EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)[C@@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)CO)C)C(=O)O
InChI: InChI=1S/C30H46O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-22,24,31H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,24+,26-,27-,28+,29+,30-/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](OC(=O)[C@@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O[C@H](O1)C9=CC=CC=C9
InChI: InChI=1S/C54H54O11/c55-52-50(59-34-41-25-13-4-14-26-41)48(57-32-39-21-9-2-10-22-39)46(44(62-52)36-56-31-38-19-7-1-8-20-38)65-54-51(60-35-42-27-15-5-16-28-42)49(58-33-40-23-11-3-12-24-40)47-45(63-54)37-61-53(64-47)43-29-17-6-18-30-43/h1-30,44-51,53-54H,31-37H2/t44-,45-,46-,47+,48+,49+,50-,51-,53+,54+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CSC6=NNC(=N6)C7=CC=NC=C7)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C37H39F3N4O3S/c1-32-11-6-25(45)19-34(32)14-15-36(26(20-34)29(46)23-4-3-5-24(18-23)37(38,39)40)27(32)7-12-33(2)28(36)8-13-35(33,47)21-48-31-42-30(43-44-31)22-9-16-41-17-10-22/h3-5,9-10,14-18,20,25,27-28,45,47H,6-8,11-13,19,21H2,1-2H3,(H,42,43,44)/t25?,27-,28-,32-,33+,34+,35-,36-/m1/s1
SMILES: C1C[C@@H]([C@H]([C@H](C1)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3)CC(=O)N
InChI: InChI=1S/C23H23F6NO2/c24-22(25,26)17-9-14(10-18(12-17)23(27,28)29)13-32-19-8-4-7-16(11-20(30)31)21(19)15-5-2-1-3-6-15/h1-3,5-6,9-10,12,16,19,21H,4,7-8,11,13H2,(H2,30,31)/t16-,19+,21-/m1/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@H](C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@@H](O1)C5=CC=CC=C5
InChI: InChI=1S/C27H28O6/c28-26-25(30-17-20-12-6-2-7-13-20)24(29-16-19-10-4-1-5-11-19)23-22(32-26)18-31-27(33-23)21-14-8-3-9-15-21/h1-15,22-28H,16-18H2/t22-,23+,24-,25-,26?,27+/m0/s1
SMILES: C1CCOC(C1)O[C@@H]2C[C@H]3[C@@H]([C@H]2/C=C/[C@H](COC4=CC(=CC=C4)Cl)OC5CCCCO5)CC(O3)O
InChI: InChI=1S/C27H37ClO7/c28-18-6-5-7-19(14-18)32-17-20(33-26-8-1-3-12-30-26)10-11-21-22-15-25(29)34-24(22)16-23(21)35-27-9-2-4-13-31-27/h5-7,10-11,14,20-27,29H,1-4,8-9,12-13,15-17H2/b11-10+/t20-,21-,22-,23-,24+,25?,26?,27?/m1/s1
SMILES: CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C
InChI: InChI=1S/C33H44O14/c1-15(2)4-8-19-21(44-32-29(40)27(38)25(36)23(13-34)46-32)11-6-16-5-10-20(43-31(16)19)18-9-7-17(42-3)12-22(18)45-33-30(41)28(39)26(37)24(14-35)47-33/h4,6-7,9,11-12,20,23-30,32-41H,5,8,10,13-14H2,1-3H3/t20?,23-,24-,25-,26-,27+,28+,29-,30-,32-,33-/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@@H]1C[C@@H]2C(F)(F)F)/C=N\NC(=O)CC3=CC=CC=C3
InChI: InChI=1S/C17H19F3N2O/c18-17(19,20)15-9-12-7-13(15)8-14(12)10-21-22-16(23)6-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9H2,(H,22,23)/b21-10-/t12-,13+,14+,15-/m0/s1
SMILES: C[C@]12COC3C1[C@]4(CO[C@@](C4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7CC([C@]5(O6)C)[C@]8(C=CO[C@@H]8O7)O)(C(=O)OC)O)[C@H](C[C@H]2O)OC(=O)/C=C/C9=CC=CC=C9
