EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CN(C(=O)N(C1=O)CCC2=CC=CC=C2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H51N3O8SSi2/c1-22-19-35(29(37)34(27(22)36)18-17-23-15-13-12-14-16-23)28-26(42-46(10,11)31(5,6)7)32(24(33)21-44(38,39)43-32)25(41-28)20-40-45(8,9)30(2,3)4/h12-16,19,21,25-26,28H,17-18,20,33H2,1-11H3/t25-,26+,28-,32?/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=C(C=C3)OC(F)(F)F)C[C@H](COCC4=CC=CC=C4)O)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6CCCCC6)C
InChI: InChI=1S/C47H60F3NO6/c1-33-10-9-24-45(2)43(41-22-18-36(26-38(52)19-15-33)27-42(41)44(54)37-13-7-4-8-14-37)23-25-46(45,55)32-51(28-34-16-20-40(21-17-34)57-47(48,49)50)29-39(53)31-56-30-35-11-5-3-6-12-35/h3,5-6,10-12,16-18,20-22,27,37-39,43,52-53,55H,4,7-9,13-15,19,23-26,28-32H2,1-2H3/t38-,39+,43-,45-,46+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3
InChI: InChI=1S/C19H18O3S/c1-2-22-19(21)18-15(13-7-4-3-5-8-13)11-14(12-16(18)20)17-9-6-10-23-17/h3-10,12,15,18H,2,11H2,1H3/t15-,18+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=CO3
InChI: InChI=1S/C17H23N3O3S/c1-10-6-4-7-13(11(10)2)18-15(21)12(3)24-17-20-19-16(23-17)14-8-5-9-22-14/h5,8-13H,4,6-7H2,1-3H3,(H,18,21)/t10-,11-,12-,13+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CNC(C)(CO)CO
InChI: InChI=1S/C19H31NO4/c1-12-5-4-6-18(2)8-16-13(7-15(12)18)14(17(23)24-16)9-20-19(3,10-21)11-22/h13-16,20-22H,1,4-11H2,2-3H3/t13-,14-,15+,16-,18-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=CC=C2)O)C/C=C/CCCC(=O)N)O
InChI: InChI=1S/C23H33NO4/c24-23(28)11-7-2-1-6-10-19-20(22(27)16-21(19)26)15-14-18(25)13-12-17-8-4-3-5-9-17/h1,3-6,8-9,14-15,18-22,25-27H,2,7,10-13,16H2,(H2,24,28)/b6-1+,15-14+/t18-,19+,20+,21-,22+/m0/s1
SMILES: C[C@@H]1CC(=O)C=C([C@@]1(C)[C@@H]2C[C@H]3CCO[C@H]3O2)CCCC4OCCO4
InChI: InChI=1S/C20H30O5/c1-13-10-16(21)12-15(4-3-5-18-22-8-9-23-18)20(13,2)17-11-14-6-7-24-19(14)25-17/h12-14,17-19H,3-11H2,1-2H3/t13-,14-,17+,19+,20+/m1/s1
SMILES: CC(=O)N1[C@@H]2[C@@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@H]4[C@@H]3OC(N4C(=O)C)(C)C)SC5=CC=CC=C5)COCC6=CC=CC=C6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OC1(C)C
InChI: InChI=1S/C49H58N2O10S/c1-32(52)50-40-44(60-48(50,3)4)42(56-29-36-23-15-9-16-24-36)38(30-54-27-34-19-11-7-12-20-34)57-46(40)59-43-39(31-55-28-35-21-13-8-14-22-35)58-47(62-37-25-17-10-18-26-37)41-45(43)61-49(5,6)51(41)33(2)53/h7-26,38-47H,27-31H2,1-6H3/t38-,39-,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2C[C@@H](CC[C@H]2O)N=[N+]=[N-]
InChI: InChI=1S/C13H17N3O2/c1-18-11-5-2-9(3-6-11)12-8-10(15-16-14)4-7-13(12)17/h2-3,5-6,10,12-13,17H,4,7-8H2,1H3/t10-,12+,13-/m1/s1
SMILES: C1=CC(=CN=C1)[C@@H]2[C@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3
InChI: InChI=1S/C15H12F3N3O3S/c16-15(17,18)14(24)10(12(22)9-4-2-6-25-9)11(20-13(23)21-14)8-3-1-5-19-7-8/h1-7,10-11,24H,(H2,20,21,23)/t10-,11+,14+/m0/s1
