EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C23H23ClN4/c1-22(2,3)15-7-8-17-18(10-15)20(14-5-4-6-16(24)9-14)23(12-26,13-27)21(28)19(17)11-25/h4-6,8-9,15,18-20,28H,7,10H2,1-3H3/t15-,18-,19?,20-/m0/s1
SMILES: CC(C)[Si]1(OC[C@H]([C@@H](O[Si](O1)(C(C)C)C(C)C)CC(C2=CN=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)O)O)C(C)C
InChI: InChI=1S/C36H54N2O5Si2/c1-26(2)44(27(3)4)41-25-34(40)35(42-45(43-44,28(5)6)29(7)8)21-33(39)32-19-20-36(37-22-32)38(23-30-15-11-9-12-16-30)24-31-17-13-10-14-18-31/h9-20,22,26-29,33-35,39-40H,21,23-25H2,1-8H3/t33?,34-,35+/m1/s1
SMILES: C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)[18OH])OC2=NC1=O
InChI: InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1/i14+2
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C([C@@H]([C@@H](C(=O)N2)C(=O)OC)C3=CC=CC=C3Cl)C#N)C
InChI: InChI=1S/C25H24ClN3O4S/c1-13-9-14(2)22(15(3)10-13)28-19(30)12-34-24-17(11-27)20(16-7-5-6-8-18(16)26)21(23(31)29-24)25(32)33-4/h5-10,20-21H,12H2,1-4H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1
SMILES: COC(=O)C1(CC2=C(C1)C3[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C2[C@@H]6[C@H]3[C@H]7CC[C@@H]6C7)C(=O)OC
InChI: InChI=1S/C25H32O4/c1-28-23(26)25(24(27)29-2)9-15-16(10-25)22-18-12-4-3-11(7-12)17(18)21(15)19-13-5-6-14(8-13)20(19)22/h11-14,17-22H,3-10H2,1-2H3/t11-,12+,13+,14-,17+,18-,19-,20+,21?,22?
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)[N+](=O)[O-])OCC=C)CCCCO)CCCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C49H61N3O12/c1-3-25-61-49-44(51(2)48(55)60-28-27-58-33-34-14-5-4-6-15-34)32-42(50-64-45-20-9-12-26-59-45)40-29-35(16-7-10-23-53)39(19-8-11-24-54)46(47(40)49)41-31-38(21-22-43(41)63-49)62-37-18-13-17-36(30-37)52(56)57/h3-6,13-15,17-18,21-22,29-31,35,39,44-47,53-54H,1,7-12,16,19-20,23-28,32-33H2,2H3/t35-,39+,44-,45?,46+,47+,49+/m0/s1
SMILES: CC1=C(C=CC(=C1)OC)C2=CC3=C4C(=C2)[C@@H]5CNCC[C@@H]5N4CCCC3
InChI: InChI=1S/C23H28N2O/c1-15-11-18(26-2)6-7-19(15)17-12-16-5-3-4-10-25-22-8-9-24-14-21(22)20(13-17)23(16)25/h6-7,11-13,21-22,24H,3-5,8-10,14H2,1-2H3/t21-,22-/m0/s1
SMILES: CC1=NC(=CC=C1)NC(=O)[C@]23CC[C@](C2(C)C)([C@H](C3)O)C
InChI: InChI=1S/C17H24N2O2/c1-11-6-5-7-13(18-11)19-14(21)17-9-8-16(4,12(20)10-17)15(17,2)3/h5-7,12,20H,8-10H2,1-4H3,(H,18,19,21)/t12-,16-,17+/m0/s1
SMILES: CC1(OC[C@H]([C@H](O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC4=C(C=C3)OCO4)C
InChI: InChI=1S/C22H24N2O4/c1-22(2)27-13-18(21(28-22)15-7-5-4-6-8-15)24(3)17(12-23)16-9-10-19-20(11-16)26-14-25-19/h4-11,17-18,21H,13-14H2,1-3H3/t17?,18-,21-/m1/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H](N3[C@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C
InChI: InChI=1S/C30H25NO4/c1-3-35-24-15-9-7-13-22(24)26-27(18(2)32)31-23-14-8-4-10-19(23)16-17-25(31)30(26)28(33)20-11-5-6-12-21(20)29(30)34/h4-17,25-27H,3H2,1-2H3/t25-,26+,27+/m0/s1
SMILES: CCCC(=O)O[C@H]1[C@H](O[C@H]([C@@H]1F)C2C=C(C(=O)NC2=O)F)CO