InChI: InChI=1S/C36H42O13/c1-30-16-45-24-25(30)33(21(15-20(30)37)47-23(38)11-10-18-8-6-5-7-9-18)17-46-35(42,28(40)43-4)27(33)31(2,26(24)39)36-22-14-19(32(36,3)49-36)34(41)12-13-44-29(34)48-22/h5-13,19-22,24-27,29,37,39,41-42H,14-17H2,1-4H3/b11-10+/t19?,20-,21+,22+,24?,25?,26-,27?,29-,30-,31-,32-,33+,34+,35+,36+/m1/s1
SMILES: COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2[C@H](C3=CC(=C(C=C3)O)OC)OC)O
InChI: InChI=1S/C21H24O7/c1-25-17-9-12(4-6-15(17)22)8-14-11-28-21(24)19(14)20(27-3)13-5-7-16(23)18(10-13)26-2/h4-7,9-10,14,19-20,22-23H,8,11H2,1-3H3/t14-,19-,20-/m0/s1
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC5=C(C=C4)N(N=C5)COCC[Si](C)(C)C)CC6=CC(=CC=C6)C(=O)OC)CC7=CC=CC=C7)C
InChI: InChI=1S/C45H54N4O6Si/c1-45(2)54-41-39(26-32-14-9-7-10-15-32)47(29-34-18-13-19-36(24-34)43(50)52-3)44(51)48(40(42(41)55-45)27-33-16-11-8-12-17-33)30-35-20-21-38-37(25-35)28-46-49(38)31-53-22-23-56(4,5)6/h7-21,24-25,28,39-42H,22-23,26-27,29-31H2,1-6H3/t39-,40-,41+,42+/m1/s1
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=N1)N)C#N)C3=C(C=C(C=C3)OC)OC)C#N)OCC
InChI: InChI=1S/C19H22N4O4/c1-5-26-19(27-6-2)18(11-21)15(17(18,10-20)16(22)23-19)13-8-7-12(24-3)9-14(13)25-4/h7-9,15H,5-6H2,1-4H3,(H2,22,23)/t15-,17-,18-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O
InChI: InChI=1S/C38H60N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(42)39-30-22-23-38(43)32-26-29-20-21-31(41)35-34(29)37(38,36(30)44-35)24-25-40(32)27-28-18-19-28/h20-21,28,30,32,36,41,43H,2-19,22-27H2,1H3,(H,39,42)/t30-,32+,36-,37-,38+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C[C@@H](CO)O)O)C(=C5)C(=O)C7=CC(=CC=C7)C(F)(F)F)O)C
InChI: InChI=1S/C40H48F3NO5/c1-35-14-11-29(46)20-37(35)17-18-39(31(21-37)34(48)27-9-6-10-28(19-27)40(41,42)43)32(35)12-15-36(2)33(39)13-16-38(36,49)25-44(23-30(47)24-45)22-26-7-4-3-5-8-26/h3-10,17-19,21,29-30,32-33,45-47,49H,11-16,20,22-25H2,1-2H3/t29?,30-,32+,33+,35+,36-,37-,38+,39+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]1CN(C2CCCCC2)C(=O)[C@@H]3CCCO3
InChI: InChI=1S/C18H29NO4/c1-2-22-18(21)15-11-13(15)12-19(14-7-4-3-5-8-14)17(20)16-9-6-10-23-16/h13-16H,2-12H2,1H3/t13-,15+,16-/m0/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC/C=C/C3=CN=CC=C3)N(C)C)O)CC=O)C)\C)C#N
InChI: InChI=1S/C39H55N3O9/c1-8-33-30(22-40)19-24(2)13-14-31(44)25(3)20-29(15-17-43)37(26(4)32(45)21-34(46)50-33)51-39-36(47)35(42(6)7)38(27(5)49-39)48-18-10-12-28-11-9-16-41-23-28/h9-14,16-17,19,23,25-27,29-30,32-33,35-39,45,47H,8,15,18,20-21H2,1-7H3/b12-10+,14-13+,24-19+/t25-,26+,27-,29+,30-,32-,33-,35-,36-,37-,38-,39+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)CCC5=CCCC[C@H]35
InChI: InChI=1S/C21H30O2/c1-20-11-8-16-15-5-3-2-4-14(15)6-7-17(16)18(20)9-12-21(20)13-10-19(22)23-21/h4,15-18H,2-3,5-13H2,1H3/t15-,16+,17+,18-,20-,21+/m0/s1
SMILES: C1=CC(=CC=C1[C@H]2[C@@H]([C@H]3C4=C([C@H]([C@H]5[C@@H]4[C@@H](C6=C5C=C(C=C6O)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C(=O)[C@@H]2C3=O)C9=CC(=CC(=C9)O)O)O