SMILES: C[C@]1(CC[C@H]2[C@H]1C[C@H]3[C@H](CC2=C)OC(=O)C3=C)O
InChI: InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h10-13,17H,1-2,4-7H2,3H3/t10-,11-,12-,13+,15-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)N)N.C(CC(C(=O)[O-])C(=O)[O-])CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O.[Pt+2]
InChI: InChI=1S/C13H21NO10.C6H14N2.Pt/c15-4-6-9(17)10(18)8(13(23)24-6)14-7(16)3-1-2-5(11(19)20)12(21)22;7-5-3-1-2-4-6(5)8;/h5-6,8-10,13,15,17-18,23H,1-4H2,(H,14,16)(H,19,20)(H,21,22);5-6H,1-4,7-8H2;/q;;+2/p-2/t6-,8-,9-,10-,13?;5-,6-;/m11./s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(O5)NCCN6CCCC6
InChI: InChI=1S/C34H47N5O8S/c1-23(2)20-39(48(42,43)25-10-11-27-30(19-25)46-33(36-27)35-13-16-38-14-6-7-15-38)21-29(40)28(18-24-8-4-3-5-9-24)37-34(41)47-31-22-45-32-26(31)12-17-44-32/h3-5,8-11,19,23,26,28-29,31-32,40H,6-7,12-18,20-22H2,1-2H3,(H,35,36)(H,37,41)/t26-,28-,29+,31-,32+/m0/s1
SMILES: COC(=O)/C=C/C=C/[C@@H]1[C@@H]2[C@H](CS1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H26N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-15,21-22,24H,16-18H2,1H3/b14-8+,15-9+/t21-,22+,24-/m0/s1
SMILES: C(CC(C(=O)O)C(=O)O)COC1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H20O10/c13-4-6-7(14)8(15)9(16)12(22-6)21-3-1-2-5(10(17)18)11(19)20/h5-9,12-16H,1-4H2,(H,17,18)(H,19,20)/t6-,7-,8+,9+,12?/m1/s1
SMILES: C1CC2(CCC1[C@@H]([C@H]2C(=O)O)C(=O)O)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C17H19NO5/c19-14(20)12-10-6-8-17(9-7-10,13(12)15(21)22)16(23)18-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,18,23)(H,19,20)(H,21,22)/t10?,12-,13-,17?/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C16H21Cl2NO2/c1-10-5-3-4-6-14(10)19-16(20)11(2)21-15-8-7-12(17)9-13(15)18/h7-11,14H,3-6H2,1-2H3,(H,19,20)/t10-,11-,14-/m0/s1
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-]
InChI: InChI=1S/C20H23N3O4/c1-11-17(19(25)23(22(11)2)14-6-4-3-5-7-14)21-18(24)15-12-8-9-13(10-12)16(15)20(26)27/h3-7,12-13,15-16H,8-10H2,1-2H3,(H,21,24)(H,26,27)/p-1/t12-,13+,15-,16+/m1/s1
SMILES: CC1=C(C(=O)OC(C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@H]([C@@]5([C@@]4(C(=O)CC[C@@H]5O)CO)O)O)C)COC(=O)C
InChI: InChI=1S/C30H44O9/c1-15-11-23(39-27(36)19(15)13-38-17(3)32)16(2)20-5-6-21-18-12-26(35)30(37)25(34)8-7-24(33)29(30,14-31)22(18)9-10-28(20,21)4/h16,18,20-23,25-26,31,34-35,37H,5-14H2,1-4H3/t16-,18-,20+,21-,22-,23?,25-,26+,28+,29-,30-/m0/s1
SMILES: C[C@H]([C@H]1[C@H](ON([C@H]1C(=O)NCCCOC(C)C)CC2=CC=C(C=C2)I)CO)O
InChI: InChI=1S/C20H31IN2O5/c1-13(2)27-10-4-9-22-20(26)19-18(14(3)25)17(12-24)28-23(19)11-15-5-7-16(21)8-6-15/h5-8,13-14,17-19,24-25H,4,9-12H2,1-3H3,(H,22,26)/t14-,17-,18+,19-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CCC(=O)OC)CO)O)O
InChI: InChI=1S/C11H20O6/c1-6-10(14)11(15)7(5-12)8(17-6)3-4-9(13)16-2/h6-8,10-12,14-15H,3-5H2,1-2H3/t6-,7-,8-,10-,11-/m0/s1
