EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)CC(/C=C/C=C/C=C/C(=O)O)O)(C)C)OC)OCO2)O)OC)C
InChI: InChI=1S/C30H45NO11/c1-17-15-30(38-7,42-19(3)18(17)2)25(35)27(36)31-28-24-23(39-16-40-28)26(37-6)29(4,5)21(41-24)14-20(32)12-10-8-9-11-13-22(33)34/h8-13,18-21,23-26,28,32,35H,1,14-16H2,2-7H3,(H,31,36)(H,33,34)/b9-8+,12-10+,13-11+/t18-,19-,20?,21-,23+,24+,25-,26-,28+,30-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]2CC[C@]3([C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H](CC3[C@@]2(C)COC(=O)C)OC(=O)C6=CC=C(C=C6)C)C
InChI: InChI=1S/C38H46O6/c1-23-7-11-27(12-8-23)34(40)43-32-17-18-36(5)30-16-15-29-21-38(30,20-25(29)3)33(19-31(36)37(32,6)22-42-26(4)39)44-35(41)28-13-9-24(2)10-14-28/h7-14,29-33H,3,15-22H2,1-2,4-6H3/t29-,30+,31?,32-,33+,36+,37-,38+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]4CC[C@]([C@@]4(CC[C@@H]3[C@@]1(CC(=CC5=CC=CC=C5)C(=O)C2)C)C)(C)O
InChI: InChI=1S/C28H38O2/c1-25-13-10-21-22-12-15-28(4,30)26(22,2)14-11-23(21)27(25,3)17-20(24(29)18-25)16-19-8-6-5-7-9-19/h5-9,16,21-23,30H,10-15,17-18H2,1-4H3/t21-,22+,23+,25+,26-,27+,28+/m1/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)CCC8CCCC8)OCC=C)C=O
InChI: InChI=1S/C55H69FN2O10/c1-3-29-65-55-50(58(35-38-17-20-41(56)21-18-38)51(62)26-19-37-12-4-5-13-37)34-47(57-68-52-16-8-11-30-64-52)45-32-39(14-6-9-27-59)44(15-7-10-28-60)53(54(45)55)46-33-43(23-25-49(46)67-55)66-42-22-24-48(63-2)40(31-42)36-61/h3,17-18,20-25,31-33,36-37,39,44,50,52-54,59-60H,1,4-16,19,26-30,34-35H2,2H3/t39-,44+,50-,52?,53+,54+,55+/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)C=CC6=C(C=CC(=C6)OC)OC)C7=C(C=C(C=C7)O)Cl
InChI: InChI=1S/C39H32ClNO7/c1-20-16-32(43)30-19-29-26(34(36(30)37(20)44)27-12-10-24(42)18-31(27)40)13-14-28-35(29)39(46)41(38(28)45)23-8-5-21(6-9-23)4-7-22-17-25(47-2)11-15-33(22)48-3/h4-13,15-18,28-29,34-35,42H,14,19H2,1-3H3/t28-,29+,34+,35-/m0/s1
SMILES: CN1[C@@H]2C[C@@H]([C@@H]([C@H]1C[C@@H]2O)C(=O)OC)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C20H23NO3/c1-21-16-10-15(19(20(23)24-2)17(21)11-18(16)22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-19,22H,10-11H2,1-2H3/t15-,16-,17-,18+,19+/m1/s1
SMILES: CC[Si](CC)(C(C)C)O[C@H]1C[C@@]2(CC[C@@H](C(=C)[C@H]2[C@@H]([C@@H]3CCC(=C1C3(C)C)C)O)OC(=O)C)C
InChI: InChI=1S/C29H50O4Si/c1-11-34(12-2,18(3)4)33-24-17-29(10)16-15-23(32-21(7)30)20(6)26(29)27(31)22-14-13-19(5)25(24)28(22,8)9/h18,22-24,26-27,31H,6,11-17H2,1-5,7-10H3/t22-,23-,24-,26-,27+,29-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC(=O)NC3CCCC3
InChI: InChI=1S/C16H23N3O4/c20-13(18-16(23)17-10-5-1-2-6-10)9-19-14(21)11-7-3-4-8-12(11)15(19)22/h10-12H,1-9H2,(H2,17,18,20,23)/t11-,12-/m1/s1
SMILES: CC1=C(N=C(O1)[C@@]2(CSC(=N2)[C@@]3(CSC(=N3)[C@@]4(CSC(=N4)[C@H]5[C@H](O5)C6=CC=CC=C6)C)C)C)C(=O)NC