InChI: InChI=1S/C42H32O9/c43-22-7-1-18(2-8-22)30-33(21-13-25(46)15-26(47)14-21)39-37-36-31(19-3-9-23(44)10-4-19)34-28(16-27(48)17-29(34)49)35(36)32(20-5-11-24(45)12-6-20)38(37)41(50)40(30)42(39)51/h1-17,30-33,35-36,39-40,43-49H/t30-,31+,32-,33-,35-,36-,39-,40+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC=C3)C[C@@H](CO)O)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=C(O5)C6=C(C=CC(=C6)C(F)(F)F)Cl)C
InChI: InChI=1S/C44H49ClF3NO6/c1-28-7-6-19-42(2)37(18-20-43(42,54)27-49(25-33(52)26-50)24-29-8-4-3-5-9-29)34-14-11-30(21-32(51)13-10-28)22-35(34)41(53)40-17-16-39(55-40)36-23-31(44(46,47)48)12-15-38(36)45/h3-5,7-9,11-12,14-17,22-23,32-33,37,50-52,54H,6,10,13,18-21,24-27H2,1-2H3/t32-,33-,37-,42-,43+/m0/s1
SMILES: C[C@@H]1CCC2(CC3CC(O2)C/C=C(/[C@H](C(/C=C/C=C/4\COC\5[C@@]4(C(C=C(/C5=N\O)C)C(=O)O3)O)C)OC6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)OC1C(C)C
InChI: InChI=1S/C49H74N2O14/c1-25(2)43-28(5)17-18-48(65-43)23-35-20-34(64-48)16-15-27(4)44(26(3)13-12-14-33-24-58-46-41(51-55)29(6)19-36(47(53)61-35)49(33,46)54)62-40-22-38(57-11)45(31(8)60-40)63-39-21-37(56-10)42(30(7)59-39)50-32(9)52/h12-15,19,25-26,28,30-31,34-40,42-46,54-55H,16-18,20-24H2,1-11H3,(H,50,52)/b13-12+,27-15+,33-14+,51-41+/t26?,28-,30+,31-,34?,35?,36?,37+,38-,39+,40?,42-,43?,44+,45-,46?,48?,49-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F
InChI: InChI=1S/C21H32FN3O3S/c1-15-6-4-9-20(16(15)2)23-21(26)17(3)24-10-12-25(13-11-24)29(27,28)19-8-5-7-18(22)14-19/h5,7-8,14-17,20H,4,6,9-13H2,1-3H3,(H,23,26)/t15-,16-,17-,20-/m1/s1
SMILES: C[C@@H]([C@H]1C=C[C@H]([C@H](O1)C(=O)O[C@@H](C)[C@H]2C=C[C@H]([C@H](O2)C(=O)OCC(Cl)(Cl)Cl)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C30H31Cl3O7/c1-18(34)24-15-13-23(21-11-7-4-8-12-21)27(39-24)29(36)38-19(2)25-16-14-22(20-9-5-3-6-10-20)26(40-25)28(35)37-17-30(31,32)33/h3-16,18-19,22-27,34H,17H2,1-2H3/t18-,19-,22-,23-,24+,25+,26-,27-/m0/s1
SMILES: CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@](C4)(C(F)(F)F)O)C)C
InChI: InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3/t14-,15?,16+,17?,18?,19-,20+,21+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C=NC7=CC(=CC=C7)Cl
InChI: InChI=1S/C32H23ClN2O3/c1-38-22-15-13-21(14-16-22)35-30(36)28-27-23-9-2-4-11-25(23)32(29(28)31(35)37,26-12-5-3-10-24(26)27)18-34-20-8-6-7-19(33)17-20/h2-18,27-29H,1H3/t27?,28-,29+,32?/m0/s1
SMILES: CC(CNC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)O
InChI: InChI=1S/C13H20N6O5/c1-5(21)2-15-13-17-10(14)7-11(18-13)19(4-16-7)12-9(23)8(22)6(3-20)24-12/h4-6,8-9,12,20-23H,2-3H2,1H3,(H3,14,15,17,18)/t5?,6-,8-,9-,12-/m1/s1
SMILES: CC(=O)O[C@H]1CCC2=C([C@@H]1Cl)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C23
InChI: InChI=1S/C24H19ClO2/c1-14(26)27-23-11-10-19-20(24(23)25)9-8-17-12-21-16(13-22(17)19)7-6-15-4-2-3-5-18(15)21/h2-9,12-13,23-24H,10-11H2,1H3/t23-,24-/m0/s1
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)[C@@H]3[C@@H]4CC=C[C@H]4C5=C(N3)C(=CC=C5)F
