EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(/C=C\C(=O)O1)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)OC)O)CC(OC)OC)C)C)CO[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
InChI: InChI=1S/C41H69NO16/c1-13-28-26(20-53-40-37(51-11)36(50-10)33(46)24(5)55-40)38-41(6,58-38)17-16-27(43)22(3)18-25(19-30(48-8)49-9)35(21(2)14-15-29(44)56-28)57-39-34(47)31(42(7)52-12)32(45)23(4)54-39/h14-17,21-26,28,30-40,45-47H,13,18-20H2,1-12H3/b15-14-,17-16+/t21?,22?,23-,24-,25?,26?,28?,31+,32-,33-,34-,35?,36-,37+,38?,39+,40-,41?/m1/s1
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O
InChI: InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-8-14(7-17(30)11-18)2-1-13-3-5-16(29)6-4-13/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@@H]4C(=CCN5N4C(=O)N(C5=O)C6=CC=CC=C6)[C@@H]([C@@]3(C2=O)C7=CC=CC=C7)C8=C(C=C(C=C8)O)Cl
InChI: InChI=1S/C37H30ClN5O5/c1-22-12-14-24(15-13-22)39-42-33(45)29-21-31-28(18-19-40-35(47)41(36(48)43(31)40)25-10-6-3-7-11-25)32(27-17-16-26(44)20-30(27)38)37(29,34(42)46)23-8-4-2-5-9-23/h2-18,20,29,31-32,39,44H,19,21H2,1H3/t29-,31+,32-,37+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4
InChI: InChI=1S/C22H33N3O3S/c26-22(24-11-10-20-8-4-5-9-21(20)16-24)17-23-12-14-25(15-13-23)29(27,28)18-19-6-2-1-3-7-19/h1-3,6-7,20-21H,4-5,8-18H2/p+1/t20-,21-/m0/s1
SMILES: CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C21H32N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h11,13,17-19,24-25H,2-10,12,14H2,1H3/t17-,18+,19+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C)CCN5C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C40H59NO4Si2/c1-38(2,3)46(8,9)44-28-17-19-29-26(24-28)16-18-32-33-20-21-34(45-47(10,11)39(4,5)6)40(33,7)25-27(35(29)32)22-23-41-36(42)30-14-12-13-15-31(30)37(41)43/h12-15,17,19,24,27,32-35H,16,18,20-23,25H2,1-11H3/t27-,32-,33-,34-,35+,40-/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H12ClN/c15-12-5-3-9(4-6-12)14-11-2-1-10(7-11)13(14)8-16/h1-6,10-11,13-14H,7H2/t10-,11+,13-,14+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O
InChI: InChI=1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1
SMILES: C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C19H25N3O5S/c1-21-10-12-22(13-11-21)28(26,27)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19(24)25/h2-3,6-9,16-17H,4-5,10-13H2,1H3,(H,20,23)(H,24,25)/t16-,17+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C[C@H]([C@@H]([C@H]([C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)Cl)OCOC)O)C(=O)OC)O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C30H59ClO11Si2/c1-28(2,3)43(11,12)38-16-18(31)23(37-17-35-9)22(33)21(26(34)36-10)19(32)15-20-24(42-44(13,14)29(4,5)6)25-27(39-20)41-30(7,8)40-25/h18-25,27,32-33H,15-17H2,1-14H3/t18-,19-,20-,21+,22-,23-,24+,25-,27-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C46H57N3O10S/c1-5-24-48(45(52)58-34-16-14-32(15-17-34)49(53)54)42-30-40(47-56-7-3)38-28-31(12-8-10-25-50)37(13-9-11-26-51)43-39-29-35(57-33-18-21-36(60-4)22-19-33)20-23-41(39)59-46(42,44(38)43)55-27-6-2/h6,14-23,28-29,31,37,42-44,50-51H,2,5,7-13,24-27,30H2,1,3-4H3/t31-,37+,42-,43+,44+,46+/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C(=O)N
