EdisonScientific/glyph-datasets huggingface dataset:
SMILES: B12OC[C@]34[C@H](O1)C[C@@H](C[C@]3(CCC5[C@@H]4[C@H](O2)C[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O
InChI: InChI=1S/C29H41BO12/c1-13-22(32)23(33)24(34)25(39-13)40-15-8-19-28-12-38-30(42-19)41-18-10-26(2)16(14-7-20(31)37-11-14)4-6-29(26,36)17(21(18)28)3-5-27(28,35)9-15/h7,13,15-19,21-25,32-36H,3-6,8-12H2,1-2H3/t13-,15-,16+,17?,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2=CN(N=N2)[C@@H](C)C3=CC=CC=C3F
InChI: InChI=1S/C18H23FN4O/c1-12-7-3-6-10-16(12)20-18(24)17-11-23(22-21-17)13(2)14-8-4-5-9-15(14)19/h4-5,8-9,11-13,16H,3,6-7,10H2,1-2H3,(H,20,24)/t12-,13+,16+/m1/s1
SMILES: COC1=C(C=C2C(=C1)[C@H]([C@H](N(C2=O)CCCCl)C3=CC4=CC=CC=C4C=C3)C(=O)O)OC
InChI: InChI=1S/C25H24ClNO5/c1-31-20-13-18-19(14-21(20)32-2)24(28)27(11-5-10-26)23(22(18)25(29)30)17-9-8-15-6-3-4-7-16(15)12-17/h3-4,6-9,12-14,22-23H,5,10-11H2,1-2H3,(H,29,30)/t22-,23-/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)NC(=O)C(F)(F)F)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C46H39F3N4O9/c1-58-34-22-18-32(19-23-34)45(31-16-10-5-11-17-31,33-20-24-35(59-2)25-21-33)60-28-36-39(62-42(55)30-14-8-4-9-15-30)38(52-43(56)46(47,48)49)41(61-36)53-27-26-37(51-44(53)57)50-40(54)29-12-6-3-7-13-29/h3-27,36,38-39,41H,28H2,1-2H3,(H,52,56)(H,50,51,54,57)/t36-,38-,39-,41-/m1/s1
SMILES: CC1(O[C@@H]([C@@]2(O1)CCCCC2O)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C17H34O4Si/c1-15(2,3)22(6,7)19-12-14-17(21-16(4,5)20-14)11-9-8-10-13(17)18/h13-14,18H,8-12H2,1-7H3/t13?,14-,17-/m1/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+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(C9=CC=CC=C89)O)C(=O)N(C7=O)C1=CC(=C(C=C1)C(=O)O)O)C
InChI: InChI=1S/C45H35ClN4O8S/c1-20-29-16-21(46)8-15-35(29)59-39(20)32-19-36(48(3)47-32)50-41(54)31-18-30-26(38(45(31,2)44(50)58)25-13-14-33(51)24-7-5-4-6-23(24)25)11-12-28-37(30)42(55)49(40(28)53)22-9-10-27(43(56)57)34(52)17-22/h4-11,13-17,19,28,30-31,37-38,51-52H,12,18H2,1-3H3,(H,56,57)/t28-,30+,31-,37-,38-,45+/m0/s1
SMILES: COC1([C@@]2([C@H]([C@@]2(C(=N1)N)C#N)C3=CC=CS3)C#N)OC
InChI: InChI=1S/C13H12N4O2S/c1-18-13(19-2)12(7-15)9(8-4-3-5-20-8)11(12,6-14)10(16)17-13/h3-5,9H,1-2H3,(H2,16,17)/t9-,11+,12+/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(CCC2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)Cl)Cl)C)O
InChI: InChI=1S/C23H28Cl2O5/c1-13(26)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(27)6-8-20(14,2)23(17,25)18(24)11-21(16,22)3/h6,8,10,16-18,29H,4-5,7,9,11-12H2,1-3H3/t16?,17?,18-,20-,21-,22-,23-/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCN6CC6)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)OCCCl
