EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CC[C@@]3(CCCC[C@H]3[C@@H]2C4=CC=C(C=C4)F)O
InChI: InChI=1S/C27H32FNO2/c1-19(2)21-9-6-20(7-10-21)8-15-25(30)29-18-17-27(31)16-4-3-5-24(27)26(29)22-11-13-23(28)14-12-22/h6-15,19,24,26,31H,3-5,16-18H2,1-2H3/b15-8+/t24-,26-,27+/m0/s1
SMILES: COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H23NO3S/c1-25-21(24)18-14-10-6-3-7-11-17(14)26-20(18)22-19(23)16-12-15(16)13-8-4-2-5-9-13/h2,4-5,8-9,15-16H,3,6-7,10-12H2,1H3,(H,22,23)/t15-,16+/m1/s1
SMILES: C[C@H]1[C@]2(CCC3C(C2CC(=O)O1)CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C20H30O3/c1-12-19(2)9-7-16-15(17(19)11-18(22)23-12)5-4-13-10-14(21)6-8-20(13,16)3/h4,12,14-17,21H,5-11H2,1-3H3/t12-,14-,15?,16?,17?,19+,20-/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3([C@H](C[C@@H]4C(=C)CCC(=O)O)O)C)C)O)(C)CO)O
InChI: InChI=1S/C27H40O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h15-16,18-20,28-29,31-32H,1,6-13H2,2-5H3,(H,33,34)/t15-,16+,18-,19+,20+,24+,25+,26-,27+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SC(=O)C
InChI: InChI=1S/C12H16N2O5S/c1-6-4-14(12(18)13-11(6)17)10-3-9(20-7(2)16)8(5-15)19-10/h4,8-10,15H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10-/m1/s1
SMILES: CC1(C[C@@H]2[C@H]([C@]3(C1)OCC4=C(O3)C=CC(=C4)C5=CC=CC=N5)OC(=O)O2)C
InChI: InChI=1S/C21H21NO5/c1-20(2)10-17-18(26-19(23)25-17)21(12-20)24-11-14-9-13(6-7-16(14)27-21)15-5-3-4-8-22-15/h3-9,17-18H,10-12H2,1-2H3/t17-,18-,21-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)OC)ON2C5=CC=CC=C5
InChI: InChI=1S/C28H28N2O4/c1-28(2,3)19-12-10-18(11-13-19)24-23-25(34-30(24)21-8-6-5-7-9-21)27(32)29(26(23)31)20-14-16-22(33-4)17-15-20/h5-17,23-25H,1-4H3/t23-,24-,25-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)C(=O)O
InChI: InChI=1S/C21H25NO5/c23-14-4-3-12-9-15-21(26)6-5-13(19(24)25)18-20(21,16(12)17(14)27-18)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23,26H,1-2,5-10H2,(H,24,25)/t13?,15-,18+,20+,21-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C2=C(C=CC(=C2O)/C=C/C(=O)N3CCCCC3)OC1(C)C)N4CCCCC4
InChI: InChI=1S/C26H36N2O5/c1-18(29)32-25-23(28-16-8-5-9-17-28)22-20(33-26(25,2)3)12-10-19(24(22)31)11-13-21(30)27-14-6-4-7-15-27/h10-13,23,25,31H,4-9,14-17H2,1-3H3/b13-11+/t23-,25-/m0/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=N)N2C3=CC=C(C=C3)OC(F)(F)F
InChI: InChI=1S/C12H11F3N2O3S2/c13-12(14,15)20-8-3-1-7(2-4-8)17-9-5-22(18,19)6-10(9)21-11(17)16/h1-4,9-10,16H,5-6H2/t9-,10-/m1/s1
SMILES: C[C@@H]([C@H]1[C@H](C(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C19H21NO3/c1-14(21)17-18(23-13-16-10-6-3-7-11-16)19(22)20(17)12-15-8-4-2-5-9-15/h2-11,14,17-18,21H,12-13H2,1H3/t14-,17-,18+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC
InChI: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34+,36+,37-,38-,39+,40+,44+/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)NC(=O)C4=CC=CC=C4)CSC5=NN=C(S5)C
InChI: InChI=1S/C29H29N3O4S2/c1-18-25(17-37-29-32-31-19(2)38-29)35-28(36-26(18)21-10-8-20(16-33)9-11-21)23-12-14-24(15-13-23)30-27(34)22-6-4-3-5-7-22/h3-15,18,25-26,28,33H,16-17H2,1-2H3,(H,30,34)/t18-,25+,26+,28+/m1/s1
SMILES: CN1C[C@H]([C@]2([C@@]13C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=CC=C6NC2=O)[C]7[CH][CH][CH][CH]7.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C28H21N2O2.C5H5.Fe/c1-30-16-22(17-8-2-3-9-17)27(20-13-4-5-15-23(20)29-26(27)32)28(30)21-14-7-11-18-10-6-12-19(24(18)21)25(28)31;1-2-4-5-3-1;/h2-15,22H,16H2,1H3,(H,29,32);1-5H;/q;;+2/t22-,27+,28-;;/m0../s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C
InChI: InChI=1S/C18H25NO5S/c1-12-5-4-6-16(13(12)2)19-17(20)11-24-18(21)14-7-9-15(10-8-14)25(3,22)23/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,19,20)/t12-,13-,16-/m1/s1
SMILES: CN1C(=CC(=O)N(C1=O)C)C2[C@H]3[C@@H]2C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C17H14N2O4/c1-18-10(7-11(20)19(2)17(18)23)12-13-14(12)16(22)9-6-4-3-5-8(9)15(13)21/h3-7,12-14H,1-2H3/t12?,13-,14+
SMILES: CCOC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)OC)C
InChI: InChI=1S/C24H29NO7/c1-4-29-24(27)25-19-16(2)31-23(28-3)21(30-15-17-11-7-5-8-12-17)20(19)32-22(26)18-13-9-6-10-14-18/h5-14,16,19-21,23H,4,15H2,1-3H3,(H,25,27)/t16-,19+,20+,21-,23+/m1/s1
SMILES: C[C@]12CCC(=C[C@H]1CC[C@@H]2OC(C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C17H32O2Si/c1-16(2,3)18-15-9-8-13-12-14(19-20(5,6)7)10-11-17(13,15)4/h12-13,15H,8-11H2,1-7H3/t13-,15+,17+/m1/s1
SMILES: CCOC1=CC=CC=C1NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O4/c1-3-25-16-11-7-6-10-15(16)20-17(22)12(2)21-18(23)13-8-4-5-9-14(13)19(21)24/h4-7,10-14H,3,8-9H2,1-2H3,(H,20,22)/t12-,13-,14+/m0/s1
SMILES: CC(C)(C)CCC#C[C@@H]1C[C@H]1C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C33H34N2/c1-32(2,3)22-14-13-15-26-23-30(26)31-24-35(25-34-31)33(27-16-7-4-8-17-27,28-18-9-5-10-19-28)29-20-11-6-12-21-29/h4-12,16-21,24-26,30H,14,22-23H2,1-3H3/t26-,30-/m1/s1
SMILES: CC1=NN2[C@H]([C@@H]3C(=O)C[C@@H](C=C3NC2=N1)C4=CC=CO4)C5=CC(=CC(=C5)F)F
InChI: InChI=1S/C20H16F2N4O2/c1-10-23-20-24-15-7-11(17-3-2-4-28-17)8-16(27)18(15)19(26(20)25-10)12-5-13(21)9-14(22)6-12/h2-7,9,11,18-19H,8H2,1H3,(H,23,24,25)/t11-,18+,19+/m1/s1
SMILES: CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C
InChI: InChI=1S/C27H33NO5S/c1-5-7-8-18-9-11-19(12-10-18)22-15-34-25(23(22)27(32)33-6-2)28-24(29)20-13-16(3)17(4)14-21(20)26(30)31/h9-12,15,20-21H,5-8,13-14H2,1-4H3,(H,28,29)(H,30,31)/p-1/t20-,21+/m0/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)OC(=O)CC5CCCCC5)C)C