InChI: InChI=1S/C26H29N5O3S3/c1-14-16(19(32)27-5)28-21(33-14)24(2)11-36-23(30-24)26(4)13-37-22(31-26)25(3)12-35-20(29-25)18-17(34-18)15-9-7-6-8-10-15/h6-10,17-18H,11-13H2,1-5H3,(H,27,32)/t17-,18-,24+,25+,26+/m1/s1
SMILES: CCOC1=CC(=C(C=C1)OCC)[C@@H]2[C@H]3CCC=C3C(=C(C2(C#N)C#N)N)C#N
InChI: InChI=1S/C22H22N4O2/c1-3-27-14-8-9-19(28-4-2)17(10-14)20-16-7-5-6-15(16)18(11-23)21(26)22(20,12-24)13-25/h6,8-10,16,20H,3-5,7,26H2,1-2H3/t16-,20-/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O3/c1-12(2)14-8-10-15(11-9-14)21-18(23)13(3)22-19(24)16-6-4-5-7-17(16)20(22)25/h4-5,8-13,16-17H,6-7H2,1-3H3,(H,21,23)/t13-,16-,17+/m0/s1
SMILES: CC(C)(C)C(=O)C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC)C(F)(F)Br)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C23H37BrF2O7/c1-20(2,3)13(27)11-12-15(32-18(28)21(4,5)6)16(33-19(29)22(7,8)9)14(23(24,25)26)17(30-10)31-12/h12,14-17H,11H2,1-10H3/t12-,14-,15+,16-,17-/m1/s1
SMILES: COC(=O)C1=C([C@H]2[C@@H]1[C@@H]3[C@H]2C(=O)C4=CC=CC=C4C3=O)C(=O)OC
InChI: InChI=1S/C18H14O6/c1-23-17(21)13-9-10(14(13)18(22)24-2)12-11(9)15(19)7-5-3-4-6-8(7)16(12)20/h3-6,9-12H,1-2H3/t9-,10+,11-,12+
SMILES: CCN(CC(=O)NOCC1=CC=CC=C1)C(=O)[C@@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C19H26N2O5/c1-2-21(18(23)15-10-6-7-11-16(15)19(24)25)12-17(22)20-26-13-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,20,22)(H,24,25)/t15-,16-/m1/s1
SMILES: CC(=CCO[C@@H]1[C@H]([C@H](OC1OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3)C
InChI: InChI=1S/C25H32O5/c1-19(2)14-15-28-24-23(29-17-21-12-8-5-9-13-21)22(30-25(24)26-3)18-27-16-20-10-6-4-7-11-20/h4-14,22-25H,15-18H2,1-3H3/t22-,23+,24-,25?/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)Br)Br)C=C
InChI: InChI=1S/C20H18Br2O5/c1-4-10-5-6-12-18(24)13(21)9-16(23)20(12,22)17(10)11-7-14(26-2)19(25)15(8-11)27-3/h4-5,7-9,12,17,25H,1,6H2,2-3H3/t12-,17+,20+/m0/s1
SMILES: C1C[C@H]([C@@H]2C(C(CN2C1)O)O)O[C@@H]3C(C(C(C(O3)CO)O)O)O
InChI: InChI=1S/C14H25NO8/c16-5-8-11(19)12(20)13(21)14(23-8)22-7-2-1-3-15-4-6(17)10(18)9(7)15/h6-14,16-21H,1-5H2/t6?,7-,8?,9-,10?,11?,12?,13?,14+/m1/s1
SMILES: CC(=O)[C@]12[C@H]3[C@H]4[C@@](O1)(CCCN4C5=CC=CC=C35)N(C2=O)C
InChI: InChI=1S/C17H18N2O3/c1-10(20)17-13-11-6-3-4-7-12(11)19-9-5-8-16(22-17,14(13)19)18(2)15(17)21/h3-4,6-7,13-14H,5,8-9H2,1-2H3/t13-,14+,16+,17-/m1/s1
SMILES: CC(=CCNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO
InChI: InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)N=C3N2C(C4=C3C5=CC=CC=C5C=C4)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C24H21ClN2O/c25-17-12-10-16(11-13-17)24(28)19-14-9-15-5-1-2-6-18(15)22(19)23-26-20-7-3-4-8-21(20)27(23)24/h1-2,5-6,9-14,20-21,28H,3-4,7-8H2/t20-,21-,24?/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C19H24N2O5/c1-13-6-5-8-16(14(13)2)20-18(22)12-26-19(23)11-10-15-7-3-4-9-17(15)21(24)25/h3-4,7,9-11,13-14,16H,5-6,8,12H2,1-2H3,(H,20,22)/b11-10+/t13-,14-,16-/m1/s1