InChI: InChI=1S/C22H23FN2O3S/c23-20-6-2-5-19-17-3-1-4-18(17)21(24-22(19)20)15-7-9-16(10-8-15)29(26,27)25-11-13-28-14-12-25/h1-3,5-10,17-18,21,24H,4,11-14H2/t17-,18-,21-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OCC7=CC=CC(=N7)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C60H81N3O8/c1-5-8-9-10-11-12-13-14-15-22-38-67-59(66)63(42-47-29-24-28-45-26-16-17-31-50(45)47)56-41-54(62-70-7-3)52-39-46(27-18-20-35-64)51(32-19-21-36-65)57-53-40-49(68-43-48-30-23-25-44(4)61-48)33-34-55(53)71-60(56,58(52)57)69-37-6-2/h6,16-17,23-26,28-31,33-34,39-40,46,51,56-58,64-65H,2,5,7-15,18-22,27,32,35-38,41-43H2,1,3-4H3/t46-,51+,56-,57+,58+,60+/m0/s1
SMILES: C[C@@H]1[C@@H](CC[C@@H](N1)CCCCCCCCCCC2C=C(CN3C2CCC3)CCCCCCCCCC[C@@H]4CC[C@@H]([C@@H](N4)C)O)O
InChI: InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3/t32-,33+,35?,36+,37-,38?,39-,40+/m0/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(C=C7)O)C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C36H33N3O7/c1-20-7-11-23(12-8-20)37-39-33(44)28-19-27-25(15-16-26-30(27)34(45)38(32(26)43)18-17-29(41)42)31(21-9-13-24(40)14-10-21)36(28,35(39)46)22-5-3-2-4-6-22/h2-15,26-28,30-31,37,40H,16-19H2,1H3,(H,41,42)/t26-,27+,28-,30-,31-,36+/m0/s1
SMILES: CC1=C(SC=C1)[C@H]2[C@@H]3C(=O)CC(C=C3NC(=N2)NC4=NC5=CC=CC=C5O4)(C)C
InChI: InChI=1S/C22H22N4O2S/c1-12-8-9-29-19(12)18-17-14(10-22(2,3)11-15(17)27)23-20(25-18)26-21-24-13-6-4-5-7-16(13)28-21/h4-10,17-18H,11H2,1-3H3,(H2,23,24,25,26)/t17-,18+/m0/s1
SMILES: CC1(N([C@@H](CO1)[C@H]2[C@@H](O2)COCC3=CC=CC=C3)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C20H29NO5/c1-19(2,3)26-18(22)21-15(12-24-20(21,4)5)17-16(25-17)13-23-11-14-9-7-6-8-10-14/h6-10,15-17H,11-13H2,1-5H3/t15-,16-,17-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC=C5OC)O)C(=O)N(C4=O)C6CCCCC6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C34H34ClFN2O6/c1-34-22(31(41)38(33(34)43)18-11-14-24(36)23(35)15-18)16-21-19(29(34)28-25(39)9-6-10-26(28)44-2)12-13-20-27(21)32(42)37(30(20)40)17-7-4-3-5-8-17/h6,9-12,14-15,17,20-22,27,29,39H,3-5,7-8,13,16H2,1-2H3/t20-,21+,22-,27-,29+,34+/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O)F
InChI: InChI=1S/C37H32FN5O5/c1-46-28-19-17-27(18-20-28)37(25-13-7-3-8-14-25,26-15-9-4-10-16-26)47-21-29-30(38)32(44)36(48-29)43-23-41-31-33(39-22-40-34(31)43)42-35(45)24-11-5-2-6-12-24/h2-20,22-23,29-30,32,36,44H,21H2,1H3,(H,39,40,42,45)/t29-,30+,32-,36-/m1/s1
SMILES: CCCCN1[C@H]([C@@H](CCC1=O)C(=O)NC2=NC=CS2)C3=CC=CC=C3OC
InChI: InChI=1S/C20H25N3O3S/c1-3-4-12-23-17(24)10-9-15(19(25)22-20-21-11-13-27-20)18(23)14-7-5-6-8-16(14)26-2/h5-8,11,13,15,18H,3-4,9-10,12H2,1-2H3,(H,21,22,25)/t15-,18+/m1/s1
SMILES: CC(=C[C@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3C1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C