InChI: InChI=1S/C35H58O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h14,24-26,28-32H,6-13,15-23H2,1-5H3/t25-,28-,29+,30+,31-,32+,34-,35+/m0/s1
SMILES: CC12[C@@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C25H18BrNO2/c1-25-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)25)21-22(25)24(29)27(23(21)28)15-12-10-14(26)11-13-15/h2-13,20-22H,1H3/t20?,21-,22+,25?/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC(=C(C=C2)OC(F)F)OC
InChI: InChI=1S/C16H18F2N2O4S/c1-4-23-14(21)12-8(2)19-16(25)20-13(12)9-5-6-10(24-15(17)18)11(7-9)22-3/h5-7,12-13,15H,2,4H2,1,3H3,(H2,19,20,25)/t12-,13+/m1/s1
SMILES: C[C@@]1\2CC[C@H]3[C@@H]([C@@H]1CC/C2=N/NC(=O)C4=CC=NC=C4)CC[C@@H]5[C@@]3(CC=CC5)C
InChI: InChI=1S/C25H33N3O/c1-24-13-4-3-5-18(24)6-7-19-20-8-9-22(25(20,2)14-10-21(19)24)27-28-23(29)17-11-15-26-16-12-17/h3-4,11-12,15-16,18-21H,5-10,13-14H2,1-2H3,(H,28,29)/b27-22-/t18-,19-,20+,21+,24+,25-/m1/s1
SMILES: CC/C=C\1/C=CC(=O)[C@@H]([C@@]12C(=O)C(=C)N(C2=O)OC)O
InChI: InChI=1S/C14H15NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h5-7,12,18H,2,4H2,1,3H3/b9-5-/t12-,14-/m0/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)OC3=CC=CC=C3CO[N+](=O)[O-])O)O)O
InChI: InChI=1S/C30H41NO10/c1-4-18(2)30(36)41-27-15-23(33)13-20-10-9-19(3)25(29(20)27)12-11-22(32)14-24(34)16-28(35)40-26-8-6-5-7-21(26)17-39-31(37)38/h5-10,13,18-19,22-25,27,29,32-34H,4,11-12,14-17H2,1-3H3/t18-,19-,22+,23+,24+,25-,27-,29-/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O1)O2)N=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C20H21N3O4/c21-23-22-17-19(25-12-15-9-5-2-6-10-15)18(16-13-26-20(17)27-16)24-11-14-7-3-1-4-8-14/h1-10,16-20H,11-13H2/t16-,17-,18+,19-,20+/m1/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)C=CC8=CC(=C(C(=C8)OC)O)OC)C(=O)N(C7=O)CC9=CC=CC=C9)C
InChI: InChI=1S/C45H41ClN4O7S/c1-23-29-19-26(46)12-16-36(29)58-40(23)33-21-37(48(3)47-33)50-42(53)32-20-30-27(13-14-28-38(30)43(54)49(41(28)52)22-24-9-7-6-8-10-24)31(45(32,2)44(50)55)15-11-25-17-34(56-4)39(51)35(18-25)57-5/h6-13,15-19,21,28,30-32,38,51H,14,20,22H2,1-5H3/t28-,30+,31-,32-,38-,45-/m0/s1
SMILES: COC1[C@@H]([C@H]([C@@H](CO1)OS(=O)(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H26O7S/c1-24-21-20(26-14-17-11-7-4-8-12-17)19(18(15-27-21)28-29(2,22)23)25-13-16-9-5-3-6-10-16/h3-12,18-21H,13-15H2,1-2H3/t18-,19+,20-,21?/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC=CC=C3N2C(=O)C)C(=O)OC
InChI: InChI=1S/C19H19NO3/c1-12-8-10-14(11-9-12)18-17(19(22)23-3)15-6-4-5-7-16(15)20(18)13(2)21/h4-11,17-18H,1-3H3/t17-,18+/m0/s1
SMILES: C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)C