InChI: InChI=1S/C52H62ClN3O8/c1-2-29-62-52-48(56(51(59)61-30-23-53)35-40-18-12-17-38-15-6-7-19-42(38)40)34-46(54-63-36-37-13-4-3-5-14-37)44-32-39(16-8-10-27-57)43(20-9-11-28-58)49(50(44)52)45-33-41(21-22-47(45)64-52)60-31-26-55-24-25-55/h2-7,12-15,17-19,21-22,32-33,39,43,48-50,57-58H,1,8-11,16,20,23-31,34-36H2/t39-,43+,48-,49+,50+,52+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3C[C@@H](C[C@@H](C3)C)C
InChI: InChI=1S/C22H34N2O3S/c1-15-11-16(2)14-24(13-15)28(26,27)20-9-6-8-19(12-20)22(25)23-21-10-5-7-17(3)18(21)4/h6,8-9,12,15-18,21H,5,7,10-11,13-14H2,1-4H3,(H,23,25)/t15-,16+,17-,18-,21-/m1/s1
SMILES: CC(C)OC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)C(=O)OC)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C22H24O7/c1-12(2)28-14-7-9-17-16(10-14)20(23)19(22(24)27-5)21(29-17)15-8-6-13(25-3)11-18(15)26-4/h6-12,19,21H,1-5H3/t19-,21+/m0/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2CC(=O)NC4=CC=CC(=N4)C(F)(F)F)CC5(CC5)C6[C@@]3(CCC(=O)N6)C
InChI: InChI=1S/C28H36F3N3O2/c1-25-10-8-19-17(15-27(12-13-27)24-26(19,2)11-9-22(35)34-24)18(25)7-6-16(25)14-23(36)33-21-5-3-4-20(32-21)28(29,30)31/h3-5,16-19,24H,6-15H2,1-2H3,(H,34,35)(H,32,33,36)/t16-,17?,18+,19?,24?,25-,26-/m1/s1
SMILES: CCOC1=C(C=C2C(C[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O)O
InChI: InChI=1S/C20H28O4/c1-3-24-18-10-12-11-6-7-20(2)15(4-5-19(20)23)13(11)8-16(21)14(12)9-17(18)22/h9-11,13,15-16,19,21-23H,3-8H2,1-2H3/t11-,13-,15+,16?,19+,20+/m1/s1
SMILES: C1[C@@H]([C@@]1(CC2=CC=CC=C2)S(=O)C3=CC=CC=C3)CCCCO
InChI: InChI=1S/C20H24O2S/c21-14-8-7-11-18-16-20(18,15-17-9-3-1-4-10-17)23(22)19-12-5-2-6-13-19/h1-6,9-10,12-13,18,21H,7-8,11,14-16H2/t18-,20-,23?/m0/s1
SMILES: CC1=C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)CC4)C)F)O)C)(C(=O)C)O
InChI: InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h9-10,15,17-18,26-27H,5-8,11H2,1-4H3/t15-,17-,18-,19-,20-,21-,22-/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)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN(C)[C@H](C)[C@H](C6=CC=CC=C6)O
InChI: InChI=1S/C45H51N3O7S/c1-30-18-24-39(25-19-30)56(52,53)47-40(26-33-12-7-5-8-13-33)44(51)46-38-17-11-16-37(27-38)45-54-41(28-48(4)32(3)42(50)35-14-9-6-10-15-35)31(2)43(55-45)36-22-20-34(29-49)21-23-36/h5-25,27,31-32,40-43,45,47,49-50H,26,28-29H2,1-4H3,(H,46,51)/t31-,32+,40+,41+,42+,43+,45+/m0/s1
SMILES: CC1=C(C=CC(=C1)F)[C@H]2CN(CC[C@@H]2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C4CN(C4)C(=O)OC
InChI: InChI=1S/C30H32F7N3O4/c1-16-9-22(31)5-6-23(16)25-15-39(26(41)19-13-40(14-19)28(43)44-4)8-7-24(25)27(42)38(3)17(2)18-10-20(29(32,33)34)12-21(11-18)30(35,36)37/h5-6,9-12,17,19,24-25H,7-8,13-15H2,1-4H3/t17-,24+,25-/m1/s1
SMILES: C/C(=C\CC/C(=C/C[C@]1([C@@H](CCC12OCCO2)C/C=C(\C)/C=O)C)/C)/CCS(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C30H42O5S/c1-24(9-8-10-25(2)17-22-36(32,33)28-11-6-5-7-12-28)15-18-29(4)27(14-13-26(3)23-31)16-19-30(29)34-20-21-35-30/h5-7,10-13,15,23,27H,8-9,14,16-22H2,1-4H3/b24-15+,25-10+,26-13+/t27-,29+/m1/s1
