@](O3)(C)OC)(C)OC)OCC5=CC=CC=C5)O
InChI: InChI=1S/C36H42O11/c1-23(37)44-28(26-19-13-8-14-20-26)34(39)45-30-27(38)29(42-21-24-15-9-6-10-16-24)32-33(31(30)43-22-25-17-11-7-12-18-25)47-36(3,41-5)35(2,40-4)46-32/h6-20,27-33,38H,21-22H2,1-5H3/t27-,28+,29+,30-,31+,32-,33-,35+,36+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CCC(=C)C2CCC[C@@](C)(C=C)O)(C)C
InChI: InChI=1S/C21H36O/c1-7-20(5,22)14-8-10-17-16(2)11-12-18-19(3,4)13-9-15-21(17,18)6/h7,17-18,22H,1-2,8-15H2,3-6H3/t17?,18-,20+,21+/m0/s1
SMILES: C[C@H]([C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)OC)O
InChI: InChI=1S/C11H17NO4S/c1-5(13)6-8(14)12-7(10(15)16-4)11(2,3)17-9(6)12/h5-7,9,13H,1-4H3/t5-,6-,7+,9-/m1/s1
SMILES: CCCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CN=CC=C3)C
InChI: InChI=1S/C20H24N2O3/c1-3-4-11-25-20(24)17-13(2)22-15-8-5-9-16(23)19(15)18(17)14-7-6-10-21-12-14/h6-7,10,12,18-19H,3-5,8-9,11H2,1-2H3/t18-,19+/m0/s1
SMILES: COC1=CC(=C(C=C1)C(=O)[C@H]2[C@@H](O2)C3=CC4=CC=CC=C4O3)OCC5=CC=CC=C5
InChI: InChI=1S/C25H20O5/c1-27-18-11-12-19(21(14-18)28-15-16-7-3-2-4-8-16)23(26)25-24(30-25)22-13-17-9-5-6-10-20(17)29-22/h2-14,24-25H,15H2,1H3/t24-,25-/m0/s1
SMILES: COC1=CC=C(C=C1)CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=CC=C4)N=N2
InChI: InChI=1S/C18H16N4O3/c1-25-14-9-7-12(8-10-14)11-21-16-15(19-20-21)17(23)22(18(16)24)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C15H22N2O6/c1-8(9-5-3-2-4-6-9)16-15(22)17-14-13(21)12(20)11(19)10(7-18)23-14/h2-6,8,10-14,18-21H,7H2,1H3,(H2,16,17,22)/t8-,10+,11+,12-,13+,14+/m0/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C3=C(C(=NC(=N3)N)Cl)N=N2)O)O)CO
InChI: InChI=1S/C10H13ClN6O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H2,12,13,14)/t3-,4-,6-,7+/m1/s1
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C21H25NO3/c23-20(18-16-6-7-17(13-16)19(18)21(24)25)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,15-19H,8-13H2,(H,24,25)/t16-,17+,18-,19+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2[C@H](C=C(S[C@@H]2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C4=CC=CC=C4)C5=CC=CC=C5)C(C)C
InChI: InChI=1S/C39H52O4S/c1-24(2)30-19-17-26(5)21-33(30)42-38(40)36-32(28-13-9-7-10-14-28)23-35(29-15-11-8-12-16-29)44-37(36)39(41)43-34-22-27(6)18-20-31(34)25(3)4/h7-16,23-27,30-34,36-37H,17-22H2,1-6H3/t26-,27-,30+,31+,32-,33-,34-,36+,37+/m1/s1
SMILES: CCOCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3
