EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C51H64O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-27-37-29-39(63-51-46(55)44(53)45(54)47(64-51)50(58)59-3)30-40(52)43(37)49(57)62-38-28-34(2)42(48(56)61-33-36-25-20-17-21-26-36)41(31-38)60-32-35-23-18-16-19-24-35/h16-21,23-26,28-31,44-47,51-55H,4-15,22,27,32-33H2,1-3H3/t44-,45-,46+,47-,51+/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN(CC=C)C6CCCC6
InChI: InChI=1S/C39H45N3O7/c1-3-21-41(31-11-7-8-12-31)23-34-26(2)36(29-15-13-27(24-43)14-16-29)49-38(48-34)30-17-19-32(20-18-30)42-35(44)22-33(37(42)45)40-39(46)47-25-28-9-5-4-6-10-28/h3-6,9-10,13-20,26,31,33-34,36,38,43H,1,7-8,11-12,21-25H2,2H3,(H,40,46)/t26-,33?,34+,36+,38+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@@]23CN(C(=O)O3)CC4=C(C=C(C=C4)OC)OC)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(C=C6)OC)C
InChI: InChI=1S/C40H47NO7/c1-26-7-6-19-39(2)35(18-20-40(39)25-41(38(44)48-40)24-29-12-16-32(46-4)23-36(29)47-5)33-17-9-27(21-30(42)13-8-26)22-34(33)37(43)28-10-14-31(45-3)15-11-28/h7,9-12,14-17,22-23,30,35,42H,6,8,13,18-21,24-25H2,1-5H3/t30-,35-,39-,40+/m0/s1
SMILES: C[C@@]1(CC(=O)[C@H]([C@@H]([C@@H]1C(=O)OC(C)(C)C)C2=CC(=CC=C2)O)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C23H32O7/c1-21(2,3)29-19(26)17-15(25)12-23(7,28)18(20(27)30-22(4,5)6)16(17)13-9-8-10-14(24)11-13/h8-11,16-18,24,28H,12H2,1-7H3/t16-,17+,18+,23-/m0/s1
SMILES: CCOC(=O)C[C@H]1N([C@H]([C@H](O1)C2=CC=CC=C2)C)C(=O)OCC
InChI: InChI=1S/C17H23NO5/c1-4-21-15(19)11-14-18(17(20)22-5-2)12(3)16(23-14)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11H2,1-3H3/t12-,14-,16-/m0/s1
SMILES: CCC(=O)O[C@@H]1C=C[C@H](O[C@@H]1CO[Si](C)(C)C(C)(C)C)CC=C
InChI: InChI=1S/C18H32O4Si/c1-8-10-14-11-12-15(22-17(19)9-2)16(21-14)13-20-23(6,7)18(3,4)5/h8,11-12,14-16H,1,9-10,13H2,2-7H3/t14-,15-,16-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C=C7)OCCO)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl)OC)OC
InChI: InChI=1S/C39H31Cl2F5N6O9/c1-48-22-15-25(60-3)24(59-2)14-21(22)47-20(33(48)54)9-10-49-36(57)50-11-8-19-23(52(50)37(49)58)16-38(40)34(55)51(32-30(45)28(43)27(42)29(44)31(32)46)35(56)39(38,41)26(19)17-4-6-18(7-5-17)61-13-12-53/h4-8,14-15,23,26,53H,9-13,16H2,1-3H3/t23-,26+,38-,39+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)C3=C(N(C(=C3)C)CC4=CC=CO4)C
InChI: InChI=1S/C22H27N3O4/c1-14-7-4-5-9-22(14)20(27)25(21(28)23-22)13-19(26)18-11-15(2)24(16(18)3)12-17-8-6-10-29-17/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3,(H,23,28)/t14-,22+/m1/s1
SMILES: CC(=O)OC[C@]1(CO[C@H]([C@@H]1O)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6)O
InChI: InChI=1S/C28H26O12/c1-13(29)36-10-28(32)11-37-27(25(28)30)40-24-16-8-20(34-3)19(33-2)7-15(16)22(23-17(24)9-35-26(23)31)14-4-5-18-21(6-14)39-12-38-18/h4-8,25,27,30,32H,9-12H2,1-3H3/t25-,27-,28+/m0/s1