SMILES: CN(C)C1=CC(=CC=C1)OC2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]CC5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H30N6O3/c1-33(2)22-9-6-10-23(15-22)37-28-30-31-32-34(28)25-18-36-26-24(17-35-27(25)26)29-16-19-11-13-21(14-12-19)20-7-4-3-5-8-20/h3-15,24-27,29H,16-18H2,1-2H3/p+1/t24-,25-,26+,27+/m0/s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CC(C=C3NC2=N1)(C)C)C4=CC=CO4
InChI: InChI=1S/C17H20N4O2S/c1-4-24-16-19-15-18-10-8-17(2,3)9-11(22)13(10)14(21(15)20-16)12-6-5-7-23-12/h5-8,13-14H,4,9H2,1-3H3,(H,18,19,20)/t13-,14-/m1/s1
SMILES: C[C@@H]1/C=C(/[C@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=O)C(=C2O)CC(CC([C@H]1O)OC)C)/C)OC)OC(=O)N)\C
InChI: InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-33H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+/t14?,16-,21-,22?,23+,26-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@H](O4)C5=CC=C(S5)Br)C(=O)CO)CCC6=CC(=O)CC[C@H]36
InChI: InChI=1S/C25H29BrO5S/c1-24-9-8-16-15-5-3-14(28)10-13(15)2-4-17(16)18(24)11-21-25(24,20(29)12-27)31-23(30-21)19-6-7-22(26)32-19/h6-7,10,15-18,21,23,27H,2-5,8-9,11-12H2,1H3/t15-,16+,17+,18-,21+,23-,24-,25+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCCC[C@H]2CC(=C3[C@]4([C@@H]2NCC4)C5=CC=CC=C5N3)C(=O)OC
InChI: InChI=1S/C28H34N2O5S/c1-19-11-13-21(14-12-19)36(32,33)35-17-7-3-4-8-20-18-22(27(31)34-2)26-28(15-16-29-25(20)28)23-9-5-6-10-24(23)30-26/h5-6,9-14,20,25,29-30H,3-4,7-8,15-18H2,1-2H3/t20-,25+,28-/m0/s1
SMILES: CCCCCCCCCCCOC(=O)O[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)Cl)C
InChI: InChI=1S/C30H47ClO4/c1-3-4-5-6-7-8-9-10-11-18-34-29(33)35-27-17-16-25-24-14-12-21-19-22(32)13-15-23(21)28(24)26(31)20-30(25,27)2/h19,23-28H,3-18,20H2,1-2H3/t23-,24-,25-,26-,27-,28+,30-/m0/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)NO)O)(C)C)O)C)O)C=C
InChI: InChI=1S/C21H33NO8/c1-7-18(4)10-12(24)21(27)19(5)11(23)8-9-17(2,3)14(19)13(25)15(20(21,6)30-18)29-16(26)22-28/h7,11,13-15,23,25,27-28H,1,8-10H2,2-6H3,(H,22,26)/t11-,13-,14-,15-,18-,19-,20+,21-/m0/s1
SMILES: CCOC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C16H18N2O6S2/c1-2-22-15(19)6-25-16-17-11-7-26(20,21)8-12(11)18(16)10-3-4-13-14(5-10)24-9-23-13/h3-5,11-12H,2,6-9H2,1H3/t11-,12-/m0/s1
SMILES: C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CC(=O)C=C4
InChI: InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14-,15+/m0/s1
SMILES: CC[C@@H]1[C@H](N[C@@H]([C@@H](C1=O)CC)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C21H25NO/c1-3-17-19(15-11-7-5-8-12-15)22-20(18(4-2)21(17)23)16-13-9-6-10-14-16/h5-14,17-20,22H,3-4H2,1-2H3/t17-,18+,19-,20-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2)C(=O)N[C@H]3CCCC[C@@H]3OCC4=CC=CC=C4)CC(=O)N[C@H]5CCCC[C@@H]5OCC6=CC=CC=C6