SMILES: CC(=C)C[C@@H]1CC[C@]2([C@@H]1C(=O)CC[C@@H]2O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C30H40O2Si/c1-22(2)21-23-19-20-30(6)27(18-17-26(31)28(23)30)32-33(29(3,4)5,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,23,27-28H,1,17-21H2,2-6H3/t23-,27-,28-,30+/m0/s1
SMILES: C1[C@@H]([C@H]1N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H21NO/c25-23(20-14-8-3-9-15-20)24(17-18-10-4-1-5-11-18)22-16-21(22)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22+/m1/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCC3)C(=O)CC4=CC=CC=C4)C(=O)NCCO
InChI: InChI=1S/C30H35IN2O7/c1-39-26-14-20(18-35)13-23(31)29(26)40-25-17-21(30(38)32-11-12-34)16-24(28(25)37)33(22-9-5-6-10-22)27(36)15-19-7-3-2-4-8-19/h2-4,7-8,13-14,17-18,22,24-25,28,34,37H,5-6,9-12,15-16H2,1H3,(H,32,38)/t24-,25+,28+/m1/s1
SMILES: CC1=C([C@]23CCC4=C([C@@]2(CC[C@@H]1C3NCC=C)C)C=C(C=C4)O)C
InChI: InChI=1S/C22H29NO/c1-5-12-23-20-18-9-10-21(4)19-13-17(24)7-6-16(19)8-11-22(20,21)15(3)14(18)2/h5-7,13,18,20,23-24H,1,8-12H2,2-4H3/t18-,20?,21-,22-/m0/s1
SMILES: CCCCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)C=O)OC)C(=O)NCCO)C(=O)C=C(C)C
InChI: InChI=1S/C28H39IN2O7/c1-5-6-7-8-10-31(25(34)12-18(2)3)22-15-20(28(36)30-9-11-32)16-23(26(22)35)38-27-21(29)13-19(17-33)14-24(27)37-4/h12-14,16-17,22-23,26,32,35H,5-11,15H2,1-4H3,(H,30,36)/t22-,23+,26+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)NCCN[C@@H]3CCCC[C@H]3NCC4=NC(=CC(=C4)SCCN)CN2.Cl[Mn]Cl
InChI: InChI=1S/C23H40N6S.2ClH.Mn/c24-9-12-30-19-13-17-15-27-22-7-3-1-5-20(22)25-10-11-26-21-6-2-4-8-23(21)28-16-18(14-19)29-17;;;/h13-14,20-23,25-28H,1-12,15-16,24H2;2*1H;/q;;;+2/p-2/t20-,21-,22-,23-;;;/m1.../s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C
InChI: InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
SMILES: CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C20H20N2O4S/c1-3-26-19(25)20(2)15-14(16(21-20)13-10-7-11-27-13)17(23)22(18(15)24)12-8-5-4-6-9-12/h4-11,14-16,21H,3H2,1-2H3/t14-,15+,16-,20+/m0/s1
SMILES: CC(C)C1=C2[C@@H]3C=CC(=O)C[C@H]([C@@]3(CC[C@]2(CC1)C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H42O2Si/c1-17(2)19-12-13-24(6)14-15-25(7)20(22(19)24)11-10-18(26)16-21(25)27-28(8,9)23(3,4)5/h10-11,17,20-21H,12-16H2,1-9H3/t20-,21+,24+,25+/m0/s1
SMILES: CCOC1=CC=CC=C1NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C18H20N2O4/c1-2-24-15-10-6-5-9-14(15)19-16(21)11-20-17(22)12-7-3-4-8-13(12)18(20)23/h3-6,9-10,12-13H,2,7-8,11H2,1H3,(H,19,21)/t12-,13-/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@@H]4C5=CC(=C(C=C5CCN4C(=O)OC)OC)OC)C
InChI: InChI=1S/C24H32N2O7S/c1-23(2)15-6-8-24(23)13-34(29,30)26(19(24)11-15)21(27)20-16-12-18(32-4)17(31-3)10-14(16)7-9-25(20)22(28)33-5/h10,12,15,19-20H,6-9,11,13H2,1-5H3/t15-,19-,20+,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(OC)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H25O12P/c1-8(17)23-7-12-13(24-9(2)18)14(25-10(3)19)15(26-11(4)20)16(27-12)28-29(21-5)22-6/h12-16H,7H2,1-6H3/t12-,13-,14+,15-,16+/m1/s1