SMILES: CCO[C@H]1C[C@]2([C@@H](C[C@@H](C2=O)Cl)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C
InChI: InChI=1S/C20H25ClO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-18,22H,3-4,6,9-10H2,1-2H3/t14-,15-,16-,17-,18+,20-/m0/s1
SMILES: CN1CCN(CC1)CCCN([C@@H]2CC[C@]3([C@@H]2C3)C4=CC(=CC=C4)OC)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F
InChI: InChI=1S/C29H36F4N4O2/c1-35-13-15-36(16-14-35)11-4-12-37(27(38)34-21-7-8-25(30)23(18-21)29(31,32)33)26-9-10-28(19-24(26)28)20-5-3-6-22(17-20)39-2/h3,5-8,17-18,24,26H,4,9-16,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC[C@@H](CN2[C@@H](CCC[C@@H]2C)C)O)C(C)C
InChI: InChI=1S/C20H39NO2/c1-14(2)19-10-9-15(3)11-20(19)23-13-18(22)12-21-16(4)7-6-8-17(21)5/h14-20,22H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C16H20N2O2S/c1-20-15(19)11-4-6-13(7-5-11)17-16(21)18-14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3,(H2,17,18,21)/t10-,12-,14+/m0/s1
SMILES: C1CCC(C1)CCC(=O)N(CC2=CC=CC=C2F)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO
InChI: InChI=1S/C30H36FIN2O5/c31-23-10-4-3-9-21(23)19-34(28(36)14-13-20-7-1-2-8-20)25-17-22(30(38)33-15-16-35)18-27(29(25)37)39-26-12-6-5-11-24(26)32/h3-6,9-12,18,20,25,27,29,35,37H,1-2,7-8,13-17,19H2,(H,33,38)/t25-,27+,29+/m1/s1
SMILES: C1[C@@H]2COC3=C([C@@H]2C4=C(O1)C=CC(=C4)Br)C(=O)NC(=O)N3
InChI: InChI=1S/C14H11BrN2O4/c15-7-1-2-9-8(3-7)10-6(4-20-9)5-21-13-11(10)12(18)16-14(19)17-13/h1-3,6,10H,4-5H2,(H2,16,17,18,19)/t6-,10+/m1/s1
SMILES: CCOC1=CC(=C(C=C1NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)OCC)N3CCOCC3
InChI: InChI=1S/C22H30N2O6/c1-3-29-19-14-18(24-9-11-28-12-10-24)20(30-4-2)13-17(19)23-21(25)15-7-5-6-8-16(15)22(26)27/h5-6,13-16H,3-4,7-12H2,1-2H3,(H,23,25)(H,26,27)/t15-,16+/m0/s1
SMILES: C1=CC(=CC=C1C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O
InChI: InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-1-3-9(24)4-2-8/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](C=C[C@@H]([C@H]2O1)OCC3=CC=CC=C3)O)C
InChI: InChI=1S/C16H20O4/c1-16(2)19-14-12(17)8-9-13(15(14)20-16)18-10-11-6-4-3-5-7-11/h3-9,12-15,17H,10H2,1-2H3/t12-,13-,14+,15+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OS(=O)(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C16H22O10S2/c1-21-16-14(26-28(3,19)20)13(25-27(2,17)18)12-11(23-16)9-22-15(24-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3/t11-,12-,13+,14-,15-,16+/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C[C@]23CCC[C@@]4(C3=O)C[C@@H]4C5=C(C=C(C=C5)OC)OC)OC
InChI: InChI=1S/C26H30O5/c1-28-16-6-8-18(22(12-16)30-3)20-14-25(20)10-5-11-26(24(25)27)15-21(26)19-9-7-17(29-2)13-23(19)31-4/h6-9,12-13,20-21H,5,10-11,14-15H2,1-4H3/t20-,21-,25-,26-/m1/s1
SMILES: COC(=O)[C@@]1(CC2=C(C=CC(=C2)[N+](=O)[O-])N3[C@@H]1CCC3)C(=O)O
InChI: InChI=1S/C15H16N2O6/c1-23-14(20)15(13(18)19)8-9-7-10(17(21)22)4-5-11(9)16-6-2-3-12(15)16/h4-5,7,12H,2-3,6,8H2,1H3,(H,18,19)/t12-,15-/m1/s1