InChI: InChI=1S/C36H58O9/c1-19(2)14-20-16-42-36-17-35(18-43-36)21(29(36)34(20,7)41)8-9-24-32(5)12-11-25(31(3,4)23(32)10-13-33(24,35)6)45-30-28(40)27(39)26(38)22(15-37)44-30/h14,20-30,37-41H,8-13,15-18H2,1-7H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29-,30-,32-,33+,34?,35-,36+/m0/s1
SMILES: C[C@@H](C(=O)C1=CC=CC=C1)OC2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C24H23NO4/c1-14(22(26)15-5-3-2-4-6-15)29-19-11-9-18(10-12-19)25-23(27)20-16-7-8-17(13-16)21(20)24(25)28/h2-6,9-12,14,16-17,20-21H,7-8,13H2,1H3/t14-,16-,17+,20-,21-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@](N(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl)(C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C24H21Cl2NO5/c1-30-18-8-4-16(5-9-18)22-24(29,17-6-10-19(31-2)11-7-17)27(23(28)32-22)14-15-3-12-20(25)21(26)13-15/h3-13,22,29H,14H2,1-2H3/t22-,24+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)N2[C@H](CC(=N2)C3=CC=C(C=C3)C)C4=CC=CO4
InChI: InChI=1S/C21H22N2O4/c1-13-5-7-15(8-6-13)17-11-18(19-4-3-9-26-19)23(22-17)20(24)12-27-21(25)16-10-14(16)2/h3-9,14,16,18H,10-12H2,1-2H3/t14-,16+,18-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)NC9=CC=CC=C9
InChI: InChI=1S/C46H35ClN2O5/c47-29-16-23-39(50)37(24-29)42-33-21-22-34-41(45(54)49(44(34)53)32-19-17-31(18-20-32)48-30-14-8-3-9-15-30)36(33)25-38-43(52)35(27-10-4-1-5-11-27)26-40(51)46(38,42)28-12-6-2-7-13-28/h1-21,23-24,26,34,36,38,41-42,48,50H,22,25H2/t34-,36+,38-,41-,42+,46-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]3CC4=C(C[C@@]3(C2)CO)C=NN4C5=CC=C(C=C5)F
InChI: InChI=1S/C27H32FN3O3S/c1-26(2,3)20-4-10-24(11-5-20)35(33,34)30-13-12-21-14-25-19(15-27(21,17-30)18-32)16-29-31(25)23-8-6-22(28)7-9-23/h4-11,16,21,32H,12-15,17-18H2,1-3H3/t21-,27+/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C27H20N4O5/c1-15-11-12-18(31(35)36)13-20(15)29-26(33)21-22(27(29)34)24(25(32)16-7-3-2-4-8-16)30-23(21)19-10-6-5-9-17(19)14-28-30/h2-14,21-24H,1H3/t21-,22-,23-,24+/m1/s1
SMILES: CC(=O)CCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)OCCOC)OC(=O)CCC(=O)C
InChI: InChI=1S/C30H35N5O10/c1-18(36)9-11-22(38)43-15-21-25(45-23(39)12-10-19(2)37)26(42-14-13-41-3)30(44-21)35-17-33-24-27(31-16-32-28(24)35)34-29(40)20-7-5-4-6-8-20/h4-8,16-17,21,25-26,30H,9-15H2,1-3H3,(H,31,32,34,40)/t21-,25-,26-,30-/m1/s1
SMILES: C1[C@H]2C[C@H]3[C@@H]1[C@@H]([C@@H]2S[C@@H](CCl)C(F)(F)F)OC3=O
InChI: InChI=1S/C11H12ClF3O2S/c12-3-7(11(13,14)15)18-9-4-1-5-6(2-4)10(16)17-8(5)9/h4-9H,1-3H2/t4-,5+,6-,7-,8-,9+/m0/s1
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(O)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O
InChI: InChI=1S/C19H25N4O9P/c1-30-18(26)12(9-11-5-3-2-4-6-11)22-33(28,29)31-10-13-15(24)16(25)17(32-13)23-8-7-14(20)21-19(23)27/h2-8,12-13,15-17,24-25H,9-10H2,1H3,(H2,20,21,27)(H2,22,28,29)/t12-,13+,15+,16-,17+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)CSCCO
InChI: InChI=1S/C27H30N2O5S/c1-18-24(17-35-13-12-30)33-27(34-25(18)20-9-7-19(16-31)8-10-20)21-4-2-6-23(14-21)29-26(32)22-5-3-11-28-15-22/h2-11,14-15,18,24-25,27,30-31H,12-13,16-17H2,1H3,(H,29,32)/t18-,24+,25+,27+/m0/s1