SMILES: CCCCCC/C=C/[C@H]1C[C@@H]([C@H](N1C(=O)OC(C)(C)C)C=C)S(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C26H39NO4S/c1-7-9-10-11-12-13-14-21-19-24(32(29,30)22-17-15-20(3)16-18-22)23(8-2)27(21)25(28)31-26(4,5)6/h8,13-18,21,23-24H,2,7,9-12,19H2,1,3-6H3/b14-13+/t21-,23+,24-/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)O)C
InChI: InChI=1S/C17H20N2O4/c1-9-7-13(14(17(22)23)8-10(9)2)16(21)19-12-5-3-11(4-6-12)15(18)20/h3-6,13-14H,7-8H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/t13-,14-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=C(C(=CC=C2)OC)OC(C)C)/C#N
InChI: InChI=1S/C21H28N2O3/c1-14(2)26-20-16(9-7-11-19(20)25-4)12-17(13-22)21(24)23-18-10-6-5-8-15(18)3/h7,9,11-12,14-15,18H,5-6,8,10H2,1-4H3,(H,23,24)/b17-12+/t15-,18+/m0/s1
SMILES: CC(C)[C@@H]1[C@H](N[C@@H](C[C@@]1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H29NO/c1-21(2)26-27(24-16-10-5-11-17-24)29-25(23-14-8-4-9-15-23)20-28(26,30)19-18-22-12-6-3-7-13-22/h3-17,21,25-27,29-30H,20H2,1-2H3/t25-,26+,27+,28+/m0/s1
SMILES: CCC1=CC(=CC=C1)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C17H21NO3/c1-2-10-4-3-5-13(8-10)18-16(19)14-11-6-7-12(9-11)15(14)17(20)21/h3-5,8,11-12,14-15H,2,6-7,9H2,1H3,(H,18,19)(H,20,21)/t11-,12+,14-,15+/m1/s1
SMILES: COC1=CC(=C(C=C1)C2=NO[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)F)OC
InChI: InChI=1S/C19H14ClFN2O5/c1-26-10-4-5-11(14(8-10)27-2)16-15-17(28-22-16)19(25)23(18(15)24)9-3-6-12(20)13(21)7-9/h3-8,15,17H,1-2H3/t15-,17+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2C=C[C@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)F
InChI: InChI=1S/C33H31FO3/c34-29-18-16-28(17-19-29)30-20-21-31(35-22-25-10-4-1-5-11-25)33(37-24-27-14-8-3-9-15-27)32(30)36-23-26-12-6-2-7-13-26/h1-21,30-33H,22-24H2/t30-,31-,32+,33+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=S)NC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H26N2O9S/c1-11(24)28-10-16-17(29-12(2)25)18(30-13(3)26)19(31-14(4)27)20(32-16)23-21(33)22-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3,(H2,22,23,33)/t16-,17-,18+,19-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2C[C@@]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI: InChI=1S/C32H30O4/c1-35-26-17-13-22(14-18-26)28-21-32(34,25-11-7-4-8-12-25)30(31(33)24-9-5-3-6-10-24)29(28)23-15-19-27(36-2)20-16-23/h3-20,28-30,34H,21H2,1-2H3/t28-,29-,30-,32+/m1/s1
SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CC(C2=CC(=C(C=C2)O)OC)O