SMILES: C[C@]1([C@H](C=C[C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H36O4/c1-35(39-27-31-20-12-5-13-21-31)33(37-25-29-16-8-3-9-17-29)23-22-32(36-24-28-14-6-2-7-15-28)34(35)38-26-30-18-10-4-11-19-30/h2-23,32-34H,24-27H2,1H3/t32-,33-,34+,35+/m0/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O
InChI: InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1CCC4=CC(=C(C=C4)OC)OC)C(=O)O
InChI: InChI=1S/C23H27NO6/c1-13(2)11-18-23-9-7-16(30-23)19(22(26)27)20(23)21(25)24(18)10-8-14-5-6-15(28-3)17(12-14)29-4/h5-7,9,12,16,18-20H,1,8,10-11H2,2-4H3,(H,26,27)/t16-,18+,19+,20-,23-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2CC=C[C@H]2C3=C(N1)C=CC(=C3)C(=O)OCC
InChI: InChI=1S/C18H21NO4/c1-3-22-17(20)11-8-9-15-14(10-11)12-6-5-7-13(12)16(19-15)18(21)23-4-2/h5-6,8-10,12-13,16,19H,3-4,7H2,1-2H3/t12-,13+,16-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C37H40BrNO4/c1-2-3-4-5-6-7-8-9-10-15-23-43-36(42)25-17-16-18-26(24-25)39-34(40)32-31-27-19-11-13-21-29(27)37(38,33(32)35(39)41)30-22-14-12-20-28(30)31/h11-14,16-22,24,31-33H,2-10,15,23H2,1H3/t31?,32-,33-,37?/m1/s1
SMILES: CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C23H30N2O5/c1-4-15(2)17-8-10-18(11-9-17)19(26)14-30-20(27)13-25-21(28)23(24-22(25)29)12-6-5-7-16(23)3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,24,29)/t15-,16-,23-/m0/s1
SMILES: CC(C)(C)OC(=O)NC1=NC(=CS1)C(=O)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SCSC4=CN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C52H45N7O7S4/c1-51(2,3)66-50(64)55-49-53-38(30-68-49)43(60)45(61)54-41-46(62)59-42(48(63)65-44(33-19-9-4-10-20-33)34-21-11-5-12-22-34)39(31-67-47(41)59)69-32-70-40-29-58(57-56-40)52(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37/h4-30,41,44,47H,31-32H2,1-3H3,(H,54,61)(H,53,55,64)/t41-,47-/m1/s1
SMILES: CC/C=C/CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H22O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h3-4,8-16H,2,5-7H2,1H3/b4-3+/t8-,9-,10+,11-,12-/m1/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C5=CC=C(C=C5)C(=O)C)O)C
InChI: InChI=1S/C27H36N2O4/c1-17-5-4-6-20-15-23-24(25(31)27(17,20)3)22(26(32)33-23)16-28-11-13-29(14-12-28)21-9-7-19(8-10-21)18(2)30/h6-10,17,22-25,31H,4-5,11-16H2,1-3H3/t17-,22+,23-,24-,25+,27-/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@@H](C1)[Se]C3=CC=CC=C3)C(C(=O)N2CC4=CC=CC=C4)(Cl)Cl
InChI: InChI=1S/C21H21Cl2NOSe/c22-21(23)19-17(24(20(21)25)14-15-8-3-1-4-9-15)12-7-13-18(19)26-16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14H2/t17-,18-,19-/m1/s1
SMILES: C[C@@H]1[C@@]([N+]2=C(N1C3=CC=CC=C3)SCCC2)(C4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C19H20ClN2OS/c1-14-19(23,15-8-10-16(20)11-9-15)21-12-5-13-24-18(21)22(14)17-6-3-2-4-7-17/h2-4,6-11,14,23H,5,12-13H2,1H3/q+1/t14-,19+/m1/s1