SMILES: C[C@H]([C@@H](COC(=O)C1=CC=CC=C1)OS(=O)(=O)C)[C@@H](/C(=C/[C@@H]2CC[C@H]([C@@H](C2)OC)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)/C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C45H66O8SSi2/c1-33(42(53-55(11,12)44(3,4)5)34(2)41(51-54(10,47)48)32-50-43(46)36-22-16-13-17-23-36)30-35-28-29-39(40(31-35)49-9)52-56(45(6,7)8,37-24-18-14-19-25-37)38-26-20-15-21-27-38/h13-27,30,34-35,39-42H,28-29,31-32H2,1-12H3/b33-30+/t34-,35+,39-,40-,41-,42-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@H](CCCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)O)C(=O)O
InChI: InChI=1S/C25H31N3O8S/c1-25(2,3)15-9-7-13(8-10-15)20(31)26-16(23(33)34)5-4-6-17(30)27-18-21(32)28-19(24(35)36)14(11-29)12-37-22(18)28/h7-10,16,18,22,29H,4-6,11-12H2,1-3H3,(H,26,31)(H,27,30)(H,33,34)(H,35,36)/t16-,18-,22-/m1/s1
SMILES: C1CC2=CC=CC3=C4C5=CC=CC6=C5C(=CC=C6)C4=C7C=CC=C1[C@@H]7[C@@H]23
InChI: InChI=1S/C26H18/c1-5-15-6-2-10-19-22(15)18(9-1)25-20-11-3-7-16-13-14-17-8-4-12-21(26(19)25)24(17)23(16)20/h1-12,23-24H,13-14H2/t23-,24-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=NC=C4S3)C(=O)OCOC(=O)C5(CCCCC5)C)[C@@H](C)O
InChI: InChI=1S/C24H29N3O6S/c1-13-17(15-10-26-11-25-9-16(26)34-15)20(27-19(13)18(14(2)28)21(27)29)22(30)32-12-33-23(31)24(3)7-5-4-6-8-24/h9-11,13-14,18-19,28H,4-8,12H2,1-3H3/t13-,14+,18+,19+/m0/s1
SMILES: C1[C@@H]2[C@@H](C(=O)N2C(S1)(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)NC(=O)CC5=CC=CC=C5
InChI: InChI=1S/C29H26N2O6S/c32-24(16-20-10-4-1-5-11-20)30-25-23-19-38-29(31(23)26(25)33,27(34)36-17-21-12-6-2-7-13-21)28(35)37-18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2,(H,30,32)/t23-,25+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3O)CCC=C2C)C(=O)O
InChI: InChI=1S/C20H28O5/c1-12-7-10-20(18(23)24)13(2)5-4-6-15(20)19(12,3)9-8-14-11-16(21)25-17(14)22/h5,11-12,15,17,22H,4,6-10H2,1-3H3,(H,23,24)/t12-,15-,17?,19+,20-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O
InChI: InChI=1S/C12H20O10/c13-3-11-10(18)8(16)6(22-11)2-20-12(4-14)9(17)7(15)5(21-12)1-19-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
SMILES: CC1=CC2=C([C@@H]3[C@H]4[C@@H]5C6=C(C(=C7C(=C6[C@H](N4[C@H]([C@H](C2)N3C)C#N)COC(=O)[C@@]8(C[S@@]5=O)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
InChI: InChI=1S/C40H42N4O11S/c1-17-9-21-10-23-24(13-41)44-25-14-52-39(48)40(22-12-27(50-5)26(46)11-20(22)7-8-42-40)15-56(49)38(32(44)31(43(23)4)28(21)33(47)34(17)51-6)30-29(25)37-36(53-16-54-37)18(2)35(30)55-19(3)45/h9,11-12,23-25,31-32,38,42,46-47H,7-8,10,14-16H2,1-6H3/t23-,24-,25+,31+,32-,38-,40+,56-/m0/s1
SMILES: COC(=O)N1CCC(CC1)CC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NCC5CC5)O)O)N
InChI: InChI=1S/C24H31N7O6/c1-36-24(35)30-9-7-13(8-10-30)3-2-4-15-28-20(25)16-21(29-15)31(12-27-16)23-18(33)17(32)19(37-23)22(34)26-11-14-5-6-14/h12-14,17-19,23,32-33H,3,5-11H2,1H3,(H,26,34)(H2,25,28,29)/t17-,18+,19-,23+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)SC1)C(=O)O