InChI: InChI=1S/C14H17F2NO6/c1-2-3-9(19)23-12-8(5-18)22-11(10(12)16)6-4-7(15)14(21)17-13(6)20/h4,6,8,10-12,18H,2-3,5H2,1H3,(H,17,20,21)/t6?,8-,10+,11+,12+/m1/s1
SMILES: CC(=O)O[C@H]1CC(C(C2[C@@]1(C3C(CC4CC3(C(C2=O)OC(=O)C)C(=O)C4=C)OC(=O)C)C)(C)C)O
InChI: InChI=1S/C26H34O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-18,20-21,23,30H,1,8-10H2,2-7H3/t15?,16?,17?,18-,20?,21?,23?,25-,26?/m0/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(C)S(=O)(=O)C6=CC=C(C=C6)NC(=O)C)OCC=C
InChI: InChI=1S/C44H56N4O9S/c1-6-24-56-44-41(48(4)58(52,53)35-19-16-32(17-20-35)46-30(3)51)27-39(47-54-5)37-25-31(13-7-9-22-49)36(15-8-10-23-50)42(43(37)44)38-26-34(18-21-40(38)57-44)55-28-33-14-11-12-29(2)45-33/h6,11-12,14,16-21,25-26,31,36,41-43,49-50H,1,7-10,13,15,22-24,27-28H2,2-5H3,(H,46,51)/t31-,36+,41-,42+,43+,44+/m0/s1
SMILES: CCCCCCCCCCC[C@@]1(C[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)C=C3)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H50O2Si/c1-7-8-9-10-11-12-13-14-15-18-28(21-30-31(5,6)27(2,3)4)20-24-22-16-17-23(19-22)25(24)26(28)29/h16-17,22-25H,7-15,18-21H2,1-6H3/t22-,23+,24-,25+,28-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)CSC2=NN=C(O2)C3=C(OC=C3)C)C(C)C
InChI: InChI=1S/C19H26N2O4S/c1-11(2)14-6-5-12(3)9-16(14)24-17(22)10-26-19-21-20-18(25-19)15-7-8-23-13(15)4/h7-8,11-12,14,16H,5-6,9-10H2,1-4H3/t12-,14+,16+/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)C
InChI: InChI=1S/C18H20FN3O3/c1-3-4-7-22-15(23)13-9(2)21-18(14(13)16(22)24)11-8-10(19)5-6-12(11)20-17(18)25/h5-6,8-9,13-14,21H,3-4,7H2,1-2H3,(H,20,25)/p+1/t9-,13-,14+,18-/m1/s1
SMILES: CCOC(=O)[C@@H]([C@H]([C@@H]1[C@H](OC(O1)(C)C)C)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C26H33NO7/c1-5-30-24(28)21(27-25(29)32-17-20-14-10-7-11-15-20)23(22-18(2)33-26(3,4)34-22)31-16-19-12-8-6-9-13-19/h6-15,18,21-23H,5,16-17H2,1-4H3,(H,27,29)/t18-,21-,22+,23-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)O)C=O)C
InChI: InChI=1S/C27H44O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t19-,21-,22+,23+,24+,25-,26-,27-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C(=CC[C@@]3([C@]2(C(=O)C(=C(C3=O)Cl)Cl)Cl)Cl)C=C
InChI: InChI=1S/C20H16Cl4O4/c1-3-10-8-9-19(23)17(26)14(21)15(22)18(27)20(19,24)13(10)11-6-5-7-12(16(11)25)28-4-2/h3,5-8,13,25H,1,4,9H2,2H3/t13-,19-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@]23CC[C@]([C@@H]2Br)(C3(C)C)C(Br)Br
InChI: InChI=1S/C17H20Br3NO/c1-10-4-6-11(7-5-10)21-14(22)17-9-8-16(12(17)18,13(19)20)15(17,2)3/h4-7,12-13H,8-9H2,1-3H3,(H,21,22)/t12-,16+,17-/m0/s1
SMILES: CC1=C[C@H]([C@@H](CC1)C(C)C)C2=C(C=CC(=C2)CCC[Se]C3=CC=CC=C3)O
InChI: InChI=1S/C25H32OSe/c1-18(2)22-13-11-19(3)16-23(22)24-17-20(12-14-25(24)26)8-7-15-27-21-9-5-4-6-10-21/h4-6,9-10,12,14,16-18,22-23,26H,7-8,11,13,15H2,1-3H3/t22-,23+/m0/s1