SMILES: C1CC2[C@@H]([C@H](C1O2)CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C32H32OP2/c1-5-13-25(14-6-1)34(26-15-7-2-8-16-26)23-29-30(32-22-21-31(29)33-32)24-35(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-32H,21-24H2/t29-,30-,31?,32?/m1/s1
SMILES: C[C@H]1C[C@]([C@@H](C[NH+]1CC2=CC=CC=C2)C)(C3CCCCC3)O
InChI: InChI=1S/C20H31NO/c1-16-14-21(15-18-9-5-3-6-10-18)17(2)13-20(16,22)19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19,22H,4,7-8,11-15H2,1-2H3/p+1/t16-,17+,20+/m1/s1
SMILES: CC(=O)C1=C(C=C(C(=C1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C56H54O9/c1-40(57)50-47(60-34-42-22-10-3-11-23-42)32-48(61-35-43-24-12-4-13-25-43)51(52(50)58)54-56(64-38-46-30-18-7-19-31-46)55(63-37-45-28-16-6-17-29-45)53(62-36-44-26-14-5-15-27-44)49(65-54)39-59-33-41-20-8-2-9-21-41/h2-32,49,53-56,58H,33-39H2,1H3/t49-,53-,54+,55+,56+/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=CC(=CC=C2)F)C(=O)O)C
InChI: InChI=1S/C16H18FNO3/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)18-12-5-3-4-11(17)8-12/h3-5,8,13-14H,6-7H2,1-2H3,(H,18,19)(H,20,21)/t13-,14-/m1/s1
SMILES: C[C@]12CC/C(=N/OC3=CC=C(C=C3)C#N)/C[C@@H]1CCC4C2CC[C@]5(C4CC[C@@H]5O)C
InChI: InChI=1S/C26H34N2O2/c1-25-13-11-19(28-30-20-6-3-17(16-27)4-7-20)15-18(25)5-8-21-22-9-10-24(29)26(22,2)14-12-23(21)25/h3-4,6-7,18,21-24,29H,5,8-15H2,1-2H3/b28-19-/t18-,21?,22?,23?,24-,25-,26-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC=C(C6=CC=CC=C56)O)C(=O)N(C4=O)N(C)C7=C(C=CC(=N7)C(F)(F)F)Cl)Cl
InChI: InChI=1S/C32H24Cl3F3N4O5/c1-40-28(46)30(34)13-19-17(24(31(30,35)29(40)47)16-9-11-21(43)15-6-4-3-5-14(15)16)7-8-18-23(19)27(45)42(26(18)44)41(2)25-20(33)10-12-22(39-25)32(36,37)38/h3-7,9-12,18-19,23-24,43H,8,13H2,1-2H3/t18-,19+,23-,24-,30+,31-/m0/s1
SMILES: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4CCCNC(=O)C5[C@H]([C@H](N5C(=O)C(NC(=O)C(NC(=O)C6C[C@H](CN6C(=O)C(NC4=O)C(C)O)O)CCC7=CC=C(C=C7)O)C(C)O)O)O
InChI: InChI=1S/C56H69N7O14/c1-4-5-6-28-77-41-24-20-37(21-25-41)35-14-12-34(13-15-35)36-16-18-38(19-17-36)49(69)58-42-8-7-27-57-53(73)47-48(68)56(76)63(47)55(75)46(32(3)65)61-51(71)43(26-11-33-9-22-39(66)23-10-33)59-52(72)44-29-40(67)30-62(44)54(74)45(31(2)64)60-50(42)70/h9-10,12-25,31-32,40,42-48,56,64-68,76H,4-8,11,26-30H2,1-3H3,(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t31?,32?,40-,42+,43?,44?,45?,46?,47?,48-,56-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C
InChI: InChI=1S/C17H26N4O5/c1-10-6-5-7-14(11(10)2)18-15(22)9-26-16(23)8-20-13(4)17(21(24)25)12(3)19-20/h10-11,14H,5-9H2,1-4H3,(H,18,22)/t10-,11-,14+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C16H19NO5/c1-9-5-12(9)16(19)22-10(2)15(18)17-7-11-3-4-13-14(6-11)21-8-20-13/h3-4,6,9-10,12H,5,7-8H2,1-2H3,(H,17,18)/t9-,10+,12+/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@@H]([C@@H]1OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H22O9/c1-10(20)24-16-15-14(9-23-18(28-15)13-7-5-4-6-8-13)27-19(26-12(3)22)17(16)25-11(2)21/h4-8,14-19H,9H2,1-3H3/t14-,15+,16+,17-,18?,19+/m1/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)C5=NC=CS5