InChI: InChI=1S/C22H23ClN2O6S/c1-12(26)31-10-13-11-32-19-16(18(27)25(19)17(13)20(28)29)24-21(30)22(8-2-3-9-22)14-4-6-15(23)7-5-14/h4-7,16,19H,2-3,8-11H2,1H3,(H,24,30)(H,28,29)/t16-,19-/m1/s1
SMILES: CC1=C[C@H]2[C@H]([C@](C3(CC3)C(=C2C1=O)C)(C)O)OC(=O)C
InChI: InChI=1S/C16H20O4/c1-8-7-11-12(13(8)18)9(2)16(5-6-16)15(4,19)14(11)20-10(3)17/h7,11,14,19H,5-6H2,1-4H3/t11-,14-,15+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)[C@H](C1)O)OC(=O)C)OC(=O)C)C)O)OC(=O)C
InChI: InChI=1S/C26H38O8/c1-12-11-17(30)21-22(33-15(4)28)20-13(2)18(32-14(3)27)9-10-26(20,8)24(31)23(34-16(5)29)19(12)25(21,6)7/h17-18,20-24,30-31H,2,9-11H2,1,3-8H3/t17-,18-,20-,21-,22-,23+,24-,26+/m0/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(=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=CC=CC=C6OC
InChI: InChI=1S/C40H34F5NO5S/c1-22-30(21-52-31-9-4-3-8-29(31)49-2)50-40(51-38(22)26-12-10-23(20-47)11-13-26)27-16-14-25(15-17-27)28-7-5-6-24(18-28)19-46-39(48)32-33(41)35(43)37(45)36(44)34(32)42/h3-18,22,30,38,40,47H,19-21H2,1-2H3,(H,46,48)/t22-,30+,38+,40+/m0/s1
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)OC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C
InChI: InChI=1S/C22H23N3O7S/c1-4-31-22(30)16-10(2)15-18(27)23-17(24-19(15)33-16)11(3)32-14(26)9-25-20(28)12-7-5-6-8-13(12)21(25)29/h5-6,11-13H,4,7-9H2,1-3H3,(H,23,24,27)/t11-,12-,13+/m0/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH+]5CCN(CC5)C6=NC=CC=N6)C
InChI: InChI=1S/C23H32N4O3/c1-15-5-3-6-22(2)13-17-18(19-23(15,22)30-19)16(20(28)29-17)14-26-9-11-27(12-10-26)21-24-7-4-8-25-21/h4,7-8,15-19H,3,5-6,9-14H2,1-2H3/p+1/t15-,16+,17+,18+,19-,22+,23-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@]([C@]13CC[C@@](O3)(C)CO)(CC[C@H]([C@]2(C)CO)O)C
InChI: InChI=1S/C19H34O4/c1-13-5-6-14-17(3,12-21)15(22)7-8-18(14,4)19(13)10-9-16(2,11-20)23-19/h13-15,20-22H,5-12H2,1-4H3/t13-,14+,15+,16-,17+,18-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC(C)C)NC(=O)[C@@H]3[C@H]4CC[C@@H]([C@@H]3C(=O)[O-])O4)C
InChI: InChI=1S/C24H27NO6S/c1-11(2)30-24(29)20-17(14-7-5-12(3)6-8-14)13(4)32-22(20)25-21(26)18-15-9-10-16(31-15)19(18)23(27)28/h5-8,11,15-16,18-19H,9-10H2,1-4H3,(H,25,26)(H,27,28)/p-1/t15-,16+,18-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H23N3O5/c1-12-5-3-4-6-15(12)20-16(23)11-21-17(24)18(25)22(19(21)26)13-7-9-14(27-2)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3,(H,20,23)/t12-,15+/m0/s1
SMILES: CC1=CC=CC=C1SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NCCC5=CC=CC=C5)O)O
InChI: InChI=1S/C25H27N5O3S/c1-16-7-5-6-10-19(16)34-13-18-21(31)22(32)25(33-18)30-15-29-20-23(27-14-28-24(20)30)26-12-11-17-8-3-2-4-9-17/h2-10,14-15,18,21-22,25,31-32H,11-13H2,1H3,(H,26,27,28)/t18-,21-,22-,25-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2CC#C)C[C@@H]1C3=CC=C(C=C3)I
InChI: InChI=1S/C18H20INO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h1,4-7,14-17H,8-11H2,2H3/t14-,15+,16+,17-/m0/s1