InChI: InChI=1S/C42H53N5O6S/c1-42(2,3)32-22-24-33(25-23-32)54(50,51)46-39-26-36(41(49)44-35-19-11-13-21-38(35)53-29-31-16-8-5-9-17-31)47(45-39)27-40(48)43-34-18-10-12-20-37(34)52-28-30-14-6-4-7-15-30/h4-9,14-17,22-26,34-35,37-38H,10-13,18-21,27-29H2,1-3H3,(H,43,48)(H,44,49)(H,45,46)/t34-,35-,37-,38-/m0/s1
SMILES: C1C(=O)N(C(=O)[C@]12[C@H](NC3=CC=CC=C23)C4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C24H20N2O2/c27-21-15-24(23(28)26(21)16-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-22(24)18-11-5-2-6-12-18/h1-14,22,25H,15-16H2/t22-,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(=C4)CNC(=O)C5=CC=CC=C5)CN6CCC[C@H]6COC
InChI: InChI=1S/C39H44N2O5/c1-27-36(24-41-21-7-12-35(41)26-44-2)45-39(46-37(27)31-15-13-28(25-42)14-16-31)33-19-17-30(18-20-33)34-11-6-8-29(22-34)23-40-38(43)32-9-4-3-5-10-32/h3-6,8-11,13-20,22,27,35-37,39,42H,7,12,21,23-26H2,1-2H3,(H,40,43)/t27-,35+,36+,37+,39+/m1/s1
SMILES: CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC=C(C=C3)OC)C
InChI: InChI=1S/C22H26N2O3/c1-22(2)26-15-20(21(27-22)17-8-6-5-7-9-17)24(3)19(14-23)16-10-12-18(25-4)13-11-16/h5-13,19-21H,15H2,1-4H3/t19?,20-,21-/m0/s1
SMILES: CC(C)[C@@H](CC1=CC=CC=C1)NC(=O)OC[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4
InChI: InChI=1S/C37H41N5O6/c1-23(2)29(19-24-11-5-3-6-12-24)42-37(46)47-22-32-34(48-32)30(20-25-13-7-4-8-14-25)40-36(45)31(21-33(38)43)41-35(44)28-18-17-26-15-9-10-16-27(26)39-28/h3-18,23,29-32,34H,19-22H2,1-2H3,(H2,38,43)(H,40,45)(H,41,44)(H,42,46)/t29-,30+,31+,32+,34-/m1/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CN(C)[C@@H](C)C5=CC=CC=C5
InChI: InChI=1S/C35H40F3N3O5/c1-22-30(20-40(3)23(2)25-9-5-4-6-10-25)45-33(46-31(22)26-16-14-24(21-42)15-17-26)27-11-7-12-28(19-27)39-32(43)29-13-8-18-41(29)34(44)35(36,37)38/h4-7,9-12,14-17,19,22-23,29-31,33,42H,8,13,18,20-21H2,1-3H3,(H,39,43)/t22-,23-,29-,30+,31+,33+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@@]2([C@@H]([C@@H]1O)[C@@](CCC2=O)(C)O)C
InChI: InChI=1S/C15H24O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(14)12(10)17/h10,12-13,17-18H,1,5-8H2,2-4H3/t10-,12+,13+,14-,15-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C(C)C)Cl
InChI: InChI=1S/C19H18ClNO2/c1-9(2)15-12-6-7-13(15)17-16(12)18(22)21(19(17)23)11-5-4-10(3)14(20)8-11/h4-8,12-13,16-17H,1-3H3/t12-,13+,16-,17-/m0/s1
SMILES: CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@@H](C2CCCCC2)C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)NC(CC5CC5)C(=O)C(=O)N)CCC46CC6)C
InChI: InChI=1S/C39H60N6O7/c1-37(2,3)27(21-44-28(46)18-38(4,5)19-29(44)47)42-36(52)43-30(23-9-7-6-8-10-23)35(51)45-20-25-24(13-14-39(25)15-16-39)31(45)34(50)41-26(17-22-11-12-22)32(48)33(40)49/h22-27,30-31H,6-21H2,1-5H3,(H2,40,49)(H,41,50)(H2,42,43,52)/t24-,25-,26?,27+,30-,31-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C(=O)N