InChI: InChI=1S/C17H25NO8/c1-8(20)18-15-13(26-14(7-19)16(23)17(15)24)6-11(22)9-3-4-10(21)12(5-9)25-2/h3-5,11,13-17,19,21-24H,6-7H2,1-2H3,(H,18,20)/t11?,13-,14-,15+,16+,17-/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCCCCCC2)C3=CC=C(C=C3)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C29H43NO8/c1-3-37-29-24(13-17-35-19-20-36-18-16-31)25(22-9-11-23(12-10-22)28(33)34-2)21-26(38-29)27(32)30-14-7-5-4-6-8-15-30/h9-12,21,24-25,29,31H,3-8,13-20H2,1-2H3/t24-,25+,29+/m0/s1
SMILES: C1C[C@@H]2[C@H](C[C@H]1N2C(=O)C3=CC=CC=C3)C4=CN=C(C=C4)Cl
InChI: InChI=1S/C18H17ClN2O/c19-17-9-6-13(11-20-17)15-10-14-7-8-16(15)21(14)18(22)12-4-2-1-3-5-12/h1-6,9,11,14-16H,7-8,10H2/t14-,15+,16+/m0/s1
SMILES: CC1=CC2=C(C(=C3C(=CC(=CC3=C2OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)O1
InChI: InChI=1S/C22H24O11/c1-8-4-10-15(21(28)31-8)17(25)14-11(20(10)30-3)5-9(29-2)6-12(14)32-22-19(27)18(26)16(24)13(7-23)33-22/h4-6,13,16,18-19,22-27H,7H2,1-3H3/t13-,16-,18+,19-,22-/m1/s1
SMILES: CC[C@@H](C)[C@H]1[C@@H]([C@@H](OC(O1)(C)C)[C@@H](C)C#C)C
InChI: InChI=1S/C15H26O2/c1-8-10(3)13-12(5)14(11(4)9-2)17-15(6,7)16-13/h1,10-14H,9H2,2-7H3/t10-,11+,12+,13-,14-/m0/s1
SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
InChI: InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28+,31+,32-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NC4CC4)N=C(S3)NC5=CC=CC=C5)(C)CO)O
InChI: InChI=1S/C25H33N3O3S/c1-24-11-10-20(30)25(2,14-29)19(24)13-18-22(17(24)12-21(31)26-16-8-9-16)28-23(32-18)27-15-6-4-3-5-7-15/h3-7,16-17,19-20,29-30H,8-14H2,1-2H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1C3=CSC(=C3)C4=NNN=N4)C(=O)O
InChI: InChI=1S/C15H19N5O2S/c21-15(22)12-4-10-3-8(1-2-9(10)6-16-12)11-5-13(23-7-11)14-17-19-20-18-14/h5,7-10,12,16H,1-4,6H2,(H,21,22)(H,17,18,19,20)/t8-,9-,10+,12-/m0/s1
SMILES: C1=CC(=CC(=C1)Br)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C14H12BrNO4/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/t9-,10+,11+,12+/m1/s1
SMILES: CC12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=NC=C6
InChI: InChI=1S/C24H18N2O2/c1-24-17-8-4-2-6-15(17)19(16-7-3-5-9-18(16)24)20-21(24)23(28)26(22(20)27)14-10-12-25-13-11-14/h2-13,19-21H,1H3/t19?,20-,21-,24?/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@H]([C@@H]([C@@H]1C(=O)OC)C2=CC(=CC=C2)O)C(=O)OC)O
InChI: InChI=1S/C17H20O7/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-5-4-6-10(18)7-9/h4-7,12-14,18,22H,8H2,1-3H3/t12-,13-,14+,17-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C
InChI: InChI=1S/C19H30O3.C18H24O2/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h12-15,21H,4-11H2,1-3H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t12-,13+,14-,15-,17-,18-,19-;14-,15-,16+,17+,18+/m01/s1
SMILES: C[C@H](C[C@@H](CC(C)(C)O)O)C1=C2C[C@@H]([C@@H]3[C@@]([C@]2(CC1)C)(CCC([C@]3(C)CCO)C(C)(C)CO)C)O
InChI: InChI=1S/C30H54O5/c1-19(15-20(33)17-27(4,5)35)21-9-11-29(7)22(21)16-23(34)25-28(6,13-14-31)24(26(2,3)18-32)10-12-30(25,29)8/h19-20,23-25,31-35H,9-18H2,1-8H3/t19-,20+,23+,24?,25+,28+,29+,30+/m1/s1