InChI: InChI=1S/C28H50O3Si/c1-18(17-31-32(7,8)26(2,3)4)21-9-10-22-25-23(12-14-28(21,22)6)27(5)13-11-20(29)15-19(27)16-24(25)30/h18-19,21-25,30H,9-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25+,27+,28-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5/C(=N/OC6=CC=C(C=C6)C#N)/CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O
InChI: InChI=1S/C27H27N3O4/c28-14-16-3-6-19(7-4-16)34-29-20-9-10-27(32)22-13-18-5-8-21(31)24-23(18)26(27,25(20)33-24)11-12-30(22)15-17-1-2-17/h3-8,17,22,25,31-32H,1-2,9-13,15H2/b29-20+/t22-,25+,26+,27-/m1/s1
SMILES: CC(=C[C@H]1[C@H](C1(C)C)C(=O)NC2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])C
InChI: InChI=1S/C20H22N2O3/c1-12(2)11-15-18(20(15,3)4)19(23)21-16-9-10-17(22(24)25)14-8-6-5-7-13(14)16/h5-11,15,18H,1-4H3,(H,21,23)/t15-,18-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H28ClNO3/c1-15-6-2-3-7-18(15)23-19(24)14-26-20(25)21(12-4-5-13-21)16-8-10-17(22)11-9-16/h8-11,15,18H,2-7,12-14H2,1H3,(H,23,24)/t15-,18-/m0/s1
SMILES: C[C@H]1C[C@H]([C@@H]([C@@H](C=C([C@H]([C@@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCN)OC
InChI: InChI=1S/C34H48N4O9/c1-8-14-37-29-23-15-19(2)16-27(45-7)32(46-28(40)12-13-35)22(5)17-21(4)31(47-34(36)43)26(44-6)11-9-10-20(3)33(42)38-24(30(23)41)18-25(29)39/h8-11,17-19,22,26-27,31-32,37H,1,12-16,35H2,2-7H3,(H2,36,43)(H,38,42)/t19-,22-,26-,27-,31-,32-/m1/s1
SMILES: CC(=O)N1[C@H]([C@H]2COC([C@H]([C@H]2OC(=O)C)[C@@H]1C3=CC=CC=C3)(C)C)C4=CC=CC=C4
InChI: InChI=1S/C25H29NO4/c1-16(27)26-22(18-11-7-5-8-12-18)20-15-29-25(3,4)21(24(20)30-17(2)28)23(26)19-13-9-6-10-14-19/h5-14,20-24H,15H2,1-4H3/t20-,21+,22+,23+,24+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)C(C)C
InChI: InChI=1S/C18H19Cl4NO2/c1-7(2)9-5-4-8(3)6-10(9)23-17(24)11-12(18(23)25)14(20)16(22)15(21)13(11)19/h7-10H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
SMILES: CCC1=NN=C(S1)NC(=O)N[C@H]2CCCC[C@@H]2CN3CC(C3)OC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C21H27Cl2N5O2S/c1-2-19-26-27-21(31-19)25-20(29)24-18-6-4-3-5-13(18)10-28-11-15(12-28)30-14-7-8-16(22)17(23)9-14/h7-9,13,15,18H,2-6,10-12H2,1H3,(H2,24,25,27,29)/t13-,18+/m1/s1
SMILES: CC1=C(C(=C(C=C1)O)C(=O)CCC2=CC3=C(C=C2)OC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C24H26O9/c1-12-2-5-15(26)19(16(27)6-3-13-4-7-17-14(10-13)8-9-31-17)23(12)33-24-22(30)21(29)20(28)18(11-25)32-24/h2,4-5,7-10,18,20-22,24-26,28-30H,3,6,11H2,1H3/t18-,20-,21+,22-,24+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C
InChI: InChI=1S/C14H22O4/c1-8-4-5-11-9(2)15-12-14(11)10(8)6-7-13(3,16-12)17-18-14/h8-12H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-/m1/s1
SMILES: CCCC(=O)C1=CC2=C(O1)C[C@@H]3CC[C@H]4[C@@H]5CC[C@@H]([C@]5(CC[C@@H]4[C@]3(C2)C)C)O