InChI: InChI=1S/C31H22Cl2FN3O6/c32-30-13-21-19(9-10-20-23(21)26(40)37(25(20)39)29(35)43)24(18-11-12-22(38)17-4-2-1-3-16(17)18)31(30,33)28(42)36(27(30)41)15-7-5-14(34)6-8-15/h1-9,11-12,20-21,23-24,38H,10,13H2,(H2,35,43)/t20-,21+,23-,24-,30+,31-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1C[C@@H](C(=C)[C@@H]2C(=O)OC)O)(C)C
InChI: InChI=1S/C16H26O3/c1-10-11(17)9-12-15(2,3)7-6-8-16(12,4)13(10)14(18)19-5/h11-13,17H,1,6-9H2,2-5H3/t11-,12-,13+,16-/m0/s1
SMILES: CCCCCCCCS[C@H]1[C@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H44O5S/c1-2-3-4-5-6-16-23-41-35-33(37-25-28-19-12-8-13-20-28)32(36-24-27-17-10-7-11-18-27)31-30(39-35)26-38-34(40-31)29-21-14-9-15-22-29/h7-15,17-22,30-35H,2-6,16,23-26H2,1H3/t30-,31-,32+,33+,34-,35+/m1/s1
SMILES: C[C@@]12CC[C@@]3([C@@](C1=CC4=C(O2)C=C(OC4=O)C5=CC(=C(C=C5)OC)OC)(C(=O)CCC3(C)C)C)O
InChI: InChI=1S/C28H32O7/c1-25(2)10-9-23(29)27(4)22-14-17-20(35-26(22,3)11-12-28(25,27)31)15-19(34-24(17)30)16-7-8-18(32-5)21(13-16)33-6/h7-8,13-15,31H,9-12H2,1-6H3/t26-,27+,28-/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4Br)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H16BrClN2O3/c24-17-8-4-5-9-18(17)26-22(28)19-20(14-10-12-15(25)13-11-14)27(30-21(19)23(26)29)16-6-2-1-3-7-16/h1-13,19-21H/t19-,20-,21+/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)C8=CC=C(C=C8)Cl
InChI: InChI=1S/C39H32ClN3O5/c1-22-7-13-26(14-8-22)41-43-36(46)32-21-31-29(19-20-30-33(31)37(47)42(35(30)45)27-15-11-25(40)12-16-27)34(23-9-17-28(44)18-10-23)39(32,38(43)48)24-5-3-2-4-6-24/h2-19,30-34,41,44H,20-21H2,1H3/t30-,31+,32-,33-,34-,39+/m0/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CC5=CC=CC=C5
InChI: InChI=1S/C24H25N3O3/c1-3-14(2)27-21(28)19-18(13-15-9-5-4-6-10-15)26-24(20(19)22(27)29)16-11-7-8-12-17(16)25-23(24)30/h4-12,14,18-20,26H,3,13H2,1-2H3,(H,25,30)/p+1/t14-,18+,19+,20-,24+/m0/s1
SMILES: C[C@]1([C@H]2C(=O)C3=CC=CC=C3[C@](O2)(O1)OC)C(=O)OCC4=CC=C(C=C4)F
InChI: InChI=1S/C20H17FO6/c1-19(18(23)25-11-12-7-9-13(21)10-8-12)17-16(22)14-5-3-4-6-15(14)20(24-2,26-17)27-19/h3-10,17H,11H2,1-2H3/t17-,19+,20+/m1/s1
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C3N2C=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C17H15N7O6/c25-5-10-12(26)13(27)17(30-10)23-6-18-11-15(23)19-7-22-14(20-21-16(11)22)8-2-1-3-9(4-8)24(28)29/h1-4,6-7,10,12-13,17,25-27H,5H2/t10-,12-,13-,17-/m1/s1
SMILES: C1=CC=C(C=C1)[C@]2([C@@H]([C@H](C(=C(N2)[S-])C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O
InChI: InChI=1S/C27H19Cl2N3OS/c28-21-13-12-18(15-22(21)29)24-20(16-30)26(34)31-27(33,19-9-2-1-3-10-19)25(24)32-14-6-8-17-7-4-5-11-23(17)32/h1-15,24-25,31,33H/t24-,25+,27+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C
InChI: InChI=1S/C18H18O7/c1-9(19)22-16-14-12(23-17(16)18(3,4)25-10(2)20)7-5-11-6-8-13(21)24-15(11)14/h5-8,16-17H,1-4H3/t16-,17+/m1/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)O)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)CO[C@@H](O5)C6=CC=CC=C6)OCC=C)O