InChI: InChI=1S/C34H28ClFN4O7/c1-47-26-14-20(41)10-11-22(26)28-21-12-13-23-27(31(44)39(29(23)42)33(37)46)24(21)15-25-30(43)40(38-19-8-6-18(36)7-9-19)32(45)34(25,28)16-2-4-17(35)5-3-16/h2-12,14,23-25,27-28,38,41H,13,15H2,1H3,(H2,37,46)/t23-,24+,25-,27-,28+,34+/m0/s1
SMILES: C1CNC[C@@H]([C@]1(C2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)C#N)OCC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C26H23Cl3N2O2/c27-22-8-6-21(7-9-22)26(33-17-19-3-1-18(14-30)2-4-19)11-12-31-15-25(26)32-16-20-5-10-23(28)24(29)13-20/h1-10,13,25,31H,11-12,15-17H2/t25-,26-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@H]3[C@@]1(CC2(C)C)C(=C)[C@H](C3)O
InChI: InChI=1S/C15H24O/c1-9-5-6-11-12-7-13(16)10(2)15(9,12)8-14(11,3)4/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,15+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](C=C([C@H]1OCOCC[Si](C)(C)C)C(=O)OC)OC3(O2)CCCCC3
InChI: InChI=1S/C22H36O8Si/c1-15(23)28-20-18(27-14-26-11-12-31(3,4)5)16(21(24)25-2)13-17-19(20)30-22(29-17)9-7-6-8-10-22/h13,17-20H,6-12,14H2,1-5H3/t17-,18-,19-,20-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CN=CC=C3)CO)O
InChI: InChI=1S/C15H16N4O5/c20-8-11-10(21)6-13(24-11)19-5-3-12(18-15(19)23)17-14(22)9-2-1-4-16-7-9/h1-5,7,10-11,13,20-21H,6,8H2,(H,17,18,22,23)/t10-,11+,13+/m0/s1
SMILES: C[C@@H]1C[C@]([C@@H](CN1C(C)C)C)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C23H29NO2/c1-17(2)24-16-18(3)23(15-19(24)4,21-13-9-6-10-14-21)26-22(25)20-11-7-5-8-12-20/h5-14,17-19H,15-16H2,1-4H3/t18-,19-,23+/m1/s1
SMILES: CC1(OC[C@@H](O1)CN(CC2=CNC3=C2C=C(C=C3)F)C(=O)[C@H]4C[C@H]4C5=CC=CC=C5)C
InChI: InChI=1S/C25H27FN2O3/c1-25(2)30-15-19(31-25)14-28(13-17-12-27-23-9-8-18(26)10-21(17)23)24(29)22-11-20(22)16-6-4-3-5-7-16/h3-10,12,19-20,22,27H,11,13-15H2,1-2H3/t19-,20-,22-/m0/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C[C@H](COC4=CC=CC=C4)O)C(=O)[O-]
InChI: InChI=1S/C18H19NO6/c20-11(9-24-12-4-2-1-3-5-12)8-19-10-18-7-6-13(25-18)14(17(22)23)15(18)16(19)21/h1-7,11,13-15,20H,8-10H2,(H,22,23)/p-1/t11-,13-,14+,15-,18-/m1/s1
SMILES: C[C@@H]1[C@@H](CO[C@@H](O1)CC2OCCO2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H21NO5/c1-11-13(17-16(18)12-5-3-2-4-6-12)10-21-15(22-11)9-14-19-7-8-20-14/h2-6,11,13-15H,7-10H2,1H3,(H,17,18)/t11-,13-,15+/m1/s1
SMILES: CC(C)CC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C18H24N2O5S2/c1-11(2)7-17(21)19-18-20(14-9-27(22,23)10-16(14)26-18)13-8-12(24-3)5-6-15(13)25-4/h5-6,8,11,14,16H,7,9-10H2,1-4H3/t14-,16+/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H](/C(=C\C4=CC=C(C=C4)O)/C(=O)O3)[C@@](O2)([C@H](O1)O)O