SMILES: C[C@H]1[C@@H](OC(O[C@H]1/C(=C\CCC2=C(C(=CC3=C2SCC(=O)N3)N)O[Si](C)(C)C(C)(C)C)/C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H60N2O5SSi2/c1-22(29-23(2)27(39-34(9,10)40-29)18-19-38-43(11,12)32(3,4)5)16-15-17-24-30(41-44(13,14)33(6,7)8)25(35)20-26-31(24)42-21-28(37)36-26/h16,20,23,27,29H,15,17-19,21,35H2,1-14H3,(H,36,37)/b22-16-/t23-,27-,29-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)CBr)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H31BrO5/c29-16-24-26(32-18-22-12-6-2-7-13-22)27(33-19-23-14-8-3-9-15-23)25(34-28(24)30)20-31-17-21-10-4-1-5-11-21/h1-15,24-28,30H,16-20H2/t24-,25+,26+,27+,28-/m0/s1
SMILES: C[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=C(C=C(C=C3)O)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)[O-]
InChI: InChI=1S/C21H20N2O6/c1-21(20(28)29)16-15(17(22-21)13-8-7-12(24)9-14(13)25)18(26)23(19(16)27)10-11-5-3-2-4-6-11/h2-9,15-17,22,24-25H,10H2,1H3,(H,28,29)/t15-,16-,17-,21-/m0/s1
SMILES: COC1=C(C=C2[C@@H]3[C@@H]([C@H]([C@H](N3CCC2=C1)C(=O)OC)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-])OC
InChI: InChI=1S/C23H24N2O8/c1-29-16-8-12-6-7-24-20(14(12)10-17(16)30-2)21(25(27)28)19(22(24)23(26)31-3)13-4-5-15-18(9-13)33-11-32-15/h4-5,8-10,19-22H,6-7,11H2,1-3H3/t19-,20-,21-,22+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](N(C[C@@H](C[C@]([C@@H]([C@H](C(C(C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)CC4=CC=CC=C4)C)(C)O
InChI: InChI=1S/C40H66N2O9/c1-12-32-40(9,46)36-29(7)42(21-30-16-14-13-15-17-30)20-24(2)19-39(8,48-23-25(3)22-47-36)35(27(5)33(43)28(6)37(45)50-32)51-38-34(44)31(41(10)11)18-26(4)49-38/h13-17,24,26-29,31-36,38,43-44,46H,3,12,18-23H2,1-2,4-11H3/t24-,26-,27+,28?,29-,31+,32-,33?,34-,35-,36+,38+,39-,40-/m1/s1
SMILES: CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COS(=O)(=O)C
InChI: InChI=1S/C25H34O8S/c1-5-21(29)33-25(20(28)14-32-34(4,30)31)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h8,10,12,17-19,22,27H,5-7,9,11,13-14H2,1-4H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
SMILES: CC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)Cl)C(=O)OC[C@H]4CCCO4
InChI: InChI=1S/C22H24ClNO4/c1-13-19(22(26)28-12-16-4-3-11-27-16)20(14-7-9-15(23)10-8-14)21-17(24-13)5-2-6-18(21)25/h7-10,16,20-21H,2-6,11-12H2,1H3/t16-,20+,21-/m1/s1
SMILES: CC1(C[C@H]([C@@H](C1)OC(=O)N2C(COC2(C)C)(C)C)[C@@H](C3=CC=CC=C3)[Si](C)(C)C4=CC=CC=C4)C
InChI: InChI=1S/C30H43NO3Si/c1-28(2)19-24(25(20-28)34-27(32)31-29(3,4)21-33-30(31,5)6)26(22-15-11-9-12-16-22)35(7,8)23-17-13-10-14-18-23/h9-18,24-26H,19-21H2,1-8H3/t24-,25-,26-/m1/s1