InChI: InChI=1S/C14H12N2O2S/c17-11-9-7-1-2-8(14(7)3-4-14)10(9)12(18)16(11)13-15-5-6-19-13/h1-2,5-10H,3-4H2/t7-,8+,9-,10-/m0/s1
SMILES: CCCCC/C(=C/[C@@H]([C@@H]1[C@H](C2(CC1=O)OCC(CO2)(C3=CC=CC=C3)C4=CC=CC=C4)CCCCCCC(=O)OC)O)/[Si](C)(C)C5=CC=CC=C5
InChI: InChI=1S/C44H58O6Si/c1-5-6-12-27-37(51(3,4)36-25-17-11-18-26-36)30-39(45)42-38(28-19-7-8-20-29-41(47)48-2)44(31-40(42)46)49-32-43(33-50-44,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h9-11,13-18,21-26,30,38-39,42,45H,5-8,12,19-20,27-29,31-33H2,1-4H3/b37-30-/t38-,39+,42+/m1/s1
SMILES: CC1(CC(=C2CC1C2)CCOC3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N)C
InChI: InChI=1S/C21H29N5O5/c1-21(2)7-10(11-5-12(21)6-11)3-4-30-20-24-17(22)14-18(25-20)26(9-23-14)19-16(29)15(28)13(8-27)31-19/h9,12-13,15-16,19,27-29H,3-8H2,1-2H3,(H2,22,24,25)/t13-,15-,16-,19-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4(C1O4)C)OC(=O)C(C)C)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28?,31+,32+/m1/s1
SMILES: CC1=CC(=CC=C1)C(=O)N2[C@H](C[C@]3([C@H]2NC(=O)C3)C)C4=CC=CC=C4OC(=O)C5=CC=CC(=C5)C
InChI: InChI=1S/C29H28N2O4/c1-18-8-6-10-20(14-18)26(33)31-23(16-29(3)17-25(32)30-28(29)31)22-12-4-5-13-24(22)35-27(34)21-11-7-9-19(2)15-21/h4-15,23,28H,16-17H2,1-3H3,(H,30,32)/t23-,28+,29-/m1/s1
SMILES: C[C@H]1C/C=C/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C\C2=CSC(=N2)C)/C)/C
InChI: InChI=1S/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8-9,11,13,15,17,19,22-23,25,29,31H,10,12,14H2,1-7H3/b9-8+,16-11-,18-13-/t17-,19+,22-,23-,25-/m0/s1
SMILES: COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI: InChI=1S/C31H28O14/c1-41-23-9-15(4-6-19(23)34)30-24(12-17-20(35)10-16(32)11-22(17)43-30)44-31-29(40)28(39)27(38)25(45-31)13-42-26(37)7-3-14-2-5-18(33)21(36)8-14/h2-12,25,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t25-,27+,28+,29-,31-/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)C
InChI: InChI=1S/C22H25NO5/c1-11-4-5-14(8-12(11)2)17(24)10-28-22(27)13(3)23-20(25)18-15-6-7-16(9-15)19(18)21(23)26/h4-5,8,13,15-16,18-19H,6-7,9-10H2,1-3H3/t13-,15-,16+,18-,19+/m1/s1
SMILES: C[C@]12C[C@H](C3(C45[C@H]1C(=O)[C@@](O4)([C@@H]6CC=C7CC=CC(=O)[C@@]7(C6CCC5(C(=O)O3)O)C)O)C)OC(=O)C2=C
InChI: InChI=1S/C28H30O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3/t15?,16-,18-,19+,23-,24+,25?,26?,27+,28?/m1/s1
SMILES: CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C.C(C(CO)O)O
InChI: InChI=1S/C20H30O2.C3H8O3/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;4-1-3(6)2-5/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);3-6H,1-2H2/t16-,17+,19+,20+;/m0./s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN[C@H]1C2=CC=C(C=C2)OC)C3=CN=CC=C3