InChI: InChI=1S/C15H14O7/c16-8-3-1-7(2-4-8)5-9-11-12(21-13(9)17)10-6-20-14(18)15(11,19)22-10/h1-5,10-12,14,16,18-19H,6H2/b9-5+/t10-,11-,12-,14+,15-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5C
InChI: InChI=1S/C26H24N2O3/c1-3-18-13-15-19(16-14-18)27-25(29)22-23(21-12-8-7-9-17(21)2)28(31-24(22)26(27)30)20-10-5-4-6-11-20/h4-16,22-24H,3H2,1-2H3/t22-,23+,24-/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H](OC2=C1C=C(C=C2OC)/C=C/CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C(=C)CCO)O)O)O)C4=CC(=C(C(=C4)OC)OC)OC
InChI: InChI=1S/C35H44O15/c1-18(9-10-36)34(41)48-17-27-28(38)29(39)30(40)35(49-27)46-11-7-8-20-12-22-23(16-47-19(2)37)31(50-32(22)24(13-20)42-3)21-14-25(43-4)33(45-6)26(15-21)44-5/h7-8,12-15,23,27-31,35-36,38-40H,1,9-11,16-17H2,2-6H3/b8-7+/t23-,27-,28-,29+,30-,31+,35-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@H]4[C@]1([C@@H]5[C@@H]([C@H](C4)O)[C@@](O[C@H]5OC)(C)OC)C)C)(C)C)C
InChI: InChI=1S/C30H50O6/c1-17(31)35-22-16-20-27(4)13-10-12-26(2,3)19(27)11-14-28(20,5)21-15-18(32)23-24(29(21,22)6)25(33-8)36-30(23,7)34-9/h18-25,32H,10-16H2,1-9H3/t18-,19-,20+,21-,22-,23+,24+,25+,27-,28+,29+,30-/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C23H33NO6/c1-13(2)29-21(26)19-17(25)12-23(5,28)20(22(27)30-14(3)4)18(19)15-8-10-16(11-9-15)24(6)7/h8-11,13-14,18-20,28H,12H2,1-7H3/t18-,19+,20+,23-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C53H52N4O11/c1-64-32-33-67-52(63)56-42-24-19-35(12-10-11-27-58)34-41(42)53(51(56)62)44(49(60)54-38-20-22-39(23-21-38)55-25-29-65-30-26-55)46-50(61)68-47(37-15-6-3-7-16-37)45(36-13-4-2-5-14-36)57(46)48(53)40-17-8-9-18-43(40)66-31-28-59/h2-9,13-24,34,44-48,58-59H,11,25-33H2,1H3,(H,54,60)/t44-,45-,46-,47+,48+,53-/m1/s1
SMILES: C[C@H](CCC=C1CC1)[C@H]2CC[C@@]3([C@@]2(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
InChI: InChI=1S/C30H48O/c1-20(8-7-9-21-10-11-21)22-14-18-30(6)24-12-13-25-27(2,3)26(31)16-17-28(25,4)23(24)15-19-29(22,30)5/h9,20,22,25-26,31H,7-8,10-19H2,1-6H3/t20-,22-,25?,26+,28-,29-,30+/m1/s1
SMILES: CC1([C@@H]([C@@H](C2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)O)O)C
InChI: InChI=1S/C23H24O9/c1-22(2)21(26)18(24)17-12(32-22)6-5-10-19(17)31-16-9-30-13-8-15(29-4)14(28-3)7-11(13)23(16,27)20(10)25/h5-8,16,18,21,24,26-27H,9H2,1-4H3/t16-,18-,21-,23-/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(C[C@H]4CCCO4)C(=O)C5CCCC5)C(=O)NCCO)C=O
InChI: InChI=1S/C28H36N2O8/c1-36-22-12-16(15-32)11-19-23-20(27(34)29-8-9-31)13-21(24(33)26(23)38-25(19)22)30(14-18-7-4-10-37-18)28(35)17-5-2-3-6-17/h11-13,15,17-18,21,23-24,26,31,33H,2-10,14H2,1H3,(H,29,34)/t18-,21-,23+,24+,26+/m1/s1
SMILES: CC(C)(C)[C@H]1[C@@H](C(=O)N(C1=O)C2=CC=CC=C2)CC(=O)OC
InChI: InChI=1S/C17H21NO4/c1-17(2,3)14-12(10-13(19)22-4)15(20)18(16(14)21)11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3/t12-,14-/m0/s1