InChI: InChI=1S/C44H60O11Si/c1-8-24-47-39-36(46)43(53-33-27-50-41(54-37(33)39)32-22-16-11-17-23-32)55-38-34(28-51-56(6,7)44(4,5)29(2)3)52-42(49-26-31-20-14-10-15-21-31)35(45)40(38)48-25-30-18-12-9-13-19-30/h8-23,29,33-43,45-46H,1,24-28H2,2-7H3/t33-,34-,35-,36-,37+,38-,39-,40-,41+,42-,43+/m1/s1
SMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)NC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C21)N
InChI: InChI=1S/C19H21N3O5/c20-11-3-1-9-5-10-2-4-12(7-14(10)22-13(9)6-11)21-19-18(26)17(25)16(24)15(8-23)27-19/h1-7,15-19,21,23-26H,8,20H2/t15-,16-,17+,18-,19?/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H22N2O4/c1-16-8-6-7-11-20(16)26-24(28)21-22(17-12-14-19(30-2)15-13-17)27(31-23(21)25(26)29)18-9-4-3-5-10-18/h3-15,21-23H,1-2H3/t21-,22+,23-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)O)N=C(S3)NC(=O)C4CCCCC4)(C)CO)O
InChI: InChI=1S/C23H34N2O5S/c1-22-9-8-17(27)23(2,12-26)16(22)11-15-19(14(22)10-18(28)29)24-21(31-15)25-20(30)13-6-4-3-5-7-13/h13-14,16-17,26-27H,3-12H2,1-2H3,(H,28,29)(H,24,25,30)/t14-,16+,17-,22+,23+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=C(C=C4)F
InChI: InChI=1S/C23H24FN3O2/c1-15-5-2-3-7-20(15)26-22(28)19-13-17-6-4-12-25-21(17)27(23(19)29)14-16-8-10-18(24)11-9-16/h4,6,8-13,15,20H,2-3,5,7,14H2,1H3,(H,26,28)/t15-,20-/m0/s1
SMILES: CC[C@@H]1CN2CC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C(C3=O)C(=CC=C4)OC
InChI: InChI=1S/C23H28N2O5/c1-5-13-10-25-11-15-21(18(25)9-14(13)16(12-28-2)23(27)30-4)24-17-7-6-8-19(29-3)20(17)22(15)26/h6-8,12-14,18H,5,9-11H2,1-4H3,(H,24,26)/b16-12+/t13-,14+,18+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9)O
InChI: InChI=1S/C48H36N2O6/c1-27-24-30(18-23-39(27)51)43-33-21-22-34-42(47(55)50(46(34)54)32-19-16-29(17-20-32)45-49-38-14-8-9-15-40(38)56-45)36(33)25-37-44(53)35(28-10-4-2-5-11-28)26-41(52)48(37,43)31-12-6-3-7-13-31/h2-21,23-24,26,34,36-37,42-43,51H,22,25H2,1H3/t34-,36+,37-,42-,43-,48-/m0/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H33N3O3S/c1-3-24(4-2)28(26,27)19-12-7-11-18(15-19)22-21(25)16-23-14-8-10-17-9-5-6-13-20(17)23/h7,11-12,15,17,20H,3-6,8-10,13-14,16H2,1-2H3,(H,22,25)/t17-,20-/m0/s1
SMILES: CCCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC(=CC(=C3)Cl)Cl
InChI: InChI=1S/C15H16Cl2N2O3S2/c1-2-3-14(20)18-15-19(11-5-9(16)4-10(17)6-11)12-7-24(21,22)8-13(12)23-15/h4-6,12-13H,2-3,7-8H2,1H3/t12-,13+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O
InChI: InChI=1S/C14H18N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)(H2,15,20,21)/t11-,12-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C21H25NO2/c1-15-7-6-10-20(16(15)2)22-21(23)17-11-13-19(14-12-17)24-18-8-4-3-5-9-18/h3-5,8-9,11-16,20H,6-7,10H2,1-2H3,(H,22,23)/t15-,16+,20-/m0/s1
SMILES: C=CCCCO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H36O6/c1-2-3-13-20-33-32-30(35-22-25-16-9-5-10-17-25)29(34-21-24-14-7-4-8-15-24)28-27(37-32)23-36-31(38-28)26-18-11-6-12-19-26/h2,4-12,14-19,27-32H,1,3,13,20-23H2/t27-,28-,29+,30-,31-,32+/m1/s1