SMILES: C[C@H]1C=CC[C@H]1O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C22H28OSi/c1-18-12-11-17-21(18)23-24(22(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-16,18,21H,17H2,1-4H3/t18-,21+/m0/s1
SMILES: C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@H]4[C@H](O4)[C@H](O3)CO
InChI: InChI=1S/C11H12N4O3/c12-9-5-1-2-15(10(5)14-4-13-9)11-8-7(18-8)6(3-16)17-11/h1-2,4,6-8,11,16H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
SMILES: CCN(CC)P(OCCCC(=O)NC(C)C)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)C
InChI: InChI=1S/C42H55N4O9P/c1-8-45(9-2)56(53-25-13-16-38(47)43-29(3)4)55-36-26-39(46-27-30(5)40(48)44-41(46)49)54-37(36)28-52-42(31-14-11-10-12-15-31,32-17-21-34(50-6)22-18-32)33-19-23-35(51-7)24-20-33/h10-12,14-15,17-24,27,29,36-37,39H,8-9,13,16,25-26,28H2,1-7H3,(H,43,47)(H,44,48,49)/t36-,37+,39+,56?/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CC(=NO4)C5=NC=CC(=C5SC)C#N)C)C)NC(=O)O2)C
InChI: InChI=1S/C43H57N5O11S/c1-12-31-43(8)37(46-41(53)58-43)24(4)33(49)22(2)20-42(7,54-17-13-14-28-19-29(47-59-28)32-36(60-11)27(21-44)15-16-45-32)38(25(5)34(50)26(6)39(52)56-31)57-40-35(51)30(48(9)10)18-23(3)55-40/h15-16,19,22-26,30-31,35,37-38,40,51H,12,17-18,20H2,1-11H3,(H,46,53)/t22-,23-,24+,25+,26-,30+,31-,35-,37-,38-,40+,42+,43-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C=C([C@@H]3[C@H]2OC(O3)(C)C)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H36O6SSi/c1-16-9-11-18(12-10-16)30(24,25)29-19-15-17(20-21(19)28-23(5,6)27-20)13-14-26-31(7,8)22(2,3)4/h9-12,15,19-21H,13-14H2,1-8H3/t19-,20+,21-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCCC1=CC=CC=C1)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O5/c1-14(23-19(25)16-9-5-6-10-17(16)20(23)26)21(27)28-13-18(24)22-12-11-15-7-3-2-4-8-15/h2-8,14,16-17H,9-13H2,1H3,(H,22,24)/t14-,16-,17-/m0/s1
SMILES: C/C(=C\1/C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC)/NO
InChI: InChI=1S/C23H28N2O4/c1-13(24-26)15-12-21-7-8-23(15,28-4)20-22(21)9-10-25(2)17(21)11-14-5-6-16(27-3)19(29-20)18(14)22/h5-8,17,20,24,26H,9-12H2,1-4H3/b15-13+/t17-,20-,21-,22+,23-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN=C1C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H21NO5/c1-3-25-21(23)19-16(14-6-9-17-18(10-14)27-12-26-17)11-22-20(19)13-4-7-15(24-2)8-5-13/h4-10,16,19H,3,11-12H2,1-2H3/t16-,19-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)O)O)O
InChI: InChI=1S/C14H20O8S/c1-8-3-5-9(6-4-8)23(18,19)21-7-10-11(15)12(16)13(17)14(20-2)22-10/h3-6,10-17H,7H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
SMILES: C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@@H]4CC[C@]5(C)O)C)CS3
InChI: InChI=1S/C21H34OS/c1-18-10-11-21(13-23-21)12-14(18)4-5-15-16(18)6-8-19(2)17(15)7-9-20(19,3)22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3