InChI: InChI=1S/C19H22N2O3/c1-3-24-19(22)17-16(14-5-4-10-20-11-14)12-21-18(17)13-6-8-15(23-2)9-7-13/h4-11,16-18,21H,3,12H2,1-2H3/t16-,17-,18+/m1/s1
SMILES: CC(=O)O.C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI: InChI=1S/C21H20O10.C2H4O2/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9;1-2(3)4/h1-7,16,18-24,26-28H,8H2;1H3,(H,3,4)/t16-,18-,19+,20-,21-;/m1./s1
SMILES: CCOC(=O)C1=CC[C@]2([C@@H]1CC[C@@]23C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)OCC
InChI: InChI=1S/C30H32N2O6/c1-3-37-25(33)23-15-17-29(27(35)38-4-2)24(23)16-18-30(29)26(34)31(19-21-11-7-5-8-12-21)28(36)32(30)20-22-13-9-6-10-14-22/h5-15,24H,3-4,16-20H2,1-2H3/t24-,29+,30-/m1/s1
SMILES: CCN1C(=NN=C1SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)C4=CC(=CC=C4)NC(=O)C
InChI: InChI=1S/C21H27N5O2S/c1-3-26-20(16-5-4-6-17(11-16)22-13(2)27)24-25-21(26)29-12-19(28)23-18-10-14-7-8-15(18)9-14/h4-6,11,14-15,18H,3,7-10,12H2,1-2H3,(H,22,27)(H,23,28)/t14-,15-,18+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC(=C(C=C9)C)Cl)O
InChI: InChI=1S/C43H38Cl2N4O6S/c1-6-55-33-15-22(8-13-32(33)50)37-25-11-12-26-36(41(53)48(39(26)51)24-10-7-20(2)30(45)17-24)28(25)18-29-40(52)49(42(54)43(29,37)4)35-19-31(46-47(35)5)38-21(3)27-16-23(44)9-14-34(27)56-38/h7-11,13-17,19,26,28-29,36-37,50H,6,12,18H2,1-5H3/t26-,28+,29-,36-,37-,43+/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CN5CCC[C@H]5CO
InChI: InChI=1S/C36H45N3O7/c1-3-44-33(42)20-38-36(43)37-19-26-6-4-7-30(18-26)27-13-15-29(16-14-27)35-45-32(21-39-17-5-8-31(39)23-41)24(2)34(46-35)28-11-9-25(22-40)10-12-28/h4,6-7,9-16,18,24,31-32,34-35,40-41H,3,5,8,17,19-23H2,1-2H3,(H2,37,38,43)/t24-,31-,32+,34+,35+/m0/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)CC(C)C
InChI: InChI=1S/C24H28N2O4/c1-4-14-29-19-12-10-17(11-13-19)25-23(27)21-20(15-16(2)3)26(30-22(21)24(25)28)18-8-6-5-7-9-18/h5-13,16,20-22H,4,14-15H2,1-3H3/t20-,21+,22-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(OCCC#N)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C(N=CN=C87)NC(=O)C9=CC=CC=C9)O
InChI: InChI=1S/C51H51N8O12PS/c1-32-27-58(50(63)57-48(32)61)44-26-40(42(70-44)28-66-51(34-13-8-5-9-14-34,35-15-19-37(64-2)20-16-35)36-17-21-38(65-3)22-18-36)71-72(73,67-24-10-23-52)68-29-41-39(60)25-43(69-41)59-31-55-45-46(53-30-54-47(45)59)56-49(62)33-11-6-4-7-12-33/h4-9,11-22,27,30-31,39-44,60H,10,24-26,28-29H2,1-3H3,(H,57,61,63)(H,53,54,56,62)/t39-,40-,41+,42+,43+,44+,72?/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)CN2C(=CC(=N2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N[C@H]4CCCC[C@@H]4OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C38H44ClN5O6S/c39-29-16-11-17-30(22-29)51(47,48)43-36-23-33(38(46)41-32-19-8-10-21-35(32)50-26-28-14-5-2-6-15-28)44(42-36)24-37(45)40-31-18-7-9-20-34(31)49-25-27-12-3-1-4-13-27/h1-6,11-17,22-23,31-32,34-35H,7-10,18-21,24-26H2,(H,40,45)(H,41,46)(H,42,43)/t31-,32-,34-,35-/m0/s1