SMILES: COC(=O)[C@@H]1C[C@]23CCCN4[C@@H]2[C@@]5([C@]1(CC3)NC6=CC=CC=C65)CC4
InChI: InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18-,19+,20+,21+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN[C@H]1C2=CC=C(C=C2)OCCOC(C)C)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C25H31NO6/c1-4-28-25(27)23-20(18-7-10-21-22(13-18)32-15-31-21)14-26-24(23)17-5-8-19(9-6-17)30-12-11-29-16(2)3/h5-10,13,16,20,23-24,26H,4,11-12,14-15H2,1-3H3/t20-,23-,24+/m1/s1
SMILES: C1C2=CC(=O)NC(=O)N2[C@H]3[C@@H]([C@@H]([C@@H](O3)C(O1)OP(=O)(O)O)O)O
InChI: InChI=1S/C10H13N2O10P/c13-4-1-3-2-20-9(22-23(17,18)19)7-5(14)6(15)8(21-7)12(3)10(16)11-4/h1,5-9,14-15H,2H2,(H,11,13,16)(H2,17,18,19)/t5-,6+,7+,8+,9?/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O
InChI: InChI=1S/C21H21NO3/c1-13-6-2-5-9-18(13)22-20(23)17-12-16-15-8-4-3-7-14(15)10-11-19(16)25-21(17)24/h3-4,7-8,10-13,18H,2,5-6,9H2,1H3,(H,22,23)/t13-,18-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](C3=CC=CC=C3)O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C21H24O5/c1-21(2)25-19-18(23-13-14-9-5-3-6-10-14)17(24-20(19)26-21)16(22)15-11-7-4-8-12-15/h3-12,16-20,22H,13H2,1-2H3/t16-,17-,18+,19-,20-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@H]([C@H](O2)OCC3=CC=CC=C3)[NH3+])O)O[C@@H](O1)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO5/c21-16-17(22)18-15(12-24-19(26-18)14-9-5-2-6-10-14)25-20(16)23-11-13-7-3-1-4-8-13/h1-10,15-20,22H,11-12,21H2/p+1/t15-,16-,17+,18-,19-,20+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)[C@@H](C)OC2=CC=C(C=C2)F)C(C)C
InChI: InChI=1S/C19H27FO3/c1-12(2)17-10-5-13(3)11-18(17)23-19(21)14(4)22-16-8-6-15(20)7-9-16/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t13-,14+,17+,18-/m0/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=CC=C3OC)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C24H25N3O4/c1-13(2)20-18-19(24(26-20)15-9-5-6-10-16(15)25-23(24)30)22(29)27(21(18)28)12-14-8-4-7-11-17(14)31-3/h4-11,13,18-20,26H,12H2,1-3H3,(H,25,30)/p+1/t18-,19-,20+,24-/m0/s1
SMILES: CC1=CC=C(C=C1)OC[C@@H]2[C@H](C[C@@H](O2)N3C4=C(C=NS4)N=C3SCC5=CC=CC=C5)OC6=CC=C(C=C6)C
InChI: InChI=1S/C30H29N3O3S2/c1-20-8-12-23(13-9-20)34-18-27-26(35-24-14-10-21(2)11-15-24)16-28(36-27)33-29-25(17-31-38-29)32-30(33)37-19-22-6-4-3-5-7-22/h3-15,17,26-28H,16,18-19H2,1-2H3/t26-,27+,28+/m0/s1
SMILES: C1CC2=CC=CC=C2[C@]3([C@@H]1[C@H](O3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C24H22O/c1-3-9-18(10-4-1)17-24-21-14-8-7-11-19(21)15-16-22(24)23(25-24)20-12-5-2-6-13-20/h1-14,22-23H,15-17H2/t22-,23+,24-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC(=O)[C@@]3([C@@H]2C(=O)CC4=C3COC4=O)C)(C)C
InChI: InChI=1S/C20H26O4/c1-18(2)6-5-7-19(3)14(18)9-15(22)20(4)12-10-24-17(23)11(12)8-13(21)16(19)20/h14,16H,5-10H2,1-4H3/t14-,16+,19-,20+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3