SMILES: CC(C)[C@H]1[C@H]2CC=C[C@@H]2C3=C(N1)C(=CC(=C3)Cl)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22ClNO/c1-13(2)20-17-10-6-9-16(17)18-11-15(23)12-19(21(18)24-20)22(25)14-7-4-3-5-8-14/h3-9,11-13,16-17,20,24H,10H2,1-2H3/t16-,17-,20-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H](C(C2[C@]1([C@H]3CC[C@]4([C@@H](CC=C4[C@@]3([C@@H](C2)OC(=O)C)C)C5CC(=O)C(=O)C(OC5)(C)C)C)C)(C)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C41H54O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(46)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(45)38(5,6)47-22-26/h10-14,16,26-27,30-34H,15,17-22H2,1-9H3/t26?,27-,30-,31?,32+,33+,34-,39-,40-,41+/m0/s1
SMILES: C[C@H]1[C@@H]2C[C@@H](C[C@H]3[C@@H]2C=C(C[C@H]3[C@H](C=O)C(C)C)C)OC1=O
InChI: InChI=1S/C19H28O3/c1-10(2)18(9-20)16-6-11(3)5-15-14-7-13(8-17(15)16)22-19(21)12(14)4/h5,9-10,12-18H,6-8H2,1-4H3/t12-,13-,14-,15+,16+,17-,18+/m0/s1
SMILES: CC1=CC(=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)C(C)C)C(=O)N(C4=O)CC5=CC=CC=C5Cl)Cl
InChI: InChI=1S/C24H23Cl2N3O3/c1-11(2)19-17-18(22(31)29(21(17)30)10-13-6-4-5-7-16(13)26)24(28-19)15-9-14(25)8-12(3)20(15)27-23(24)32/h4-9,11,17-19,28H,10H2,1-3H3,(H,27,32)/t17-,18-,19-,24-/m0/s1
SMILES: C1[C@]2([C@H](C3=CC=CC=C3OC2=O)C4=C(S1)NC(=O)S4)CC(=O)[O-]
InChI: InChI=1S/C15H11NO5S2/c17-9(18)5-15-6-22-12-11(23-14(20)16-12)10(15)7-3-1-2-4-8(7)21-13(15)19/h1-4,10H,5-6H2,(H,16,20)(H,17,18)/p-1/t10-,15+/m1/s1
SMILES: COCCNC(=O)[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=C4
InChI: InChI=1S/C20H27N5O2/c1-27-10-8-21-20(26)18-13-24-9-7-16(18)11-17(24)12-25-14-19(22-23-25)15-5-3-2-4-6-15/h2-6,14,16-18H,7-13H2,1H3,(H,21,26)/p+1/t16-,17+,18-/m0/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C26H40O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19-,20+,21-,22+,23-,25+,26-/m1/s1
SMILES: C[C@H]1CCC[C@H]2[C@@]1(C[C@@H](CC2=O)C(=C)C(=O)O)C
InChI: InChI=1S/C15H22O3/c1-9-5-4-6-12-13(16)7-11(8-15(9,12)3)10(2)14(17)18/h9,11-12H,2,4-8H2,1,3H3,(H,17,18)/t9-,11+,12+,15+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O
InChI: InChI=1S/C25H25N3O6/c1-14-12-28(24(31)27-23(14)30)22-10-20(29)21(34-22)11-26-25(32)33-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12,19-22,29H,10-11,13H2,1H3,(H,26,32)(H,27,30,31)/t20-,21+,22+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=NC4=CC=CC=C4C=C3
InChI: InChI=1S/C20H18N2O4/c23-18(11-22-19(24)15-6-2-3-7-16(15)20(22)25)26-12-14-10-9-13-5-1-4-8-17(13)21-14/h1-5,8-10,15-16H,6-7,11-12H2/t15-,16+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CNC(=O)C2=CC=CC=C2Cl
InChI: InChI=1S/C17H23ClN2O2/c1-11-6-5-9-15(12(11)2)20-16(21)10-19-17(22)13-7-3-4-8-14(13)18/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21)/t11-,12-,15+/m1/s1
SMILES: C[C@@H]1C[C@H]2CC3=C(C=CC(=C3)OC)[C@@]4(C1)[C@@H]2CCCN4
InChI: InChI=1S/C18H25NO/c1-12-8-13-9-14-10-15(20-2)5-6-17(14)18(11-12)16(13)4-3-7-19-18/h5-6,10,12-13,16,19H,3-4,7-9,11H2,1-2H3/t12-,13+,16-,18-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H]([C@@H](C4=CC5=C(C=C24)OCO5)O)C(OC3=O)O
InChI: InChI=1S/C22H22O9/c1-26-14-4-9(5-15(27-2)20(14)28-3)16-10-6-12-13(30-8-29-12)7-11(10)19(23)18-17(16)21(24)31-22(18)25/h4-7,16-19,22-23,25H,8H2,1-3H3/t16-,17-,18+,19-,22?/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)[C@@H](CCC(C)(C)O)OC