SMILES: CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@@H]1C2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C22H35NO/c1-15(2)13-23(14-16(3)4)21(24)20-12-19(20)17-8-10-18(11-9-17)22(5,6)7/h8-11,15-16,19-20H,12-14H2,1-7H3/t19-,20+/m1/s1
SMILES: CC[C@@H]1[C@@](C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)OCCCCC3=CC=NC4=CC=CC=C34)(C)O
InChI: InChI=1S/C43H65FN2O10/c1-12-33-43(8,51)38(53-22-16-15-17-29-20-21-45-31-19-14-13-18-30(29)31)27(4)34(47)25(2)24-41(6,52-11)37(28(5)36(49)42(7,44)40(50)55-33)56-39-35(48)32(46(9)10)23-26(3)54-39/h13-14,18-21,25-28,32-33,35,37-39,48,51H,12,15-17,22-24H2,1-11H3/t25-,26-,27+,28+,32+,33-,35-,37-,38?,39+,41+,42+,43-/m1/s1
SMILES: C[C@]1(CC(=O)C2=C([C@@H]1O)CC[C@H]3[C@H]2CC[C@@H](C3(C)C)O)C=C
InChI: InChI=1S/C19H28O3/c1-5-19(4)10-14(20)16-11-7-9-15(21)18(2,3)13(11)8-6-12(16)17(19)22/h5,11,13,15,17,21-22H,1,6-10H2,2-4H3/t11-,13+,15+,17+,19-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3
InChI: InChI=1S/C22H25NO2/c1-14-6-5-9-19(15(14)2)23-21(24)12-17-13-25-20-11-10-16-7-3-4-8-18(16)22(17)20/h3-4,7-8,10-11,13-15,19H,5-6,9,12H2,1-2H3,(H,23,24)/t14-,15-,19+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C34H25Br2ClFN3O8/c1-34-21(31(44)40(33(34)46)16-7-10-23(38)22(37)11-16)12-19-17(26(34)20-13-24(49-2)29(42)28(36)27(20)35)8-9-18-25(19)32(45)39(30(18)43)14-3-5-15(6-4-14)41(47)48/h3-8,10-11,13,18-19,21,25-26,42H,9,12H2,1-2H3/t18-,19+,21-,25-,26+,34+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=C(C=CC(=C2)OC)OC
InChI: InChI=1S/C18H27N3O3S/c1-11-6-5-7-15(12(11)2)19-18(25)21-20-17(22)14-10-13(23-3)8-9-16(14)24-4/h8-12,15H,5-7H2,1-4H3,(H,20,22)(H2,19,21,25)/t11-,12+,15-/m0/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CCN3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5)C
InChI: InChI=1S/C24H35N3O/c1-23(2)19-9-8-18(21(23)16-19)10-13-26-14-11-24(12-15-26)22(28)25-17-27(24)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3,(H,25,28)/t18-,19-,21-/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OC2=CC=C(C=C2)C(C)(C)C)CO)O)O
InChI: InChI=1S/C18H27NO6/c1-10(21)19-14-16(23)15(22)13(9-20)25-17(14)24-12-7-5-11(6-8-12)18(2,3)4/h5-8,13-17,20,22-23H,9H2,1-4H3,(H,19,21)/t13-,14-,15+,16+,17-/m0/s1
SMILES: C1[C@@H]([C@H]2[C@H](O2)[C@H](O1)OCC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C13H13F3O6S/c14-13(15,16)23(17,18)22-9-7-20-12(11-10(9)21-11)19-6-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-,11-,12-/m0/s1
SMILES: CCC[C@@H]1[C@@H]2C[C@@H]([C@@H]([C@@H]2C3=C(C=CC(=C3N1)C(=O)[O-])[N+](=O)[O-])Cl)SC4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C22H22ClN3O6S/c1-2-5-13-12-10-17(33-16-7-4-3-6-14(16)25(29)30)20(23)18(12)19-15(26(31)32)9-8-11(22(27)28)21(19)24-13/h3-4,6-9,12-13,17-18,20,24H,2,5,10H2,1H3,(H,27,28)/p-1/t12-,13+,17-,18-,20-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC=C2C3=CC(=C(C=C3)CO)CO)C