SMILES: C=CC[C@]12[C@H](CO[C@@H]1C3=CC=CC=C3)CON2C(=O)C[N+](=O)[O-]
InChI: InChI=1S/C16H18N2O5/c1-2-8-16-13(11-23-18(16)14(19)9-17(20)21)10-22-15(16)12-6-4-3-5-7-12/h2-7,13,15H,1,8-11H2/t13-,15-,16+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O
InChI: InChI=1S/C42H44N2O21/c1-15-29(47)20(44-40(57)61-14-16-6-8-17(9-7-16)43-41(58)65-39-36(54)34(52)35(53)37(64-39)38(55)56)10-24(62-15)63-22-12-42(59,23(46)13-45)11-19-26(22)33(51)28-27(31(19)49)30(48)18-4-3-5-21(60-2)25(18)32(28)50/h3-9,15,20,22,24,29,34-37,39,45,47,49,51-54,59H,10-14H2,1-2H3,(H,43,58)(H,44,57)(H,55,56)/t15-,20-,22-,24-,29+,34-,35-,36+,37-,39-,42-/m0/s1
SMILES: CN1C2=CC=CC=C2[C@@]3(C1=O)[C@@H]4CCCC=C4C(=C(C3(C#N)C#N)N)C#N
InChI: InChI=1S/C21H17N5O/c1-26-17-9-5-4-8-16(17)21(19(26)27)15-7-3-2-6-13(15)14(10-22)18(25)20(21,11-23)12-24/h4-6,8-9,15H,2-3,7,25H2,1H3/t15-,21-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OC)[S@@](=O)/N=C/C3=CC=CC=C3
InChI: InChI=1S/C18H25NO2S/c1-17(2)14-10-11-18(17,3)16(21-4)15(14)22(20)19-12-13-8-6-5-7-9-13/h5-9,12,14-16H,10-11H2,1-4H3/b19-12+/t14-,15-,16-,18+,22-/m1/s1
SMILES: CCN(CC)CC.CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)COP(=O)(CC(=O)C5=CC=CC=C5O)O)C
InChI: InChI=1S/C21H24N5O8P.C6H15N/c1-21(2)33-16-14(7-31-35(29,30)8-13(28)11-5-3-4-6-12(11)27)32-20(17(16)34-21)26-10-25-15-18(22)23-9-24-19(15)26;1-4-7(5-2)6-3/h3-6,9-10,14,16-17,20,27H,7-8H2,1-2H3,(H,29,30)(H2,22,23,24);4-6H2,1-3H3/t14-,16-,17-,20-;/m1./s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C19H28N2O3/c1-13-6-5-7-17(14(13)2)20-18(22)12-24-19(23)15-8-10-16(11-9-15)21(3)4/h8-11,13-14,17H,5-7,12H2,1-4H3,(H,20,22)/t13-,14-,17-/m0/s1
SMILES: C[C@@H]1[C@@H](C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC4=COC=C4)O
InChI: InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19+,20-/m1/s1
SMILES: CC1(CC2=N[C@@]3(C4=CC=CC=C4C(=O)[C@]3(C2C(=O)C1)O)O)C
InChI: InChI=1S/C17H17NO4/c1-15(2)7-11-13(12(19)8-15)16(21)14(20)9-5-3-4-6-10(9)17(16,22)18-11/h3-6,13,21-22H,7-8H2,1-2H3/t13?,16-,17-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)NC3=C(C=C(C=C3)F)F
InChI: InChI=1S/C16H14F2N2O3/c17-9-5-6-13(12(18)7-9)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-2,5-7,10-11H,3-4,8H2,(H,19,21)/t10-,11-/m0/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(=O)O)C
InChI: InChI=1S/C17H21NO4/c1-10-8-14(15(17(20)21)9-11(10)2)16(19)18-12-4-6-13(22-3)7-5-12/h4-7,14-15H,8-9H2,1-3H3,(H,18,19)(H,20,21)/t14-,15-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C43H35NO7/c1-23-18-27(19-24(2)38(23)46)37-30-16-17-31-36(41(49)44(40(31)48)29-15-9-12-26(20-29)42(50)51)33(30)21-34-39(47)32(25-10-5-3-6-11-25)22-35(45)43(34,37)28-13-7-4-8-14-28/h3-16,18-20,22,31,33-34,36-37,46H,17,21H2,1-2H3,(H,50,51)/t31-,33+,34-,36-,37-,43-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)CCNC(=O)[C@@H]2CC(=CC[C@@H]2C(=O)O)C)OCC