InChI: InChI=1S/C22H24N2O5/c1-3-27-12-13-28-21(25)19-15(2)23-22(26)24-20(19)16-8-7-11-18(14-16)29-17-9-5-4-6-10-17/h4-11,14,19-20H,2-3,12-13H2,1H3,(H2,23,24,26)/t19-,20+/m1/s1
SMILES: C/C=C/COC1=CC(=C2C(=C1)C=C3C[C@H]([C@@H](C(=O)C3=C2OC/C=C/C)O)[C@@H](C(=O)[C@@H]4[C@H](OC5(O4)CCCC5)C)OC)OCOCC6=CC=CC=C6
InChI: InChI=1S/C41H48O10/c1-5-7-18-47-30-21-28-20-29-22-31(39(45-4)37(44)38-26(3)50-41(51-38)16-12-13-17-41)35(42)36(43)34(29)40(48-19-8-6-2)33(28)32(23-30)49-25-46-24-27-14-10-9-11-15-27/h5-11,14-15,20-21,23,26,31,35,38-39,42H,12-13,16-19,22,24-25H2,1-4H3/b7-5+,8-6+/t26-,31-,35+,38+,39+/m1/s1
SMILES: CC1=CC=CC=C1CNC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](S4)C(=O)N5CCC(CC5)CC6=CC=CC=C6)O)O
InChI: InChI=1S/C30H33ClN6O3S/c1-18-7-5-6-10-21(18)16-32-26-22-27(35-30(31)34-26)37(17-33-22)29-24(39)23(38)25(41-29)28(40)36-13-11-20(12-14-36)15-19-8-3-2-4-9-19/h2-10,17,20,23-25,29,38-39H,11-16H2,1H3,(H,32,34,35)/t23-,24+,25-,29+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C26H30O5/c1-17(2)20-14-13-18(3)15-23(20)31-24(27)16-30-26(29)22-12-8-7-11-21(22)25(28)19-9-5-4-6-10-19/h4-12,17-18,20,23H,13-16H2,1-3H3/t18-,20+,23-/m1/s1
SMILES: C[C@H]1[C@]2([C@H](C=C([C@H]([C@H]2O)O)C)C(=O)N1CC3=CC=CC=C3)O
InChI: InChI=1S/C17H21NO4/c1-10-8-13-16(21)18(9-12-6-4-3-5-7-12)11(2)17(13,22)15(20)14(10)19/h3-8,11,13-15,19-20,22H,9H2,1-2H3/t11-,13+,14+,15+,17+/m0/s1
SMILES: C[C@@H]1[C@@H](N[C@H]([C@@H](C1=O)C)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H25NO/c1-13-5-9-17(10-6-13)19-15(3)21(23)16(4)20(22-19)18-11-7-14(2)8-12-18/h5-12,15-16,19-20,22H,1-4H3/t15-,16+,19-,20-/m1/s1
SMILES: CC(C)N(C[C@H]1CNC[C@@H]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)OCCCOC
InChI: InChI=1S/C26H36N2O3/c1-20(2)28(19-24-18-27-17-23(24)15-21-9-5-4-6-10-21)26(29)22-11-7-12-25(16-22)31-14-8-13-30-3/h4-7,9-12,16,20,23-24,27H,8,13-15,17-19H2,1-3H3/t23-,24+/m0/s1
SMILES: CC1(O[C@H]2[C@@H]3CC=CCN3[C@H]([C@H]2O1)CN=[N+]=[N-])C
InChI: InChI=1S/C12H18N4O2/c1-12(2)17-10-8-5-3-4-6-16(8)9(7-14-15-13)11(10)18-12/h3-4,8-11H,5-7H2,1-2H3/t8-,9-,10-,11+/m0/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@H]4N=[N+]=[N-])O)C
InChI: InChI=1S/C19H29N3O2/c1-18-7-5-12(23)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(24)17(19)21-22-20/h11,13-17,24H,3-10H2,1-2H3/t11-,13+,14-,15-,16-,17+,18-,19-/m0/s1
SMILES: C[C@H](CCC(F)(F)S(=O)(=O)C(C)(C)C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C28H42F2O4S/c1-18(13-15-28(29,30)35(33,34)26(3,4)5)23-11-12-24-20(8-7-14-27(23,24)6)9-10-21-16-22(31)17-25(32)19(21)2/h9-11,18,22,24-25,31-32H,2,7-8,12-17H2,1,3-6H3/b20-9+,21-10-/t18-,22-,24+,25+,27-/m1/s1