InChI: InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-22(8-6-14-26(23,24)4)19-9-10-20(16-27)21(15-19)17-28/h8-10,15,18,23-24,27-29H,5-7,11-14,16-17H2,1-4H3/t18-,23-,24+,26-/m1/s1
SMILES: CC1=C(C=CC(=C1)OCCN=C(N)N)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C
InChI: InChI=1S/C23H35N5O7/c1-11(2)17-15(9-13-4-5-14(8-12(13)3)33-7-6-26-23(24)25)21(28-27-17)35-22-20(32)19(31)18(30)16(10-29)34-22/h4-5,8,11,16,18-20,22,29-32H,6-7,9-10H2,1-3H3,(H,27,28)(H4,24,25,26)/t16-,18-,19+,20-,22+/m1/s1
SMILES: C[C@@H]1[C@]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC)(/C=N/NC(=O)C4=CC=NC=C4)O
InChI: InChI=1S/C27H44N10O12/c1-9-27(45,8-34-37-22(44)10-3-5-33-6-4-10)21(49-23-14(32-2)18(42)15(39)11(7-38)47-23)24(46-9)48-20-13(36-26(30)31)16(40)12(35-25(28)29)17(41)19(20)43/h3-6,8-9,11-21,23-24,32,38-43,45H,7H2,1-2H3,(H,37,44)(H4,28,29,35)(H4,30,31,36)/b34-8+/t9-,11-,12-,13+,14-,15-,16-,17+,18-,19-,20-,21-,23-,24-,27+/m1/s1
SMILES: C[C@@H]1C=C[C@@]2(CN(C[C@@H]2[C@H]1C)S(=O)(=O)C3=CC=C(C=C3)C)C
InChI: InChI=1S/C18H25NO2S/c1-13-5-7-16(8-6-13)22(20,21)19-11-17-15(3)14(2)9-10-18(17,4)12-19/h5-10,14-15,17H,11-12H2,1-4H3/t14-,15+,17-,18-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)NC(=O)/C=C/[C@]4(C1O4)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C27H33ClN2O7/c1-15-7-6-8-21(35-5)27(33)14-20(36-25(32)30-27)16(2)24-26(3,37-24)10-9-22(31)29-18-12-17(11-15)13-19(34-4)23(18)28/h6-10,12-13,16,20-21,24,33H,11,14H2,1-5H3,(H,29,31)(H,30,32)/b8-6+,10-9+,15-7+/t16-,20+,21-,24?,26+,27+/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)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C
InChI: InChI=1S/C30H50O9/c1-15(4-7-23(33)34)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(12-16(29)13-21(24)32)38-28-27(37)26(36)25(35)22(14-31)39-28/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/t15-,16+,17-,18-,19+,20+,21+,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1
SMILES: C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H27NO2/c32-25-17-19-27-24(20-25)16-18-26(21-10-4-1-5-11-21)29(27)31-30(33)28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,17,19-20,26,28-29,32H,16,18H2,(H,31,33)/t26-,29+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N[C@H](O2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H16ClNO2/c15-10-7-5-9(6-8-10)14-16-13(17)11-3-1-2-4-12(11)18-14/h5-8,11-12,14H,1-4H2,(H,16,17)/t11-,12+,14-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)C3=CC4=C(C=C3)N(C5=CC=CC=C5S4)C)OP(N(C(C)C)C(C)C)OCCC#N
InChI: InChI=1S/C35H42N3O5PS/c1-23(2)38(24(3)4)44(41-19-9-18-36)43-31-21-30(42-32(31)22-40-35(39)26-14-12-25(5)13-15-26)27-16-17-29-34(20-27)45-33-11-8-7-10-28(33)37(29)6/h7-8,10-17,20,23-24,30-32H,9,19,21-22H2,1-6H3/t30-,31+,32-,44?/m1/s1
SMILES: C[C@H]1[C@](O1)(C)C(=O)N2[C@H](C(OC2(C)C)(C)C)CC3=CC=CC=C3
InChI: InChI=1S/C19H27NO3/c1-13-19(6,22-13)16(21)20-15(12-14-10-8-7-9-11-14)17(2,3)23-18(20,4)5/h7-11,13,15H,12H2,1-6H3/t13-,15-,19+/m0/s1