InChI: InChI=1S/C18H17NO2/c1-12(20)13-7-9-15(10-8-13)19-18(21)17-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3,(H,19,21)/t16-,17-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C20H27N3OS/c1-14-7-2-3-8-15(14)21-19(24)13-23-12-6-10-17(23)20-22-16-9-4-5-11-18(16)25-20/h4-5,9,11,14-15,17H,2-3,6-8,10,12-13H2,1H3,(H,21,24)/t14-,15+,17-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC5(C4)OCCO5)C)C
InChI: InChI=1S/C23H34O4/c1-15(24)27-20-7-6-18-17-5-4-16-14-23(25-12-13-26-23)11-10-21(16,2)19(17)8-9-22(18,20)3/h4,17-20H,5-14H2,1-3H3/t17-,18-,19-,20-,21-,22-/m0/s1
SMILES: CC(C)NC(=O)N(CC1=C(C=C(C=C1)OC)OC)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=CO7)C)O
InChI: InChI=1S/C40H52N2O7/c1-25(2)41-35(45)42(23-26-9-10-28(47-5)20-31(26)48-6)24-39(46)16-13-33-37(39,4)15-12-32-36(3)14-11-27(43)21-38(36)17-18-40(32,33)29(22-38)34(44)30-8-7-19-49-30/h7-10,17-20,22,25,27,32-33,43,46H,11-16,21,23-24H2,1-6H3,(H,41,45)/t27?,32-,33-,36-,37+,38+,39-,40-/m1/s1
SMILES: CC1([C@H]2CC[C@@]([C@@]1(C=C2)C3=CC=CC=C3)(C=C)O)C
InChI: InChI=1S/C18H22O/c1-4-17(19)12-10-14-11-13-18(17,16(14,2)3)15-8-6-5-7-9-15/h4-9,11,13-14,19H,1,10,12H2,2-3H3/t14-,17+,18-/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C=C)Br)Br)O
InChI: InChI=1S/C31H24Br2O4/c1-3-18-14-15-23-29(35)21(19-10-6-4-7-11-19)17-25(34)31(23,20-12-8-5-9-13-20)26(18)22-16-24(37-2)30(36)28(33)27(22)32/h3-14,16-17,23,26,36H,1,15H2,2H3/t23-,26+,31-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)NCCCC(=O)O
InChI: InChI=1S/C36H57NO5/c1-22(2)24-13-18-36(31(41)37-21-9-10-29(39)40)20-19-34(7)25(30(24)36)11-12-27-33(6)16-15-28(42-23(3)38)32(4,5)26(33)14-17-35(27,34)8/h24-28,30H,1,9-21H2,2-8H3,(H,37,41)(H,39,40)/t24-,25+,26-,27+,28-,30+,33-,34+,35+,36-/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)CSC3=CC=CC(=C3)OC)C4=CC=CC=C4
InChI: InChI=1S/C24H23NO2S/c1-17-11-13-19(14-12-17)25-23(18-7-4-3-5-8-18)22(24(25)26)16-28-21-10-6-9-20(15-21)27-2/h3-15,22-23H,16H2,1-2H3/t22-,23-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]([C@H]2[C@H]3[C@@H]([C@H](O2)O[Si](C)(C)C(C)(C)C)OC(O3)(C)C)C(=O)OC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C28H54O9Si2/c1-25(2,3)38(12,13)36-19(17-16-31-27(7,8)33-17)18(23(29)30-11)20-21-22(35-28(9,10)34-21)24(32-20)37-39(14,15)26(4,5)6/h17-22,24H,16H2,1-15H3/t17-,18-,19-,20+,21+,22+,24-/m1/s1
SMILES: CCCOC(=O)C1=C(N=C2C[C@H](CC(=O)[C@@H]2[C@@H]1C3=CC(=CC=C3)O)C4=CC=CS4)C
InChI: InChI=1S/C24H25NO4S/c1-3-9-29-24(28)21-14(2)25-18-12-16(20-8-5-10-30-20)13-19(27)23(18)22(21)15-6-4-7-17(26)11-15/h4-8,10-11,16,22-23,26H,3,9,12-13H2,1-2H3/t16-,22-,23-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=C(C=C3)N4CCCC4=O
InChI: InChI=1S/C22H27N3O4/c26-19(11-13-25-21(28)17-4-1-2-5-18(17)22(25)29)23-14-15-7-9-16(10-8-15)24-12-3-6-20(24)27/h7-10,17-18H,1-6,11-14H2,(H,23,26)/t17-,18+
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)O)CC4=CC5=C(C=C4)NN=C5)CC6=CC=CC=C6)O)O