SMILES: CC1=C(C=CC(=C1)OCCCNCCCO)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C
InChI: InChI=1S/C26H41N3O8/c1-15(2)21-19(25(29-28-21)37-26-24(34)23(33)22(32)20(14-31)36-26)13-17-6-7-18(12-16(17)3)35-11-5-9-27-8-4-10-30/h6-7,12,15,20,22-24,26-27,30-34H,4-5,8-11,13-14H2,1-3H3,(H,28,29)/t20-,22-,23+,24-,26+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN7C=NC(=C7Cl)Cl
InChI: InChI=1S/C41H38Cl2N4O7/c1-25-34(21-46-24-44-37(42)38(46)43)53-40(54-36(25)29-13-11-26(22-48)12-14-29)30-17-15-28(16-18-30)32-10-6-5-9-31(32)20-47-35(49)19-33(39(47)50)45-41(51)52-23-27-7-3-2-4-8-27/h2-18,24-25,33-34,36,40,48H,19-23H2,1H3,(H,45,51)/t25-,33?,34+,36+,40+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C16H21Cl2NO2/c1-10-4-3-5-15(11(10)2)19-16(20)9-21-12-6-7-13(17)14(18)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)/t10-,11+,15-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C7=CC=CC=C67)O
InChI: InChI=1S/C33H24N2O7/c1-16-14-27(37)25-15-24-22(28(30(25)31(16)38)21-12-13-26(36)20-5-3-2-4-19(20)21)10-11-23-29(24)33(40)34(32(23)39)17-6-8-18(9-7-17)35(41)42/h2-10,12-14,23-24,28-29,36H,11,15H2,1H3/t23-,24+,28-,29-/m0/s1
SMILES: CC1=CC=C(C=C1)NC2=C([C@H]([C@H]([C@@](C2)(C)O)C(=O)C)C3=CC=C(C=C3)Cl)C(=O)C
InChI: InChI=1S/C24H26ClNO3/c1-14-5-11-19(12-6-14)26-20-13-24(4,29)23(16(3)28)22(21(20)15(2)27)17-7-9-18(25)10-8-17/h5-12,22-23,26,29H,13H2,1-4H3/t22-,23-,24+/m1/s1
SMILES: C[C@@]12CCCC([C@H]1CCC34[C@]2(C(=O)[C@@H]([C@@](C3)([C@](C4)(C=O)O)O)O)O)(C)C
InChI: InChI=1S/C20H30O6/c1-15(2)6-4-7-16(3)12(15)5-8-17-9-18(24,11-21)19(25,10-17)13(22)14(23)20(16,17)26/h11-13,22,24-26H,4-10H2,1-3H3/t12-,13+,16-,17?,18+,19+,20-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](N=C(O2)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)(C)O
InChI: InChI=1S/C37H66N2O12/c1-14-25-37(10,44)31-22(6)38-32(50-31)18(2)16-35(8,43)30(51-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(42)48-25)49-26-17-36(9,45-13)29(41)23(7)47-26/h18-31,34,40-41,43-44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,34+,35-,36-,37-/m1/s1
SMILES: C[C@H]1C=CC2C[C@H](C[C@@H](C2[C@H]1CO[Si](C)(C)C(C)(C)C)O)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C34H52O3Si2/c1-25-20-21-26-22-27(23-31(35)32(26)30(25)24-36-38(8,9)33(2,3)4)37-39(34(5,6)7,28-16-12-10-13-17-28)29-18-14-11-15-19-29/h10-21,25-27,30-32,35H,22-24H2,1-9H3/t25-,26?,27+,30-,31-,32?/m0/s1