SMILES: CS(=O)(=O)C1=CC=C(C=C1)CN2CCC3(C2=O)CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6=CN=CC=C6
InChI: InChI=1S/C33H38N4O4S/c1-42(40,41)29-11-9-25(10-12-29)21-36-19-15-33(32(36)39)13-17-35(18-14-33)22-28-23-37(31(38)27-8-5-16-34-20-27)24-30(28)26-6-3-2-4-7-26/h2-12,16,20,28,30H,13-15,17-19,21-24H2,1H3/t28-,30+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H]([C@@H](C4=CC=CC=C34)O)O)O
InChI: InChI=1S/C33H40N2O6/c1-33(2,3)41-32(40)34-26(19-22-14-8-5-9-15-22)27(36)20-23(18-21-12-6-4-7-13-21)31(39)35-28-24-16-10-11-17-25(24)29(37)30(28)38/h4-17,23,26-30,36-38H,18-20H2,1-3H3,(H,34,40)(H,35,39)/t23-,26-,27-,28-,29+,30-/m0/s1
SMILES: CCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)ON1C4=CC=CC=C4
InChI: InChI=1S/C20H18Cl2N2O3/c1-2-6-16-17-18(27-24(16)12-7-4-3-5-8-12)20(26)23(19(17)25)13-9-10-14(21)15(22)11-13/h3-5,7-11,16-18H,2,6H2,1H3/t16-,17+,18-/m0/s1
SMILES: C[C@]12CCC3=NON=C3[C@H]1CC[C@@H]4C2CC[C@]5(C4CC(=NO)C5=O)C
InChI: InChI=1S/C19H25N3O3/c1-18-8-6-14-16(22-25-21-14)12(18)4-3-10-11(18)5-7-19(2)13(10)9-15(20-24)17(19)23/h10-13,24H,3-9H2,1-2H3/t10-,11?,12-,13?,18-,19+/m1/s1
SMILES: C[C@]12[C@@H](C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)CC6=CC=CC=C6
InChI: InChI=1S/C26H21NO2/c1-26-22-19-13-7-5-11-17(19)21(18-12-6-8-14-20(18)22)23(26)24(28)27(25(26)29)15-16-9-3-2-4-10-16/h2-14,21-23H,15H2,1H3/t21?,22?,23-,26+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC[C@@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H36N2O13/c1-14(28-27(35)38-12-19-10-8-7-9-11-19)24(33)29-20(25(34)36-6)13-37-26-23(42-18(5)32)22(41-17(4)31)21(15(2)39-26)40-16(3)30/h7-11,14-15,20-23,26H,12-13H2,1-6H3,(H,28,35)(H,29,33)/t14-,15-,20-,21+,22+,23-,26-/m0/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)[18O][C@@H]1[C@H]([C@]2([18O][C@@H]([C@]([C@@]1([18O]2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)[18O]C(=O)C)[18OH]
InChI: InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1/i38+2,46+2,47+2,48+2,49+2
SMILES: CC1=CC(=CC(=C1)N2C[C@@H](CC2=O)C(=O)OC3=CC=C(C=C3)N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)C
InChI: InChI=1S/C27H26N2O5/c1-16-11-17(2)13-20(12-16)28-15-18(14-24(28)30)27(33)34-21-9-7-19(8-10-21)29-25(31)22-5-3-4-6-23(22)26(29)32/h3-4,7-13,18,22-23H,5-6,14-15H2,1-2H3/t18-,22-,23+/m1/s1
SMILES: CCOC(=O)C1=C(N2CCCO[C@]2([C@@H]([C@H]1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C)C
InChI: InChI=1S/C21H26N2O7/c1-5-29-19(24)16-13(2)22-10-7-11-30-21(22,3)18(20(25)28-4)17(16)14-8-6-9-15(12-14)23(26)27/h6,8-9,12,17-18H,5,7,10-11H2,1-4H3/t17-,18-,21-/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=C4[C@H]([C@H](C=CC4=CN=C32)O)O
InChI: InChI=1S/C17H13NO2/c19-14-8-6-11-9-18-16-12-4-2-1-3-10(12)5-7-13(16)15(11)17(14)20/h1-9,14,17,19-20H/t14-,17-/m0/s1
SMILES: C1C=C2[C@@]3(N2C=C1C(=O)[OH2+])[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=NC6=C5N=CN=C6N7OO7)OP(=O)(O)O)O)O)O