InChI: InChI=1S/C21H29NO5/c1-4-26-18-9-7-15(13-19(18)27-5-2)10-11-22-20(23)17-12-14(3)6-8-16(17)21(24)25/h6-7,9,13,16-17H,4-5,8,10-12H2,1-3H3,(H,22,23)(H,24,25)/t16-,17+/m0/s1
SMILES: C[C@@]1([C@](N(C(=O)O1)CC2=CC=CC=N2)(C)O)CC3=CC=CC=C3
InChI: InChI=1S/C18H20N2O3/c1-17(12-14-8-4-3-5-9-14)18(2,22)20(16(21)23-17)13-15-10-6-7-11-19-15/h3-11,22H,12-13H2,1-2H3/t17-,18-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H]([C@H](CCO2)CCN3CCCCC3)C4=CC=CC=C4.Cl
InChI: InChI=1S/C28H33F6NO2.ClH/c1-19(22-16-23(27(29,30)31)18-24(17-22)28(32,33)34)37-26-25(20-8-4-2-5-9-20)21(11-15-36-26)10-14-35-12-6-3-7-13-35;/h2,4-5,8-9,16-19,21,25-26H,3,6-7,10-15H2,1H3;1H/t19-,21+,25-,26-;/m1./s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C(C=CC(=C23)Cl)C(F)(F)F)C(=O)O
InChI: InChI=1S/C14H11ClF3NO2/c15-9-5-4-8(14(16,17)18)12-10(9)6-2-1-3-7(6)11(19-12)13(20)21/h1-2,4-7,11,19H,3H2,(H,20,21)/t6-,7-,11+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2NC(=O)CSC3=NN=C(O3)C4=CC=NC=C4
InChI: InChI=1S/C16H18N4O2S/c21-14(18-13-8-10-1-2-12(13)7-10)9-23-16-20-19-15(22-16)11-3-5-17-6-4-11/h3-6,10,12-13H,1-2,7-9H2,(H,18,21)/t10-,12+,13+/m0/s1
SMILES: CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H23N3O4S/c1-13-6-8-14(9-7-13)22-21-23-15(12-29-21)11-28-18(25)10-24-19(26)16-4-2-3-5-17(16)20(24)27/h6-9,12,16-17H,2-5,10-11H2,1H3,(H,22,23)/t16-,17+
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)NC(=O)C5=CC(=C(C=C5)Cl)Cl
InChI: InChI=1S/C18H14Cl2N2O3/c19-12-4-1-7(5-13(12)20)16(23)21-22-17(24)14-8-2-3-9(11-6-10(8)11)15(14)18(22)25/h1-5,8-11,14-15H,6H2,(H,21,23)/t8-,9+,10+,11-,14+,15-
SMILES: CCNC(=O)NCC1=CC(=CC=C1)C2=CC(=CC=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C36H38N6O5S/c1-3-37-35(45)38-20-25-6-4-7-27(18-25)28-8-5-9-29(19-28)34-46-32(23(2)33(47-34)26-12-10-24(21-43)11-13-26)22-48-36-39-40-41-42(36)30-14-16-31(44)17-15-30/h4-19,23,32-34,43-44H,3,20-22H2,1-2H3,(H2,37,38,45)/t23-,32+,33+,34+/m1/s1
SMILES: COC(=O)COCC(=C)C1=C[C@H]2C[C@H]([C@@H]([C@H]2C1)/C=C/[C@H](C3CCCC3)O)O
InChI: InChI=1S/C22H32O5/c1-14(12-27-13-22(25)26-2)16-9-17-11-21(24)18(19(17)10-16)7-8-20(23)15-5-3-4-6-15/h7-9,15,17-21,23-24H,1,3-6,10-13H2,2H3/b8-7+/t17-,18+,19-,20+,21+/m0/s1
SMILES: C[C@@H]1CCC2[C@H](C(OC3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OCCCN[C]5[CH][CH][CH][CH]5)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C23H34NO5.C5H5.Fe/c1-15-9-10-19-16(2)20(25-14-6-13-24-17-7-4-5-8-17)26-21-23(19)18(15)11-12-22(3,27-21)28-29-23;1-2-4-5-3-1;/h4-5,7-8,15-16,18-21,24H,6,9-14H2,1-3H3;1-5H;/q;;+2/t15-,16-,18+,19?,20?,21?,22+,23-;;/m1../s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=C(C=C(C=C2)F)F
InChI: InChI=1S/C17H23F2NOS/c1-10-5-4-6-15(11(10)2)20-17(21)12(3)22-16-8-7-13(18)9-14(16)19/h7-12,15H,4-6H2,1-3H3,(H,20,21)/t10-,11-,12-,15+/m1/s1