InChI: InChI=1S/C34H34N4O4/c39-28-13-7-12-25(17-28)21-37-30(18-23-8-3-1-4-9-23)32(40)33(41)31(19-24-10-5-2-6-11-24)38(34(37)42)22-26-14-15-29-27(16-26)20-35-36-29/h1-17,20,30-33,39-41H,18-19,21-22H2,(H,35,36)/t30-,31-,32+,33+/m1/s1
SMILES: CCCCC(=O)O[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
InChI: InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27+/m0/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC#CC3=CC=C(C=C3)C(F)(F)F)C(=O)[C@H](CO)O)C)O
InChI: InChI=1S/C27H30F3NO6/c1-17(33)26(2)16-31(25(35)22(34)15-32)14-21(26)19-8-11-23(36-3)24(13-19)37-12-4-5-18-6-9-20(10-7-18)27(28,29)30/h6-11,13,17,21-22,32-34H,12,14-16H2,1-3H3/t17-,21+,22+,26+/m1/s1
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C15H19N3O2S/c1-9-12(3-2-4-14(9)18(19)20)16-15(21)17-13-8-10-5-6-11(13)7-10/h2-4,10-11,13H,5-8H2,1H3,(H2,16,17,21)/t10-,11+,13-/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)N)O)C
InChI: InChI=1S/C16H24N2O4S/c1-16(2)15(19)14(17)12-10-11(6-7-13(12)22-16)23(20,21)18-8-4-3-5-9-18/h6-7,10,14-15,19H,3-5,8-9,17H2,1-2H3/t14-,15+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2CC(=O)NC3=CC=C(C=C3)N4CCCC4=O
InChI: InChI=1S/C21H29N3O2/c25-20(15-23-13-3-6-16-5-1-2-7-19(16)23)22-17-9-11-18(12-10-17)24-14-4-8-21(24)26/h9-12,16,19H,1-8,13-15H2,(H,22,25)/t16-,19-/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O)O
InChI: InChI=1S/C9H12N2O6/c12-4-3-17-8(7(15)6(4)14)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8+/m1/s1
SMILES: C[C@@H]1C[C@H]1[C@H](C)CC[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[Si](C)(C)C(C)(C)C)C)C)O
InChI: InChI=1S/C35H62O2Si/c1-23(28-21-24(28)2)15-20-35(8,36)31-14-13-29-27-12-11-25-22-26(37-38(9,10)32(3,4)5)16-18-33(25,6)30(27)17-19-34(29,31)7/h11,23-24,26-31,36H,12-22H2,1-10H3/t23-,24-,26+,27+,28+,29+,30+,31+,33+,34+,35+/m1/s1
SMILES: CCCOC(=O)C1=C(N=C2C[C@H]([C@@H](C(=O)[C@@H]2[C@@H]1C3=CC=CC=C3F)C(=O)OC)C)C
InChI: InChI=1S/C23H26FNO5/c1-5-10-30-23(28)18-13(3)25-16-11-12(2)17(22(27)29-4)21(26)20(16)19(18)14-8-6-7-9-15(14)24/h6-9,12,17,19-20H,5,10-11H2,1-4H3/t12-,17+,19-,20+/m1/s1
SMILES: CC[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OC)C)O)C(C)C
InChI: InChI=1S/C30H52O3/c1-8-20(18(2)3)15-26(32)19(4)23-9-10-24-28-25(12-14-30(23,24)6)29(5)13-11-22(31)16-21(29)17-27(28)33-7/h17-20,22-28,31-32H,8-16H2,1-7H3/t19-,20+,22-,23+,24-,25-,26+,27-,28-,29-,30+/m0/s1
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C.[Ca+2]
InChI: InChI=1S/C25H40O6.Ca/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+2/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
SMILES: CCC1=CC=C(C=C1)NC(=S)NNC(=S)N[C@@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C18H28N4S2/c1-4-14-8-10-15(11-9-14)19-17(23)21-22-18(24)20-16-7-5-6-12(2)13(16)3/h8-13,16H,4-7H2,1-3H3,(H2,19,21,23)(H2,20,22,24)/t12-,13+,16-/m1/s1