InChI: InChI=1S/C28H46O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-28(5)24(13-14-25(21)28)20(2)26(31-6)15-17-27(3,4)30/h10-11,20,23-26,29-30H,1,7-9,12-18H2,2-6H3/b21-10+,22-11-/t20-,23-,24+,25-,26+,28+/m0/s1
SMILES: C[C@@H]1[C@]([C@@H]2C[C@H](O1)ON2CC3=CC=CC=C3)(C)F
InChI: InChI=1S/C14H18FNO2/c1-10-14(2,15)12-8-13(17-10)18-16(12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12+,13-,14+/m1/s1
SMILES: C1C[C@@H]2[C@H](C1)[C@]3(C4=CC=CC=C4C(=O)[C@@]35[C@@H]2CCC5)O
InChI: InChI=1S/C18H20O2/c19-16-12-5-1-2-7-15(12)18(20)14-8-3-6-11(14)13-9-4-10-17(13,16)18/h1-2,5,7,11,13-14,20H,3-4,6,8-10H2/t11-,13+,14-,17+,18+/m0/s1
SMILES: CC(=O)OC[C@@]12[C@@H]3[C@@H](C[C@H]([C@H]3O)O)[C@@H]([C@@H]1O2)OC(=O)C4=CC=C(C=C4)O
InChI: InChI=1S/C18H20O8/c1-8(19)24-7-18-13-11(6-12(21)14(13)22)15(16(18)26-18)25-17(23)9-2-4-10(20)5-3-9/h2-5,11-16,20-22H,6-7H2,1H3/t11-,12-,13-,14-,15+,16+,18-/m1/s1
SMILES: CCOP(=O)([C@H](C(=O)OCC1=CC=CC=C1)N2[C@@H]3CCC4(N([C@@H]3C2=O)[C@H](CO4)C5=CC=CC=C5)OC(=O)C)OCC
InChI: InChI=1S/C29H35N2O9P/c1-4-38-41(35,39-5-2)27(28(34)36-18-21-12-8-6-9-13-21)30-23-16-17-29(40-20(3)32)31(25(23)26(30)33)24(19-37-29)22-14-10-7-11-15-22/h6-15,23-25,27H,4-5,16-19H2,1-3H3/t23-,24-,25+,27-,29?/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)COS(=O)(=O)C)C
InChI: InChI=1S/C10H18O7S/c1-10(2)16-7-6(5-14-18(4,11)12)15-9(13-3)8(7)17-10/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=CC(=O)OCC(F)(F)F)OC5(O3)CC6=CC=CC=C6C5
InChI: InChI=1S/C45H47F3N2O11/c1-43(2,3)60-38(53)18-16-34(25-51)50-41(55)30-10-6-7-28(19-30)24-49-40(54)33-20-35(39-36(21-33)59-44(61-39)22-31-8-4-5-9-32(31)23-44)58-42(56)29-14-11-27(12-15-29)13-17-37(52)57-26-45(46,47)48/h4-15,17,19,21,34-36,39,51H,16,18,20,22-26H2,1-3H3,(H,49,54)(H,50,55)/t34-,35+,36+,39-/m0/s1
SMILES: CC(=O)OCCOC(=O)CCCSCC[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](CC2=CC(=CC=C2)COC)O
InChI: InChI=1S/C27H38O8S/c1-19(28)34-11-12-35-27(32)7-4-13-36-14-10-24-23(25(30)17-26(24)31)9-8-22(29)16-20-5-3-6-21(15-20)18-33-2/h3,5-6,8-9,15,22-25,29-30H,4,7,10-14,16-18H2,1-2H3/b9-8+/t22-,23-,24-,25-/m1/s1
SMILES: C[C@]1([C@H](N(C1=O)C2=CC=C(C=C2)OC)C=O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H18N2O4/c1-19(20-17(23)13-6-4-3-5-7-13)16(12-22)21(18(19)24)14-8-10-15(25-2)11-9-14/h3-12,16H,1-2H3,(H,20,23)/t16-,19-/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
InChI: InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1
SMILES: C/C=C(/C)\C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O)N(C)C)[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)N(C)C)O
InChI: InChI=1S/C39H48N2O9/c1-11-17(2)26-15-25(42)29-18(3)12-23-31(37(29)50-26)36(46)32-30(35(23)45)21(27-14-24(40(7)8)33(43)19(4)48-27)13-22(34(32)44)28-16-39(6,41(9)10)38(47)20(5)49-28/h11-13,15,19-20,24,27-28,33,38,43-44,47H,14,16H2,1-10H3/b17-11-/t19-,20-,24+,27-,28-,33-,38-,39+/m1/s1