SMILES: C[C@@H]1[C@H](C/C(=C/C=C/2\CCC[C@]3(C2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O
InChI: InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20-,23-,24?,25+,26-,28-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)C3=CC=C(S3)Cl
InChI: InChI=1S/C14H14ClNO3S/c15-12-6-5-11(20-12)10(17)7-16-13(18)8-3-1-2-4-9(8)14(16)19/h5-6,8-9H,1-4,7H2/t8-,9+
SMILES: C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O
InChI: InChI=1S/C19H25NO9/c21-14-13(29-18(25)16(23)15(14)22)10-27-17(24)12-7-4-8-20(12)19(26)28-9-11-5-2-1-3-6-11/h1-3,5-6,12-16,18,21-23,25H,4,7-10H2/t12-,13+,14+,15-,16+,18+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OCC(Cl)(Cl)Cl)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(O1)C5=CC=CC=C5
InChI: InChI=1S/C29H29Cl3O6/c30-29(31,32)19-36-28-26(34-17-21-12-6-2-7-13-21)25(33-16-20-10-4-1-5-11-20)24-23(37-28)18-35-27(38-24)22-14-8-3-9-15-22/h1-15,23-28H,16-19H2/t23-,24-,25+,26+,27?,28+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C8=CC=CC=C78)O)C(=O)N(C5=O)CCCC(=O)O
InChI: InChI=1S/C41H37N3O7/c1-23-13-15-25(16-14-23)42-44-38(49)32-22-31-29(17-18-30-35(31)39(50)43(37(30)48)21-7-12-34(46)47)36(41(32,40(44)51)24-8-3-2-4-9-24)28-19-20-33(45)27-11-6-5-10-26(27)28/h2-6,8-11,13-17,19-20,30-32,35-36,42,45H,7,12,18,21-22H2,1H3,(H,46,47)/t30-,31+,32-,35-,36-,41+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC[C@@H](C9=CC=CC=C9)O
InChI: InChI=1S/C58H58N4O10/c1-36(2)48(54(66)70-3)60-57(69)61-45-30-29-38(28-27-37-17-8-4-9-18-37)33-44(45)58(56(61)68)47(53(65)59-35-46(64)39-19-10-5-11-20-39)50-55(67)72-51(41-23-14-7-15-24-41)49(40-21-12-6-13-22-40)62(50)52(58)42-25-16-26-43(34-42)71-32-31-63/h5-7,10-17,19-26,29-30,33-34,36,46-52,63-64H,4,8-9,18,31-32,35H2,1-3H3,(H,59,65)(H,60,69)/t46-,47-,48-,49-,50-,51+,52+,58-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C(=CN2[C@@H]1C3=C(CC2)C4=CC=CC=C4N3)C(=O)OCC)C5=CC=CC=C5
InChI: InChI=1S/C27H28N2O4/c1-3-32-26(30)20-16-29-15-14-19-18-12-8-9-13-21(18)28-24(19)25(29)23(27(31)33-4-2)22(20)17-10-6-5-7-11-17/h5-13,16,22-23,25,28H,3-4,14-15H2,1-2H3/t22-,23-,25+/m1/s1
SMILES: CC1=NN(N=N1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)NC5CCC(CC5)N)NCC(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C32H39N11O2/c1-19-39-41-43(40-19)26-16-25(28(44)29(26)45)42-18-35-27-30(37-32(38-31(27)42)36-23-14-12-22(33)13-15-23)34-17-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,22-26,28-29,44-45H,12-17,33H2,1H3,(H2,34,36,37,38)/t22?,23?,25-,26+,28+,29-/m1/s1
SMILES: C[C@H]1[C@H]2CC[C@]3([C@@]2(CCC4=C3C=CC(=C4C)OC)C)O[C@]15[C@@H]([C@@H](C(O5)(C)C)C)O
InChI: InChI=1S/C25H36O4/c1-14-17-10-12-23(6)18-11-13-24(23,19(17)8-9-20(14)27-7)29-25(15(18)2)21(26)16(3)22(4,5)28-25/h8-9,15-16,18,21,26H,10-13H2,1-7H3/t15-,16-,18+,21+,23+,24-,25-/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@@H]([C@@H]4CCCC4=C2C1)C(=O)N(C3=O)C5=CC=CC=C5