SMILES: C1[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)OCCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)O)OCC6=CC=CC=C6)OC(O1)C7=CC=CC=C7
InChI: InChI=1S/C36H35NO8S/c38-32-34(42-23-25-12-4-1-5-13-25)33-31(24-43-35(45-33)26-14-6-2-7-15-26)44-36(32)41-21-20-27-22-37(30-19-11-10-18-29(27)30)46(39,40)28-16-8-3-9-17-28/h1-19,22,31-36,38H,20-21,23-24H2/t31-,32+,33-,34-,35?,36-/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@H](C[C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C19H34O15/c1-29-18-15(28)16(34-17-7(23)2-6(22)8(3-20)31-17)12(25)10(33-18)5-30-19-14(27)13(26)11(24)9(4-21)32-19/h6-28H,2-5H2,1H3/t6-,7-,8+,9+,10+,11+,12+,13-,14-,15-,16-,17+,18-,19-/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C25H41NO2/c1-19(2)24-10-9-20(3)15-25(24)28-18-23(27)17-26-13-11-22(12-14-26)16-21-7-5-4-6-8-21/h4-8,19-20,22-25,27H,9-18H2,1-3H3/p+1/t20-,23+,24-,25+/m0/s1
SMILES: CCCCN1C(=C(C(=N1)C)C(=O)NNC(=S)N[C@@H]2CCC[C@@H]([C@@H]2C)C)Cl
InChI: InChI=1S/C18H30ClN5OS/c1-5-6-10-24-16(19)15(13(4)23-24)17(25)21-22-18(26)20-14-9-7-8-11(2)12(14)3/h11-12,14H,5-10H2,1-4H3,(H,21,25)(H2,20,22,26)/t11-,12-,14+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CCC(=C)[C@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)C
InChI: InChI=1S/C26H32O5/c1-16-6-10-22-25(3,4)23(30-17(2)27)12-13-26(22,5)20(16)15-29-19-9-7-18-8-11-24(28)31-21(18)14-19/h7-9,11,14,20,22-23H,1,6,10,12-13,15H2,2-5H3/t20-,22+,23+,26-/m1/s1
SMILES: CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](S3)C(=O)N4CCC(CC4)CC5=CC=CC=C5)O)O
InChI: InChI=1S/C23H27ClN6O3S/c1-25-19-15-20(28-23(24)27-19)30(12-26-15)22-17(32)16(31)18(34-22)21(33)29-9-7-14(8-10-29)11-13-5-3-2-4-6-13/h2-6,12,14,16-18,22,31-32H,7-11H2,1H3,(H,25,27,28)/t16-,17+,18-,22+/m0/s1
SMILES: CC1=C[C@]2([C@@H](CC[C@H](O2)C[C@@]3(C(=O)O[C@@]4(CCC[C@@H](O4)C5=CC=CC=C5)[C@@]6(O3)CCC[C@H](O6)C7=CC=CC=C7)C)OCC8=CC=CC=C8)O[C@@H](C1)[C@H](C)CS(=O)(=O)C9=NC1=CC=CC=C1S9
InChI: InChI=1S/C53H59NO10S2/c1-36-31-45(37(2)35-66(56,57)49-54-42-23-13-14-26-46(42)65-49)60-51(32-36)47(58-34-38-17-7-4-8-18-38)28-27-41(59-51)33-50(3)48(55)63-52(29-15-24-43(61-52)39-19-9-5-10-20-39)53(64-50)30-16-25-44(62-53)40-21-11-6-12-22-40/h4-14,17-23,26,32,37,41,43-45,47H,15-16,24-25,27-31,33-35H2,1-3H3/t37-,41+,43-,44+,45+,47-,50-,51-,52+,53+/m1/s1
SMILES: CCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C)O
InChI: InChI=1S/C25H32O12/c1-7-8-17-9-18(31)21(12(2)26)19(10-17)36-25-24(35-16(6)30)23(34-15(5)29)22(33-14(4)28)20(37-25)11-32-13(3)27/h9-10,20,22-25,31H,7-8,11H2,1-6H3/t20-,22-,23+,24-,25-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@]2(C)O)CCC4=C/C(=N\OCC(=O)[O-])/C=C[C@]34C