SMILES: COC(=O)C1([C@@H]2CC=C[C@@H]2N(C1=O)CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C18H19NO5/c1-23-16(21)18(17(22)24-2)13-9-6-10-14(13)19(15(18)20)11-12-7-4-3-5-8-12/h3-8,10,13-14H,9,11H2,1-2H3/t13-,14+/m1/s1
SMILES: CC[C@H](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)O.CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C23H36O7.C20H21ClO4/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);5-13H,1-4H3/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1
SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C)C
InChI: InChI=1S/C26H38O7/c1-16(11-12-19-18(3)10-7-13-26(19,4)5)8-6-9-17(2)14-21(28)33-25-24(31)23(30)22(29)20(15-27)32-25/h6,8-9,11-12,14,20,22-25,27,29-31H,7,10,13,15H2,1-5H3/t20-,22-,23+,24-,25?/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C20H28N2O4/c1-13-7-9-16(10-8-13)20(25)21-11-19(24)26-12-18(23)22-17-6-4-5-14(2)15(17)3/h7-10,14-15,17H,4-6,11-12H2,1-3H3,(H,21,25)(H,22,23)/t14-,15-,17+/m0/s1
SMILES: CC1=CSC(=N1)NC2=C(C(=O)C3=C(C2=O)[C@@H]([C@]4(N3C[C@@H]5[C@H]4N5)OC)COC(=O)N)C
InChI: InChI=1S/C19H21N5O5S/c1-7-6-30-18(21-7)23-12-8(2)14(25)13-11(15(12)26)9(5-29-17(20)27)19(28-3)16-10(22-16)4-24(13)19/h6,9-10,16,22H,4-5H2,1-3H3,(H2,20,27)(H,21,23)/t9-,10+,16+,19-/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)Cl)C4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6
InChI: InChI=1S/C26H21ClN2O2S/c27-17-13-14-24-22(15-17)19-10-6-11-21(19)26(28-24)23-16-29(25-12-5-4-9-20(23)25)32(30,31)18-7-2-1-3-8-18/h1-10,12-16,19,21,26,28H,11H2/t19-,21+,26-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C44H37Cl2F3N4O8/c1-60-34-17-23(18-35(61-2)37(34)55)5-14-31-28-12-13-29-36(41(58)52(39(29)56)16-15-22-3-10-27(54)11-4-22)30(28)20-32-40(57)53(42(59)43(31,32)24-6-8-26(45)9-7-24)51-38-33(46)19-25(21-50-38)44(47,48)49/h3-12,14,17-19,21,29-32,36,54-55H,13,15-16,20H2,1-2H3,(H,50,51)/t29-,30+,31-,32-,36-,43-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C19H19ClN2O5/c20-12-4-3-5-13(10-12)21-16(23)11-27-17(24)8-9-22-18(25)14-6-1-2-7-15(14)19(22)26/h1-5,10,14-15H,6-9,11H2,(H,21,23)/t14-,15-/m0/s1
SMILES: C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O
InChI: InChI=1S/C35H46O18/c1-12(32(4,5)53-14(3)37)7-19(38)52-25-27-34-11-48-35(27,31(46)47)28(44)24(43)26(34)33(6)9-16(20(39)13(2)15(33)8-18(34)51-29(25)45)49-30-23(42)22(41)21(40)17(10-36)50-30/h7,9,13,15,17-18,21-28,30,36,40-44H,8,10-11H2,1-6H3,(H,46,47)/t13-,15-,17?,18+,21?,22?,23?,24+,25+,26+,27+,28-,30?,33-,34+,35-/m0/s1
SMILES: CCN1C(=O)[C@H]([C@@H]2[C@]1(/C=C(/CC[C@H]3[C@](O3)(CC/C=C(/CC2)\C)C)\C)O)C
InChI: InChI=1S/C22H35NO3/c1-6-23-20(24)17(4)18-11-9-15(2)8-7-13-21(5)19(26-21)12-10-16(3)14-22(18,23)25/h8,14,17-19,25H,6-7,9-13H2,1-5H3/b15-8+,16-14+/t17-,18+,19-,21+,22-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC(C)C)O