InChI: InChI=1S/C20H21NO2/c22-19-17-15-10-4-8-13(15)14-9-5-11-16(14)18(17)20(23)21(19)12-6-2-1-3-7-12/h1-3,6-7,15-18H,4-5,8-11H2/t15-,16+,17-,18-/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)SCCC5=NC=CN=C5)OCC=C
InChI: InChI=1S/C37H50N4O7S/c1-4-19-46-37-33(49-20-14-26-24-38-15-16-40-26)23-31(41-45-3)29-21-25(10-6-8-17-42)28(11-7-9-18-43)34(35(29)37)30-22-27(12-13-32(30)48-37)47-36(44)39-5-2/h4,12-13,15-16,21-22,24-25,28,33-35,42-43H,1,5-11,14,17-20,23H2,2-3H3,(H,39,44)/t25-,28+,33-,34+,35+,37+/m0/s1
SMILES: CCN(CC)C(=O)[C@H]1[C@H]2C[C@@](N(C1=O)CCO)(OC3=CC=CC=C23)C
InChI: InChI=1S/C19H26N2O4/c1-4-20(5-2)17(23)16-14-12-19(3,21(10-11-22)18(16)24)25-15-9-7-6-8-13(14)15/h6-9,14,16,22H,4-5,10-12H2,1-3H3/t14-,16+,19-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@H]5[C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@@H](NC(=O)CCCCCCCCCC(=O)O5)C6=CC=CC=C6)O)O)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C42H57NO13/c1-23-26-21-42(52)37(35-40(5,36(50)33(48)31(23)39(42,3)4)27(45)20-28-41(35,22-53-28)56-24(2)44)55-30(47)19-15-10-8-6-7-9-14-18-29(46)43-32(34(49)38(51)54-26)25-16-12-11-13-17-25/h11-13,16-17,26-28,32-35,37,45,48-49,52H,6-10,14-15,18-22H2,1-5H3,(H,43,46)/t26-,27-,28+,32-,33+,34+,35-,37-,40+,41-,42+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]3C(=NC4=CC=CC=C4N2)C[C@@H](CC3=O)C5=CC=CO5
InChI: InChI=1S/C24H22N2O3/c1-28-17-10-8-15(9-11-17)24-23-20(25-18-5-2-3-6-19(18)26-24)13-16(14-21(23)27)22-7-4-12-29-22/h2-12,16,23-24,26H,13-14H2,1H3/t16-,23-,24+/m0/s1
SMILES: CCOC1=C(C=C(C(=C1)C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)[N+](=O)[O-])OC
InChI: InChI=1S/C19H26N2O5/c1-3-26-18-10-15(16(21(23)24)11-17(18)25-2)19(22)20-9-8-13-6-4-5-7-14(13)12-20/h10-11,13-14H,3-9,12H2,1-2H3/t13-,14+/m0/s1
SMILES: CC(C)C[C@H]1CC(CCCC(=O)[C@@H]1[CH-]SC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C25H41O2SSi.C5H5.2CO.Fe/c1-19(2)16-20-17-21(27-29(6,7)25(3,4)5)12-11-15-24(26)23(20)18-28-22-13-9-8-10-14-22;1-2-4-5-3-1;2*1-2;/h8-10,13-14,18-21,23H,11-12,15-17H2,1-7H3;1-5H;;;/q-1;;;;+2/t20-,21?,23+;;;;/m0..../s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CC#N)N2CC3=CC=CC=C3
InChI: InChI=1S/C15H15N3O3S2/c16-7-6-14(19)17-15-18(8-11-4-2-1-3-5-11)12-9-23(20,21)10-13(12)22-15/h1-5,12-13H,6,8-10H2/t12-,13-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
InChI: InChI=1S/C21H30O2/c1-14-6-9-18(23)13-17(14)8-7-16-5-4-12-21(3)19(15(2)22)10-11-20(16)21/h7-8,18-20,23H,1,4-6,9-13H2,2-3H3/b16-7+,17-8-/t18-,19+,20-,21+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CCC6)O
InChI: InChI=1S/C23H29NO5/c1-13(25)28-17-7-8-23(27)18-11-15-5-6-16(26)20-19(15)22(23,21(17)29-20)9-10-24(18)12-14-3-2-4-14/h5-6,14,17-18,21,26-27H,2-4,7-12H2,1H3/t17-,18+,21-,22-,23+/m0/s1
SMILES: C[C@@]12CC[C@]3(CCC(CC3C1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)N6C=CN=C6