InChI: InChI=1S/C22H31NO4/c1-20-9-6-15(23-27-13-19(24)25)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,3)26/h6,9,12,16-18,26H,4-5,7-8,10-11,13H2,1-3H3,(H,24,25)/p-1/b23-15-/t16-,17+,18-,20-,21-,22-/m0/s1
SMILES: CC(C)[C@@H]1CC[C@]2([C@H]1CC(=O)C[C@H]2CCC3OCCO3)C
InChI: InChI=1S/C18H30O3/c1-12(2)15-6-7-18(3)13(10-14(19)11-16(15)18)4-5-17-20-8-9-21-17/h12-13,15-17H,4-11H2,1-3H3/t13-,15+,16+,18-/m1/s1
SMILES: C1[C@@H](C(=O)N([C@H]1CC2=CC=CC=C2)C[C@H](C[C@H](CC3=CC=C(C=C3)OCC(=O)N)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)CC6=CC=CC=C6
InChI: InChI=1S/C41H45N3O6/c42-38(47)26-50-35-17-15-29(16-18-35)19-31(40(48)43-39-36-14-8-7-13-30(36)24-37(39)46)23-34(45)25-44-33(21-28-11-5-2-6-12-28)22-32(41(44)49)20-27-9-3-1-4-10-27/h1-18,31-34,37,39,45-46H,19-26H2,(H2,42,47)(H,43,48)/t31-,32-,33-,34-,37+,39-/m0/s1
SMILES: C[C@H]1[13CH2]C/C=C(/[13C@H](/C=C/[C@@](/[13CH]=C/C(=O)O[C@@H]1C)(C)O)OC)\C
InChI: InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1/i7+1,12+1,16+1
SMILES: CC1=CC2=C(C=C1Cl)[C@H](CC23CCN(CC3)C(=O)[C@@H]4CN(C[C@H]4C5=C(C=C(C=C5)F)F)C(C)(C)C)C(C)(C)NC(=O)C
InChI: InChI=1S/C34H44ClF2N3O2/c1-20-14-27-24(16-29(20)35)28(33(6,7)38-21(2)41)17-34(27)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m0/s1
SMILES: CCS[C@@]12[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@@](O1)(C5=C2C=CS5)C6=CC=CC=C6
InChI: InChI=1S/C24H19NO3S2/c1-2-30-24-17-13-14-29-20(17)23(28-24,15-9-5-3-6-10-15)18-19(24)22(27)25(21(18)26)16-11-7-4-8-12-16/h3-14,18-19H,2H2,1H3/t18-,19+,23+,24-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC=NC=C3
InChI: InChI=1S/C17H19N3O3/c21-15(19-12-7-9-18-10-8-12)6-3-11-20-16(22)13-4-1-2-5-14(13)17(20)23/h1-2,7-10,13-14H,3-6,11H2,(H,18,19,21)/t13-,14-/m1/s1
SMILES: C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@@H]4[C@H](C3=O)C5(C(=O)C6=CC=CC=C6C5=O)O[C@@H]4C7=CC=C(C=C7)F
InChI: InChI=1S/C27H16FNO7/c28-14-7-5-13(6-8-14)22-20-21(27(36-22)23(30)16-3-1-2-4-17(16)24(27)31)26(33)29(25(20)32)15-9-10-18-19(11-15)35-12-34-18/h1-11,20-22H,12H2/t20-,21-,22-/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCCC(=O)O)Br
InChI: InChI=1S/C37H30BrCl2F3N4O8/c1-55-26-13-18(38)12-23(30(26)50)29-20-8-9-21-28(34(53)46(32(21)51)10-2-3-27(48)49)22(20)14-24-33(52)47(35(54)36(24,29)16-4-6-19(39)7-5-16)45-31-25(40)11-17(15-44-31)37(41,42)43/h4-8,11-13,15,21-22,24,28-29,50H,2-3,9-10,14H2,1H3,(H,44,45)(H,48,49)/t21-,22+,24-,28-,29+,36+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@@]34C