InChI: InChI=1S/C23H36O4/c1-4-5-8-11-20(24)16-14-19-15-17-22(25)21(19)12-9-6-7-10-13-23(26)27-18(2)3/h6,9,14-21,24H,4-5,7-8,10-13H2,1-3H3/b9-6-,16-14+/t19-,20-,21+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2C[C@@H](N([C@@H]2/C=C/CCCC(=O)OC)C(=O)OC(C)(C)C)C=C
InChI: InChI=1S/C25H35NO6S/c1-7-19-17-22(33(29,30)20-15-13-18(2)14-16-20)21(11-9-8-10-12-23(27)31-6)26(19)24(28)32-25(3,4)5/h7,9,11,13-16,19,21-22H,1,8,10,12,17H2,2-6H3/b11-9+/t19-,21+,22+/m0/s1
SMILES: CC(=O)N1[C@@H]2[C@H]([C@H](CO[C@@H]2N(C3=C1C(=O)N(C(=N3)SC)C)C(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H24N4O8S/c1-8(24)22-13-15(31-11(4)27)12(30-10(3)26)7-29-18(13)23(9(2)25)16-14(22)17(28)21(5)19(20-16)32-6/h12-13,15,18H,7H2,1-6H3/t12-,13+,15-,18-/m0/s1
SMILES: C[C@@]12[C@H]3C=C(C=C[C@@]34[C@@H]1N(C(CO4)C=C)C(=O)N(C2=O)C(=O)C5=CC=CC=C5)OC
InChI: InChI=1S/C23H22N2O5/c1-4-15-13-30-23-11-10-16(29-3)12-17(23)22(2)19(23)24(15)21(28)25(20(22)27)18(26)14-8-6-5-7-9-14/h4-12,15,17,19H,1,13H2,2-3H3/t15?,17-,19-,22-,23+/m1/s1
SMILES: C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4(C)C)OC(=O)CC(C)(CC(=O)O)O)C)C)C
InChI: InChI=1S/C36H58O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,37,42-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26+,27?,33?,34-,35-,36+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3([C@H]4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)OC
InChI: InChI=1S/C35H27NO4/c1-21-11-13-24(14-12-21)32(37)31-30(23-15-18-25(40-2)19-16-23)35(33(38)26-8-4-5-9-27(26)34(35)39)29-20-17-22-7-3-6-10-28(22)36(29)31/h3-20,29-31H,1-2H3/t29-,30-,31+/m0/s1
SMILES: CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@H]4[C@H](C)CCC(=O)O)C)O)C)O.C(CS(=O)(=O)O)N
InChI: InChI=1S/C26H44O5.C2H7NO3S/c1-5-16-19-12-15(27)10-11-25(19,3)20-13-21(28)26(4)17(14(2)6-9-22(29)30)7-8-18(26)23(20)24(16)31;3-1-2-7(4,5)6/h14-21,23-24,27-28,31H,5-13H2,1-4H3,(H,29,30);1-3H2,(H,4,5,6)/t14-,15-,16-,17+,18+,19+,20+,21+,23+,24-,25+,26-;/m1./s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c1-15-7-5-12-19(13-15)26-23(28)20-21(16-8-6-9-17(25)14-16)27(30-22(20)24(26)29)18-10-3-2-4-11-18/h2-14,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: C\1[C@@H]([C@H]2CO[C@@H](/C1=N\NC(=S)N)O2)NNC(=S)N
InChI: InChI=1S/C8H14N6O2S2/c9-7(17)13-11-3-1-4(12-14-8(10)18)6-15-2-5(3)16-6/h3,5-6,11H,1-2H2,(H3,9,13,17)(H3,10,14,18)/b12-4-/t3-,5+,6+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)NC4=CC=C(C=C4)OC)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(O6)C7=C(C=CC(=C7)C(F)(F)F)Cl)C
InChI: InChI=1S/C47H52ClF3N2O7/c1-29-6-4-21-45(2)39(20-22-46(45,57)28-53(27-35-7-5-23-59-35)44(56)52-32-11-14-34(58-3)15-12-32)36-16-9-30(24-33(54)13-8-29)25-37(36)43(55)42-19-18-41(60-42)38-26-31(47(49,50)51)10-17-40(38)48/h6,9-12,14-19,25-26,33,35,39,54,57H,4-5,7-8,13,20-24,27-28H2,1-3H3,(H,52,56)/t33-,35+,39-,45-,46+/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)CN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)COC(=O)NC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C28H32FN3O5/c29-21-5-7-23-25(13-21)37-31-27(23)18-9-11-32(12-10-18)15-19-3-1-2-4-20(19)16-34-28(33)30-22-6-8-24-26(14-22)36-17-35-24/h5-8,13-14,18-20H,1-4,9-12,15-17H2,(H,30,33)/t19-,20-/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H](C2=CC3=C(C=C2[C@H]1O)OCO3)COC(=O)C)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C24H24O9/c1-12(25)28-8-17-15-6-21-22(33-11-32-21)7-16(15)24(27)18(9-29-13(2)26)23(17)14-3-4-19-20(5-14)31-10-30-19/h3-7,17-18,23-24,27H,8-11H2,1-2H3/t17-,18-,23+,24+/m0/s1
SMILES: C/C=C(/C(=O)OC(C)C)\OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C
InChI: InChI=1S/C21H25N5O7S2/c1-6-12(19(29)32-9(2)3)33-20(30)15-10(4)7-34-18-14(17(28)26(15)18)24-16(27)13(25-31-5)11-8-35-21(22)23-11/h6,8-9,14,18H,7H2,1-5H3,(H2,22,23)(H,24,27)/b12-6-,25-13-/t14-,18-/m1/s1
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@]45C[C@@H]4C[C@H]([C@]5(CC3)C)CO
InChI: InChI=1S/C21H30O2/c1-12-7-13-8-16(23)3-4-17(13)18-5-6-20(2)15(11-22)9-14-10-21(14,20)19(12)18/h8,12,14-15,17-19,22H,3-7,9-11H2,1-2H3/t12-,14+,15+,17+,18-,19-,20-,21-/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)F)C(=O)[O-]
InChI: InChI=1S/C15H18FNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(19)20/h5-8,12-13H,1-4,9H2,(H,17,18)(H,19,20)/p-1/t12-,13+/m1/s1
SMILES: C[C@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1
InChI: InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27?/m0/s1
SMILES: CCOC(=O)C1=C(C2[C@H]3[C@@H](C1([C@@H]4[C@H]2C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)Cl)C)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)Cl)C
InChI: InChI=1S/C29H22Cl4N2O6/c1-4-41-28(40)21-11(2)18-19-22(26(38)34(24(19)36)12-5-7-14(30)16(32)9-12)29(21,3)23-20(18)25(37)35(27(23)39)13-6-8-15(31)17(33)10-13/h5-10,18-20,22-23H,4H2,1-3H3/t18?,19-,20-,22+,23+,29?/m0/s1
SMILES: C1CNC2=C(C=CO2)[C@H]3[C@H](C4=C1C5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)C(=O)N(C3=O)C7=CC=CC=C7
InChI: InChI=1S/C30H23N3O5S/c34-29-25-23-16-18-38-28(23)31-17-15-22-21-13-7-8-14-24(21)33(39(36,37)20-11-5-2-6-12-20)27(22)26(25)30(35)32(29)19-9-3-1-4-10-19/h1-14,16,18,25-26,31H,15,17H2/t25-,26+/m0/s1
SMILES: CC(C)C[C@H]1[C@@H]([C@H](OC2=C(C(=C(C(=C12)O)C=O)O)C=O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O)C(C)C
InChI: InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17-,26-/m0/s1
SMILES: CN1C2=CC=CC=C2[C@@H]3CC=C[C@H]([C@@]3(C1=O)C(=O)OC)OC
InChI: InChI=1S/C17H19NO4/c1-18-13-9-5-4-7-11(13)12-8-6-10-14(21-2)17(12,15(18)19)16(20)22-3/h4-7,9-10,12,14H,8H2,1-3H3/t12-,14+,17-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CCC3CN(CC3[C@@H]2C4=CC=C(C=C4)F)C(=O)NC
InChI: InChI=1S/C26H27F7N2O2/c1-14(17-9-18(25(28,29)30)11-19(10-17)26(31,32)33)37-22-8-5-16-12-35(24(36)34-2)13-21(16)23(22)15-3-6-20(27)7-4-15/h3-4,6-7,9-11,14,16,21-23H,5,8,12-13H2,1-2H3,(H,34,36)/t14-,16?,21?,22+,23+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]2[C@]([C@@H](O1)N3C=NC4=C(N=CN=C43)NCC5=CC(=CC=C5)I)(OC(O2)(C)C)C