SMILES: CC(C)(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)O/N=C(/C3=CSC(=N3)N)\C(=O)N[C@H]4[C@@H]5N(C4=O)C(=C(CS5)CSC6=NN=NN6C)C(=O)O
InChI: InChI=1S/C32H31N9O7S3/c1-32(2,29(46)47-24(17-10-6-4-7-11-17)18-12-8-5-9-13-18)48-37-21(20-16-50-30(33)34-20)25(42)35-22-26(43)41-23(28(44)45)19(14-49-27(22)41)15-51-31-36-38-39-40(31)3/h4-13,16,22,24,27H,14-15H2,1-3H3,(H2,33,34)(H,35,42)(H,44,45)/b37-21-/t22-,27-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(=O)NC(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChI: InChI=1S/C17H25N3O6/c1-9(2)18-17(25)19-13(21)8-26-16(24)10(3)20-14(22)11-6-4-5-7-12(11)15(20)23/h9-12H,4-8H2,1-3H3,(H2,18,19,21,25)/t10-,11+,12+/m0/s1
SMILES: C/C(=C\C1=CC=CC=C1)/CN2CCN3CCC[C@@H]3[C@@H]2C4CCCCC4
InChI: InChI=1S/C23H34N2/c1-19(17-20-9-4-2-5-10-20)18-25-16-15-24-14-8-13-22(24)23(25)21-11-6-3-7-12-21/h2,4-5,9-10,17,21-23H,3,6-8,11-16,18H2,1H3/b19-17+/t22-,23+/m1/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@H]([C@@H]5N3CCC5)C(=O)N(C4=O)C6=CC(=CC=C6)Br)Cl
InChI: InChI=1S/C23H19BrClN3O3/c1-11-15(25)8-7-14-19(11)26-22(31)23(14)18-17(16-6-3-9-27(16)23)20(29)28(21(18)30)13-5-2-4-12(24)10-13/h2,4-5,7-8,10,16-18H,3,6,9H2,1H3,(H,26,31)/t16-,17+,18+,23+/m1/s1
SMILES: CO[C@@]1(C[C@@H]1C(=O)N/N=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H24N2O3/c1-29-25(21-10-6-3-7-11-21)16-23(25)24(28)27-26-17-19-12-14-22(15-13-19)30-18-20-8-4-2-5-9-20/h2-15,17,23H,16,18H2,1H3,(H,27,28)/b26-17-/t23-,25+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)N(CCO[C@H]2C[C@@H]3CC[C@]2(C3(C)C)C)C4CCCCC4
InChI: InChI=1S/C26H40N2O2/c1-19-10-8-9-13-22(19)27-24(29)28(21-11-6-5-7-12-21)16-17-30-23-18-20-14-15-26(23,4)25(20,2)3/h8-10,13,20-21,23H,5-7,11-12,14-18H2,1-4H3,(H,27,29)/t20-,23-,26+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CCCCCC(=O)O
InChI: InChI=1S/C32H29Cl2FN2O7/c33-31-16-23-21(13-14-22-25(23)28(42)36(27(22)41)15-3-1-2-4-24(39)40)26(17-5-11-20(38)12-6-17)32(31,34)30(44)37(29(31)43)19-9-7-18(35)8-10-19/h5-13,22-23,25-26,38H,1-4,14-16H2,(H,39,40)/t22-,23+,25-,26-,31+,32-/m0/s1
SMILES: C1CN(CCN1C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H23N3O5S/c24-18(14-23-19(25)16-8-4-5-9-17(16)20(23)26)21-10-12-22(13-11-21)29(27,28)15-6-2-1-3-7-15/h1-7,16-17H,8-14H2/t16-,17-/m0/s1
SMILES: CC1=CC(=O)[C@@]2([C@]3([C@@H]1C[C@H](O2)[C@]4([C@@H]3C(=O)OC4)[C@@H](CC(=O)O)[C@H](C)C(=O)O)C)O
InChI: InChI=1S/C20H24O9/c1-8-4-12(21)20(27)18(3)10(8)5-13(29-20)19(7-28-17(26)15(18)19)11(6-14(22)23)9(2)16(24)25/h4,9-11,13,15,27H,5-7H2,1-3H3,(H,22,23)(H,24,25)/t9-,10+,11-,13-,15+,18-,19+,20+/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@]3([C@@]1(CC4=C(O3)C(=O)C=C(C4=O)N)C)CCCC2(C)C