InChI: InChI=1S/C34H43N3O3/c1-29(2)10-12-34(28(40)37-15-14-36-20-37)13-11-33(7)26(22(34)18-29)23(38)16-25-31(5)17-21(19-35)27(39)30(3,4)24(31)8-9-32(25,33)6/h14-17,20,22,24,26H,8-13,18H2,1-7H3/t22?,24-,26?,31-,32+,33+,34-/m0/s1
SMILES: C=CCCCC(C1=CC=CC=C1)C2=N[C@H]([C@@H](N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H28N2/c1-2-3-7-20-24(21-14-8-4-9-15-21)27-28-25(22-16-10-5-11-17-22)26(29-27)23-18-12-6-13-19-23/h2,4-6,8-19,24-26H,1,3,7,20H2,(H,28,29)/t24?,25-,26-/m0/s1
SMILES: CC(=O)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C24H21NO5/c1-13(26)18-7-2-3-8-19(18)30-24(29)16-5-4-6-17(12-16)25-22(27)20-14-9-10-15(11-14)21(20)23(25)28/h2-8,12,14-15,20-21H,9-11H2,1H3/t14-,15+,20-,21+
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C21H22N2O3/c1-14-7-2-5-12-18(14)23-20(25)19(24)22(21(23)26)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-4,6,8-11,14,18H,2,5,7,12-13H2,1H3/t14-,18-/m0/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)F
InChI: InChI=1S/C14H15FN2O4S2/c1-21-6-13(18)16-14-17(10-4-2-9(15)3-5-10)11-7-23(19,20)8-12(11)22-14/h2-5,11-12H,6-8H2,1H3/t11-,12-/m0/s1
SMILES: CC1=CC=CC=C1CCNC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C22H28N2O5/c1-15-6-2-3-7-16(15)10-12-23-19(25)14-29-20(26)11-13-24-21(27)17-8-4-5-9-18(17)22(24)28/h2-3,6-7,17-18H,4-5,8-14H2,1H3,(H,23,25)/t17-,18-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CSC3=CC=CC=C3)[O+]=CC4=CC=CC=C4)C.[Cl-]
InChI: InChI=1S/C21H23O4S.ClH/c1-21(2)24-19-18(22-13-15-9-5-3-6-10-15)17(23-20(19)25-21)14-26-16-11-7-4-8-12-16;/h3-13,17-20H,14H2,1-2H3;1H/q+1;/p-1/t17-,18+,19-,20-;/m1./s1
SMILES: CC[C@@H]1C(/C=C(/C=C/C(=N/OCCCCOC2=CC3=C(C=C2)N=CC=C3)/[C@@H](C[C@@H]([C@@H](C([C@@H](CC(=O)O1)O)C)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C)O)N(C)C)O)CC=O)C)\C)CN(C)C
InChI: InChI=1S/C46H70N4O10/c1-10-40-35(28-49(6)7)24-29(2)15-17-37(48-57-23-12-11-22-56-36-16-18-38-33(26-36)14-13-20-47-38)30(3)25-34(19-21-51)45(31(4)39(52)27-41(53)59-40)60-46-44(55)42(50(8)9)43(54)32(5)58-46/h13-18,20-21,24,26,30-32,34-35,39-40,42-46,52,54-55H,10-12,19,22-23,25,27-28H2,1-9H3/b17-15+,29-24+,48-37-/t30-,31?,32+,34+,35?,39-,40-,42-,43+,44+,45-,46-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCSC
InChI: InChI=1S/C17H22N2O4S/c1-4-22-13-7-5-12(6-8-13)15-14(11(2)18-17(21)19-15)16(20)23-9-10-24-3/h5-8,14-15H,2,4,9-10H2,1,3H3,(H2,18,19,21)/t14-,15+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C(=C6Br)Br)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8)C(=O)N(C3=O)NC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1S/C47H34Br2Cl2N4O8/c1-61-26-14-9-23(10-15-26)47-31(44(58)55(46(47)60)53-33-18-11-24(50)19-32(33)51)20-29-27(38(47)30-21-36(62-2)41(56)40(49)39(30)48)16-17-28-37(29)45(59)54(43(28)57)25-12-7-22(8-13-25)42-52-34-5-3-4-6-35(34)63-42/h3-16,18-19,21,28-29,31,37-38,53,56H,17,20H2,1-2H3/t28-,29+,31-,37-,38+,47+/m0/s1