InChI: InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18+,19+,20-,24-,25+/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC3=NC=CC(=N3)C4=CC=CS4)[NH2+]CC5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C27H26N4O2S/c1-2-5-19(6-3-1)20-10-8-18(9-11-20)15-29-22-16-32-26-23(17-33-25(22)26)31-27-28-13-12-21(30-27)24-7-4-14-34-24/h1-14,22-23,25-26,29H,15-17H2,(H,28,30,31)/p+1/t22-,23-,25+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2[C@]3(O2)C[C@H](O[C@H]4[C@H]3OC(OC4)C5=CC=CC=C5)OC
InChI: InChI=1S/C22H24O7S/c1-14-8-10-16(11-9-14)30(23,24)21-22(29-21)12-18(25-2)27-17-13-26-20(28-19(17)22)15-6-4-3-5-7-15/h3-11,17-21H,12-13H2,1-2H3/t17-,18+,19-,20?,21?,22+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(C(=N)C2C#N)(C#N)C#N)C(=O)OC)OC
InChI: InChI=1S/C23H23N5O4/c1-4-32-18-6-5-14(9-19(18)30-2)20-15(10-24)21(27)23(12-25,13-26)17-7-8-28(11-16(17)20)22(29)31-3/h5-7,9,15-16,20,27H,4,8,11H2,1-3H3/t15?,16-,20-/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H](CN3CC[C@H]([C@H](C3)F)NCC4=CC5=C(N=C4)SCC(=O)N5)O
InChI: InChI=1S/C25H28FN5O3S/c1-34-16-2-3-20-18(9-16)17(4-6-27-20)23(32)13-31-7-5-21(19(26)12-31)28-10-15-8-22-25(29-11-15)35-14-24(33)30-22/h2-4,6,8-9,11,19,21,23,28,32H,5,7,10,12-14H2,1H3,(H,30,33)/t19-,21+,23-/m0/s1
SMILES: C1[C@@H](C([C@@H]1O[C@H]2[C@@H]([C@@H]([C@@H](CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)(Cl)Cl)O
InChI: InChI=1S/C30H26Cl2O9/c31-30(32)22(33)16-23(30)39-29-25(41-28(36)20-14-8-3-9-15-20)24(40-27(35)19-12-6-2-7-13-19)21(17-37-29)38-26(34)18-10-4-1-5-11-18/h1-15,21-25,29,33H,16-17H2/t21-,22+,23-,24-,25-,29+/m1/s1
SMILES: CC(C(=O)OC)NC(C[C@H]1C(=C)CCC2[C@@]1(CC[C@H]([C@@]2(C)COC(=O)C)OC(=O)C)C)C3=CCOC3=O
InChI: InChI=1S/C28H41NO8/c1-16-8-9-23-27(5,12-10-24(37-19(4)31)28(23,6)15-36-18(3)30)21(16)14-22(20-11-13-35-26(20)33)29-17(2)25(32)34-7/h11,17,21-24,29H,1,8-10,12-15H2,2-7H3/t17?,21-,22?,23?,24+,27+,28-/m0/s1
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)CC([C@@H](C3=CC=CC=C3)O)C(=O)OC
InChI: InChI=1S/C24H31NO4/c1-17-15-25(13-12-24(17,2)19-10-7-11-20(26)14-19)16-21(23(28)29-3)22(27)18-8-5-4-6-9-18/h4-11,14,17,21-22,26-27H,12-13,15-16H2,1-3H3/t17-,21?,22+,24+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)NC(=O)C4=NC=CN=C4)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C19H23N5O5S/c1-8-14-13(9(2)25)18(27)24(14)15(19(28)29)16(8)30-10-5-12(22-6-10)23-17(26)11-7-20-3-4-21-11/h3-4,7-10,12-14,22,25H,5-6H2,1-2H3,(H,23,26)(H,28,29)/t8-,9-,10+,12-,13-,14-/m1/s1