InChI: InChI=1S/C21H29NO3/c1-12-6-7-16-19(2,3)8-5-9-21(16)20(12,4)11-13-17(24)14(22)10-15(23)18(13)25-21/h10,12,16H,5-9,11,22H2,1-4H3/t12-,16+,20+,21-/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC)OCC=C)CCCCO)CCCCO)C(=O)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C48H58N4O12/c1-4-21-51(46(55)33-15-19-41-42(26-33)60-30-59-41)43-28-39(50-62-29-31-13-16-34(17-14-31)52(57)58)37-25-32(11-7-9-22-53)36(12-8-10-23-54)44-38-27-35(63-47(56)49-6-3)18-20-40(38)64-48(43,45(37)44)61-24-5-2/h5,13-20,25-27,32,36,43-45,53-54H,2,4,6-12,21-24,28-30H2,1,3H3,(H,49,56)/t32-,36+,43-,44+,45+,48+/m0/s1
SMILES: CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C23H31N3O5/c1-4-25(5-2)20(28)19(17-12-7-6-8-13-17)31-18(27)15-26-21(29)23(24-22(26)30)14-10-9-11-16(23)3/h6-8,12-13,16,19H,4-5,9-11,14-15H2,1-3H3,(H,24,30)/t16-,19-,23-/m0/s1
SMILES: CC1=CC(=CC=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)OC)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C28H20ClNO6/c1-14-6-5-7-15(12-14)23-21-22(28(36-23)24(31)17-8-3-4-9-18(17)25(28)32)27(34)30(26(21)33)19-13-16(29)10-11-20(19)35-2/h3-13,21-23H,1-2H3/t21-,22+,23+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CC(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C23H28O6/c1-25-21(24)14-19-13-20(27-15-17-9-5-3-6-10-17)22(23(26-2)29-19)28-16-18-11-7-4-8-12-18/h3-12,19-20,22-23H,13-16H2,1-2H3/t19-,20-,22+,23-/m0/s1
SMILES: C[C@H]1CC[C@]2(C[C@H](C[C@H](O2)C/C=C(\C)/C[C@@H](C)/C=C/C=C(\C(=O)OC)/[C@@]3(C[C@@H](C(=C[C@H]3C(=O)OCC[Si](C)(C)C)C)OC)O)O[Si](C)(C)C(C)(C)C)O[C@@H]1C(C)C
InChI: InChI=1S/C46H80O9Si2/c1-31(2)41-34(5)22-23-45(54-41)29-37(55-57(15,16)44(7,8)9)28-36(53-45)21-20-33(4)26-32(3)18-17-19-38(42(47)51-11)46(49)30-40(50-10)35(6)27-39(46)43(48)52-24-25-56(12,13)14/h17-20,27,31-32,34,36-37,39-41,49H,21-26,28-30H2,1-16H3/b18-17+,33-20+,38-19+/t32-,34-,36+,37-,39-,40-,41+,45+,46+/m0/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])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/C51H58N4O13/c1-3-26-65-51-47(53(2)50(58)64-28-27-63-33-35-12-5-4-6-13-35)32-45(52-66-34-36-18-20-38(21-19-36)54(59)60)43-29-37(14-7-9-24-56)42(17-8-10-25-57)48(49(43)51)44-31-41(22-23-46(44)68-51)67-40-16-11-15-39(30-40)55(61)62/h3-6,11-13,15-16,18-23,29-31,37,42,47-49,56-57H,1,7-10,14,17,24-28,32-34H2,2H3/t37-,42+,47-,48+,49+,51+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CN(C)[C@@H](C)C6=CC=CC=C6
InChI: InChI=1S/C37H38N4O4/c1-24-34(22-41(3)25(2)27-10-5-4-6-11-27)44-37(45-35(24)28-18-16-26(23-42)17-19-28)29-12-9-13-30(20-29)39-36(43)33-21-38-31-14-7-8-15-32(31)40-33/h4-21,24-25,34-35,37,42H,22-23H2,1-3H3,(H,39,43)/t24-,25+,34+,35+,37+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C(=CC=C5)OC)O)C(=O)NC4=O
InChI: InChI=1S/C24H21NO6/c1-10-8-16(26)20-15(21(10)27)9-14-11(6-7-13-19(14)24(30)25-23(13)29)18(20)12-4-3-5-17(31-2)22(12)28/h3-6,8,13-14,18-19,28H,7,9H2,1-2H3,(H,25,29,30)/t13-,14+,18+,19-/m0/s1