InChI: InChI=1S/C21H25N6O20P3/c28-13-9(42-19(15(13)44-48(33,34)35)25-7-24-12-17(25)22-6-23-18(12)27-45-46-27)4-40-49(36,37)47-50(38,39)41-5-10-14(29)16(30)21(43-10)11-2-1-8(20(31)32)3-26(11)21/h2-3,6-7,9-10,13-16,19,28-30H,1,4-5H2,(H,31,32)(H,36,37)(H,38,39)(H2,33,34,35)/p+1/t9-,10-,13-,14-,15-,16-,19+,21+,26?/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2CC(=O)NC3=CC=C(C=C3)N4C=C(C=N4)Cl
InChI: InChI=1S/C18H20ClN3O/c19-15-10-20-22(11-15)17-5-3-16(4-6-17)21-18(23)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,21,23)/t12-,13-,14-/m0/s1
SMILES: CC1=CC=CC=C1OCC(=O)N2[C@@]([C@H]3CCCCC3=N2)(C(F)(F)F)O
InChI: InChI=1S/C17H19F3N2O3/c1-11-6-2-5-9-14(11)25-10-15(23)22-16(24,17(18,19)20)12-7-3-4-8-13(12)21-22/h2,5-6,9,12,24H,3-4,7-8,10H2,1H3/t12-,16+/m0/s1
SMILES: C1=CC(=CC=C1C2=NO[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)F)F
InChI: InChI=1S/C17H10F2N2O3/c18-10-3-1-9(2-4-10)14-13-15(24-20-14)17(23)21(16(13)22)12-7-5-11(19)6-8-12/h1-8,13,15H/t13-,15-/m0/s1
SMILES: CCS(=O)(=O)CCC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SOC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H28O11S2/c1-6-31(23,24)9-7-8-14-15(25-10(2)19)16(26-11(3)20)17(27-12(4)21)18(28-14)30-29-13(5)22/h14-18H,6-9H2,1-5H3/t14-,15-,16+,17-,18+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)N/N=C(/C)\C2=C(OC(=C2)CCC(=O)[O-])C
InChI: InChI=1S/C18H27N3O3S/c1-11-6-4-5-7-16(11)19-18(25)21-20-12(2)15-10-14(24-13(15)3)8-9-17(22)23/h10-11,16H,4-9H2,1-3H3,(H,22,23)(H2,19,21,25)/p-1/b20-12-/t11-,16+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@H]([C@@H]1P(=O)(OC)OC)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)OC
InChI: InChI=1S/C27H33N2O9P/c1-27(2,3)38-26(33)29-20(25(32)35-4)15-17(24(29)39(34,36-5)37-6)13-14-28-22(30)18-11-7-9-16-10-8-12-19(21(16)18)23(28)31/h7-12,17,20,24H,13-15H2,1-6H3/t17-,20+,24+/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)CN7CCN(CC7)CC8=CC=CC=C8
InChI: InChI=1S/C49H52N4O7/c1-34-44(31-52-26-24-51(25-27-52)29-35-10-4-2-5-11-35)59-48(60-46(34)39-18-16-36(32-54)17-19-39)40-22-20-38(21-23-40)42-15-9-8-14-41(42)30-53-45(55)28-43(47(53)56)50-49(57)58-33-37-12-6-3-7-13-37/h2-23,34,43-44,46,48,54H,24-33H2,1H3,(H,50,57)/t34-,43?,44+,46+,48+/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@](C[C@@]3([C@]5([C@]2([C@@H]1O)O4)O)O)(C(C)C)O)C)O)C)O
InChI: InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3/t11-,12+,13-,14-,15-,16-,17+,18-,19+,20+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)O[C@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O)O)O)O
InChI: InChI=1S/C21H24O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-6,8,16-28H,7H2,1H3/t8-,16-,17-,18+,19+,20+,21?/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C
InChI: InChI=1S/C21H26N4O4/c1-14-5-3-4-6-18(14)23-21(28)24-19(26)13-29-20(27)16-7-9-17(10-8-16)25-15(2)11-12-22-25/h7-12,14,18H,3-6,13H2,1-2H3,(H2,23,24,26,28)/t14-,18+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