SMILES: C[C@]12CCC(=O)C([C@@H]1C=C[C@H]3[C@@H]2CC[C@H]4[C@@H]3OC(OC4)(C)C)(C)C
InChI: InChI=1S/C21H32O3/c1-19(2)16-9-7-14-15(21(16,5)11-10-17(19)22)8-6-13-12-23-20(3,4)24-18(13)14/h7,9,13-16,18H,6,8,10-12H2,1-5H3/t13-,14+,15+,16+,18+,21-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@H](CCCOC(=O)C(C)(C)C)O)OCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C24H36O8/c1-23(2,3)22(26)28-13-7-8-17(25)18-19-20(32-24(4,5)31-19)21(30-18)29-14-15-9-11-16(27-6)12-10-15/h9-12,17-21,25H,7-8,13-14H2,1-6H3/t17-,18+,19-,20-,21-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)OCOC
InChI: InChI=1S/C31H54O4/c1-18(2)19(3)27(32)28(35-17-33-7)20(4)23-9-10-24-22-15-26(34-8)31-16-21(31)11-14-30(31,6)25(22)12-13-29(23,24)5/h18-28,32H,9-17H2,1-8H3/t19-,20-,21-,22-,23+,24-,25-,26+,27+,28+,29+,30+,31-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3(C2CC6=C4C(=CC=C6)O5)NC(=O)/C=C/C7=CC=C(C=C7)Cl
InChI: InChI=1S/C29H29ClN2O3/c30-21-9-6-18(7-10-21)8-11-25(34)31-29-13-12-22(33)27-28(29)14-15-32(17-19-4-5-19)24(29)16-20-2-1-3-23(35-27)26(20)28/h1-3,6-11,19,24,27H,4-5,12-17H2,(H,31,34)/b11-8+/t24?,27-,28-,29+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC(C)(C)C(=O)NC(=O)N)/C3=CC=CS3)SC1)C(=O)O
InChI: InChI=1S/C21H23N5O9S2/c1-9(27)34-7-10-8-37-17-13(16(29)26(17)14(10)18(30)31)23-15(28)12(11-5-4-6-36-11)25-35-21(2,3)19(32)24-20(22)33/h4-6,13,17H,7-8H2,1-3H3,(H,23,28)(H,30,31)(H3,22,24,32,33)/b25-12-/t13-,17-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2[NH+]3CCN(CC3)C(=O)COC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C23H28N2O2/c26-23(16-27-21-8-7-18-3-1-2-4-19(18)15-21)25-11-9-24(10-12-25)22-14-17-5-6-20(22)13-17/h1-4,7-8,15,17,20,22H,5-6,9-14,16H2/p+1/t17-,20+,22+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2CN([C@]3([C@]24CCC5=CC=CC=C5C4=O)C6=CC=CC=C6NC3=O)C
InChI: InChI=1S/C28H26N2O2/c1-18-11-13-20(14-12-18)23-17-30(2)28(22-9-5-6-10-24(22)29-26(28)32)27(23)16-15-19-7-3-4-8-21(19)25(27)31/h3-14,23H,15-17H2,1-2H3,(H,29,32)/t23-,27+,28+/m0/s1
SMILES: CC[C@@H]1[C@H](C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=CC1=N2)N6)C)C(=O)[C@]5(C(=O)OC)O)CCC(=O)OC)C)C)C(=O)C)C
InChI: InChI=1S/C36H40N4O7/c1-9-20-15(2)22-14-27-29(19(6)41)17(4)24(38-27)12-23-16(3)21(10-11-28(42)46-7)32(39-23)31-33-30(34(43)36(31,45)35(44)47-8)18(5)25(40-33)13-26(20)37-22/h12-16,20-21,38,40,45H,9-11H2,1-8H3/t15-,16+,20-,21+,36-/m1/s1