InChI: InChI=1S/C23H26IN5O5/c1-5-31-20(30)16-17-23(4,34-22(2,3)33-17)21(32-16)29-12-28-15-18(26-11-27-19(15)29)25-10-13-7-6-8-14(24)9-13/h6-9,11-12,16-17,21H,5,10H2,1-4H3,(H,25,26,27)/t16-,17+,21+,23+/m0/s1
SMILES: C[C@@]1(C[C@]1(C(=O)O)NS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F)C4=CC=CC=C4
InChI: InChI=1S/C19H15F3N2O5S2/c1-17(11-5-3-2-4-6-11)10-18(17,16(25)26)24-31(27,28)15-8-7-13(30-15)12-9-14(29-23-12)19(20,21)22/h2-9,24H,10H2,1H3,(H,25,26)/t17-,18-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=C(C=C(C=C6OC)OC)O)C(=O)N(C5=O)C7=CC(=C(C=C7)C)Cl)Cl
InChI: InChI=1S/C36H32Cl2N2O7/c1-16-5-7-18(11-25(16)37)39-33(42)22-10-9-21-23(29(22)35(39)44)15-24-31(30(21)32-27(41)13-20(46-3)14-28(32)47-4)36(45)40(34(24)43)19-8-6-17(2)26(38)12-19/h5-9,11-14,22-24,29-31,41H,10,15H2,1-4H3/t22-,23+,24+,29-,30-,31+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4C)C
InChI: InChI=1S/C21H25N3O5/c1-4-27-21(26)16-9-15(16)11-24(20(25)17-7-13(2)22-23(17)3)10-14-5-6-18-19(8-14)29-12-28-18/h5-8,15-16H,4,9-12H2,1-3H3/t15-,16+/m1/s1
SMILES: CCCCN1[C@@H]([C@H](CCC1=O)C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C25H28N2O4/c1-3-4-15-27-23(28)14-13-22(24(27)20-9-11-21(30-2)12-10-20)25(29)31-17-19-7-5-18(16-26)6-8-19/h5-12,22,24H,3-4,13-15,17H2,1-2H3/t22-,24+/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CCN(C[C@@H]2C3=CC=C(C=C3)F)C(=O)[C@@H]4CC[C@H](C4)N5C=NN=C5
InChI: InChI=1S/C29H29F7N4O2/c1-17(20-10-21(28(31,32)33)13-22(11-20)29(34,35)36)42-26-8-9-39(14-25(26)18-2-5-23(30)6-3-18)27(41)19-4-7-24(12-19)40-15-37-38-16-40/h2-3,5-6,10-11,13,15-17,19,24-26H,4,7-9,12,14H2,1H3/t17-,19-,24-,25-,26+/m1/s1
SMILES: C1=CC=C(C=C1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14+/m1/s1
SMILES: CCCCCCCC(=O)N(CC1=CC=CC=C1)C2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O
InChI: InChI=1S/C21H33NO6/c1-2-3-4-5-9-12-15(23)22(13-14-10-7-6-8-11-14)16-17(24)19(26)21(28)20(27)18(16)25/h6-8,10-11,16-21,24-28H,2-5,9,12-13H2,1H3/t16?,17-,18+,19+,20-,21?
SMILES: CC1([C@@H]2C[C@@H]([C@H]([C@H]1C2)NC(=O)C3=CSC4=C3C=C(C=C4)O)C/C=C\CCCC(=O)O)C
InChI: InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16+,20+,23+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2SC)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C36H40O6S/c1-37-31-20-18-30(19-21-31)25-41-35-34(40-24-29-16-10-5-11-17-29)33(39-23-28-14-8-4-9-15-28)32(42-36(35)43-2)26-38-22-27-12-6-3-7-13-27/h3-21,32-36H,22-26H2,1-2H3/t32-,33+,34+,35-,36-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)C[NH+]3CC[NH+](CC3)CC4=CC=CC(=C4)C
InChI: InChI=1S/C22H32N4O2/c1-17-6-5-8-19(14-17)15-24-10-12-25(13-11-24)16-26-20(27)22(23-21(26)28)9-4-3-7-18(22)2/h5-6,8,14,18H,3-4,7,9-13,15-16H2,1-2H3,(H,23,28)/p+2/t18-,22+/m1/s1