InChI: InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13-,15+,22-,23+/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]\4([C@@H]3CC/C4=N/NC(=O)N)C)O
InChI: InChI=1S/C20H33N3O2/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h12-16,24H,3-11H2,1-2H3,(H3,21,23,25)/b22-17-/t12-,13+,14-,15+,16-,19-,20-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)O
InChI: InChI=1S/C28H19Cl2F5N2O6/c1-8-5-10(6-9(2)22(8)38)15-11-3-4-12-14(24(40)37(43)23(12)39)13(11)7-27(29)25(41)36(26(42)28(15,27)30)21-19(34)17(32)16(31)18(33)20(21)35/h3,5-6,12-15,38,43H,4,7H2,1-2H3/t12-,13+,14-,15-,27+,28-/m0/s1
SMILES: CCC(=O)O[C@H]1CC2=C[C@H]([C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(C=C1)C)C)O
InChI: InChI=1S/C22H30O4/c1-4-19(25)26-14-7-9-21(2)13(11-14)12-17(23)20-15-5-6-18(24)22(15,3)10-8-16(20)21/h7,9,12,14-17,20,23H,4-6,8,10-11H2,1-3H3/t14-,15+,16+,17-,20+,21+,22+/m1/s1
SMILES: COC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)[C@@H]4[C@H](CCN4C3=O)NC(=O)NC5CCCCC5
InChI: InChI=1S/C26H30N4O4/c1-34-19-10-7-16(8-11-19)17-9-12-21-20(15-17)25(32)30-14-13-22(23(30)24(31)28-21)29-26(33)27-18-5-3-2-4-6-18/h7-12,15,18,22-23H,2-6,13-14H2,1H3,(H,28,31)(H2,27,29,33)/t22-,23-/m0/s1
SMILES: C[C@@H]([C@H]1[C@@H](C(=O)OC1(C)C)C(=O)OC)C(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H20O5/c1-10(14(18)11-8-6-5-7-9-11)13-12(15(19)21-4)16(20)22-17(13,2)3/h5-10,12-13H,1-4H3/t10-,12+,13-/m0/s1
SMILES: CC1=CC2=C(C=C1)N(C=C2)C[C@@H]3C/C=C/[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)N[C@@H](C(=O)NC3)CC(=O)N)CC(=O)O)C5=CC=C(C=C5)C(C(=O)O)C(=O)O
InChI: InChI=1S/C40H47N5O10/c1-23-8-13-31-27(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-26(12-10-25)34(37(51)52)38(53)54)29(19-33(47)48)35(49)44-40(15-3-2-4-16-40)39(55)43-30(20-32(41)46)36(50)42-21-24/h5,7-14,17-18,24,28-30,34H,2-4,6,15-16,19-22H2,1H3,(H2,41,46)(H,42,50)(H,43,55)(H,44,49)(H,47,48)(H,51,52)(H,53,54)/b7-5+/t24-,28-,29+,30-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-23,25,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,25+,26+,27-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C17H21Cl2NO3/c1-11-4-2-3-5-15(11)20-16(21)10-23-17(22)8-12-6-7-13(18)9-14(12)19/h6-7,9,11,15H,2-5,8,10H2,1H3,(H,20,21)/t11-,15+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C23H22N2O6S/c1-13(26)24-16-8-10-17(11-9-16)32(29,30)31-19-5-3-2-4-18(19)25-22(27)20-14-6-7-15(12-14)21(20)23(25)28/h2-5,8-11,14-15,20-21H,6-7,12H2,1H3,(H,24,26)/t14-,15-,20-,21-/m0/s1
SMILES: CC(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
InChI: InChI=1S/C12H23NO6/c1-6(2)5-18-12-9(13-7(3)15)11(17)10(16)8(4-14)19-12/h6,8-12,14,16-17H,4-5H2,1-3H3,(H,13,15)/t8-,9-,10-,11-,12-/m1/s1
SMILES: CC(=C)C(CC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)O)C)O)O