InChI: InChI=1S/C23H29N3O3/c1-17-8-6-7-11-21(17)25-23(28)18(2)29-22(27)13-12-20-14-24-26(16-20)15-19-9-4-3-5-10-19/h3-5,9-10,12-14,16-18,21H,6-8,11,15H2,1-2H3,(H,25,28)/b13-12+/t17-,18+,21-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)CCC8=NC9=CC(=C(C=C9N(C8=O)C)OC)OC)O
InChI: InChI=1S/C46H41N5O8/c1-26-21-28(15-16-37(26)52)41-30-17-20-50-44(56)49(19-18-33-43(55)48(2)36-25-39(59-4)38(58-3)24-34(36)47-33)45(57)51(50)35(30)23-32-42(54)31(27-11-7-5-8-12-27)22-40(53)46(32,41)29-13-9-6-10-14-29/h5-17,21-22,24-25,32,35,41,52H,18-20,23H2,1-4H3/t32-,35+,41-,46-/m0/s1
SMILES: C1CC=C2[C@@H](C1)[C@H](C(C(=C2N)C#N)(C#N)C#N)C3=CC=CS3
InChI: InChI=1S/C17H14N4S/c18-8-13-16(21)12-5-2-1-4-11(12)15(14-6-3-7-22-14)17(13,9-19)10-20/h3,5-7,11,15H,1-2,4,21H2/t11-,15+/m1/s1
SMILES: CCCCC[C@@H](/C=C\[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12-/t15-,16+,17+,19+/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@]1(C)CCC3=CC(=O)OC3)CCC=C2C(=O)O[C@H]4[C@@H]([C@H]([C@H](CO4)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C31H42O11/c1-17-10-12-31(6)22(8-7-9-24(31)30(17,5)13-11-21-14-25(35)37-15-21)28(36)42-29-27(41-20(4)34)26(40-19(3)33)23(16-38-29)39-18(2)32/h8,14,17,23-24,26-27,29H,7,9-13,15-16H2,1-6H3/t17-,23-,24-,26-,27+,29-,30+,31-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O
InChI: InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CO4
InChI: InChI=1S/C20H17NO5/c1-12-4-2-5-15-17(12)19(23)21(18(15)22)13-7-9-14(10-8-13)26-20(24)16-6-3-11-25-16/h2-4,6-12,15,17H,5H2,1H3/t12-,15-,17+/m0/s1
SMILES: C[C@]12CC[C@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3C/C(=C\C5=CC=CC=C5Cl)/[C@@H]4O)C)O
InChI: InChI=1S/C26H33ClO2/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17(24(26)29)13-16-5-3-4-6-23(16)27/h3-7,13,19-22,24,28-29H,8-12,14-15H2,1-2H3/b17-13+/t19-,20-,21+,22-,24+,25+,26-/m1/s1
SMILES: C[C@@H]([C@@H]1C[C@H]2CC[C@@H]1C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5
InChI: InChI=1S/C25H27N3O2S/c1-16(21-14-17-11-12-18(21)13-17)26-23(29)15-31-25-27-22-10-6-5-9-20(22)24(30)28(25)19-7-3-2-4-8-19/h2-10,16-18,21H,11-15H2,1H3,(H,26,29)/t16-,17-,18+,21-/m0/s1
SMILES: CCCCCCCCCCCC[C@@H]1[C@@H](CC[C@@H](O1)[C@@H](CCCC[C@@H](CCO)O)O)OCOC
InChI: InChI=1S/C27H54O6/c1-3-4-5-6-7-8-9-10-11-12-17-27-26(32-22-31-2)19-18-25(33-27)24(30)16-14-13-15-23(29)20-21-28/h23-30H,3-22H2,1-2H3/t23-,24+,25+,26+,27+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C52H81N3O10/c1-3-5-7-9-11-13-14-16-18-20-28-34-44(57)53-42(51(61)62-37-39-29-23-21-24-30-39)36-46(59)55-50-47(54-45(58)35-41(56)33-27-19-17-15-12-10-8-6-4-2)48(60)49-43(64-50)38-63-52(65-49)40-31-25-22-26-32-40/h21-26,29-32,41-43,47-50,52,56,60H,3-20,27-28,33-38H2,1-2H3,(H,53,57)(H,54,58)(H,55,59)/t41-,42+,43-,47-,48-,49-,50-,52?/m1/s1