InChI: InChI=1S/C30H52O4/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-25,31-34H,1,9-17H2,2-8H3/t19-,20?,21+,22-,23+,24+,25-,27-,28+,29+,30-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1COC(=O)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C13H17NO6/c1-5-8(4-20-7(3)16)11(13(18)19)14-10(5)9(6(2)15)12(14)17/h5-6,9-10,15H,4H2,1-3H3,(H,18,19)/t5-,6+,9+,10+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI: InChI=1S/C27H30O17/c1-7-16(33)24(43-26-21(38)20(37)18(35)14(6-28)42-26)22(39)27(40-7)44-25-19(36)15-10(30)4-9(29)5-13(15)41-23(25)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,24,26-35,37-39H,6H2,1H3/t7-,14+,16-,18+,20-,21+,22+,24+,26+,27-/m0/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC[C@@H](C8=CC=CC=C8)O)C(=O)OC
InChI: InChI=1S/C51H47N3O11/c1-62-47(58)37(48(59)63-2)23-12-14-31-24-25-39-38(28-31)51(50(61)53-39)41(46(57)52-30-40(56)32-15-6-3-7-16-32)43-49(60)65-44(34-19-10-5-11-20-34)42(33-17-8-4-9-18-33)54(43)45(51)35-21-13-22-36(29-35)64-27-26-55/h3-11,13,15-22,24-25,28-29,37,40-45,55-56H,23,26-27,30H2,1-2H3,(H,52,57)(H,53,61)/t40-,41+,42+,43+,44-,45-,51+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCCN3C(N4CCC[C@@H]4C3=O)C5CC5)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C21H29N3O5S/c1-10-15-14(11(2)25)20(27)24(15)16(21(28)29)17(10)30-9-8-23-18(12-5-6-12)22-7-3-4-13(22)19(23)26/h10-15,18,25H,3-9H2,1-2H3,(H,28,29)/t10-,11-,13-,14-,15-,18?/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)N(CC(=O)C3=CC=CS3)C(=O)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C21H18Cl2N2O4S/c22-12-7-8-15(16(23)10-12)19(27)24(11-17(26)18-6-3-9-30-18)25-20(28)13-4-1-2-5-14(13)21(25)29/h3,6-10,13-14H,1-2,4-5,11H2/t13-,14-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C23H28N2O3/c1-16-9-8-13-20(17(16)2)25-22(26)15-28-21-14-7-6-12-19(21)23(27)24-18-10-4-3-5-11-18/h3-7,10-12,14,16-17,20H,8-9,13,15H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,20-/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=C(C=C5)C=CCC6=CC=CC=C6O)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C41H55N3O9/c1-3-5-9-21-40(22-10-6-4-2)51-34-32-26-41(39(49)43-23-20-33(47)42-24-25-45)36(38(48)50-32)44(53-37(41)35(34)52-40)27-29-18-16-28(17-19-29)12-11-14-30-13-7-8-15-31(30)46/h7-8,11-13,15-19,32,34-37,45-46H,3-6,9-10,14,20-27H2,1-2H3,(H,42,47)(H,43,49)/t32-,34+,35+,36+,37-,41+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](NC2(C)C)C3=CC=CC=C3
InChI: InChI=1S/C17H25NO/c1-12-9-10-14-15(11-12)19-16(18-17(14,2)3)13-7-5-4-6-8-13/h4-8,12,14-16,18H,9-11H2,1-3H3/t12-,14-,15-,16+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP3(=O)OC(OP(=O)(O3)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)(F)F)O)O
InChI: InChI=1S/C19H23F2N4O20P3/c20-19(21)42-47(36,39-6-8-12(29)14(31)16(41-8)25-4-2-10(27)23-18(25)33)45-48(37,43-19)44-46(34,35)38-5-7-11(28)13(30)15(40-7)24-3-1-9(26)22-17(24)32/h1-4,7-8,11-16,28-31H,5-6H2,(H,34,35)(H,22,26,32)(H,23,27,33)/t7-,8-,11-,12-,13-,14-,15-,16-,47?,48?/m1/s1