InChI: InChI=1S/C25H36O3/c1-4-5-20(26)22-12-15-14-25(3)16(13-21(15)28-22)6-7-17-18-8-9-23(27)24(18,2)11-10-19(17)25/h12,16-19,23,27H,4-11,13-14H2,1-3H3/t16-,17-,18-,19-,23-,24-,25-/m0/s1
SMILES: CC(=O)[C@@H]1[C@H](C(=C(C[C@]1(C)O)NC2=CC=C(C=C2)Br)C(=O)C)C3=CC=CC=C3
InChI: InChI=1S/C23H24BrNO3/c1-14(26)20-19(25-18-11-9-17(24)10-12-18)13-23(3,28)22(15(2)27)21(20)16-7-5-4-6-8-16/h4-12,21-22,25,28H,13H2,1-3H3/t21-,22+,23-/m0/s1
SMILES: C1[C@H]([C@@H](CC1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H14F2O/c18-13-5-1-11(2-6-13)16-9-15(20)10-17(16)12-3-7-14(19)8-4-12/h1-8,16-17H,9-10H2/t16-,17-/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(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C=C)O
InChI: InChI=1S/C42H35ClN2O6/c1-3-24-13-16-28(17-14-24)44-38(47)31-19-18-30-32(36(31)40(44)49)23-33-39(48)45(29-12-8-11-27(43)22-29)41(50)42(33,26-9-6-5-7-10-26)37(30)25-15-20-34(46)35(21-25)51-4-2/h3,5-18,20-22,31-33,36-37,46H,1,4,19,23H2,2H3/t31-,32+,33-,36-,37-,42+/m0/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C3=NC(=NO3)C4=CC=C(C=C4)C
InChI: InChI=1S/C20H17N3O2/c1-12-3-5-14(6-4-12)19-22-20(25-23-19)15(11-21)10-16-7-8-18(24-16)17-9-13(17)2/h3-8,10,13,17H,9H2,1-2H3/b15-10+/t13-,17-/m1/s1
SMILES: CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C20H27NO5S/c1-2-27(24,25)18-12-6-4-10-16(18)20(23)26-14-19(22)21-13-7-9-15-8-3-5-11-17(15)21/h4,6,10,12,15,17H,2-3,5,7-9,11,13-14H2,1H3/t15-,17+/m1/s1
SMILES: CC(=O)/C=C/C(=O)[C@@H]1CC2=CC(=O)CC[C@@]2(C3=CC[C@]4([C@H]([C@H]13)CC[C@@]45CCC(=O)O5)C)C
InChI: InChI=1S/C27H32O5/c1-16(28)4-5-22(30)19-15-17-14-18(29)6-10-25(17,2)20-7-11-26(3)21(24(19)20)8-12-27(26)13-9-23(31)32-27/h4-5,7,14,19,21,24H,6,8-13,15H2,1-3H3/b5-4+/t19-,21-,24+,25-,26-,27+/m0/s1
SMILES: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H](C4=C[C@H]5CC[C@]43[C@H](C5=C)O)C(=O)OC)OC2=O)O
InChI: InChI=1S/C20H24O6/c1-9-10-4-6-19(15(9)22)11(8-10)13(16(23)25-3)14-18(2)12(21)5-7-20(14,19)26-17(18)24/h8,10,12-15,21-22H,1,4-7H2,2-3H3/t10-,12+,13-,14-,15+,18-,19-,20+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OC)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)(O)O
InChI: InChI=1S/C39H32BClN2O8/c1-51-26-13-14-28(32(44)19-26)34-27-15-16-29-33(37(47)42(35(29)45)24-11-5-9-22(17-24)40(49)50)30(27)20-31-36(46)43(25-12-6-10-23(41)18-25)38(48)39(31,34)21-7-3-2-4-8-21/h2-15,17-19,29-31,33-34,44,49-50H,16,20H2,1H3/t29-,30+,31-,33-,34+,39+/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C16H15FN2O2/c1-10-8-14(10)15-7-6-13(21-15)9-18-19-16(20)11-2-4-12(17)5-3-11/h2-7,9-10,14H,8H2,1H3,(H,19,20)/b18-9-/t10-,14+/m0/s1
SMILES: C[C@@H]1CC[C@]2([C@H]1CC(C[C@@H]([C@@H](C2)C)O)(C)C)C(=O)OC
InChI: InChI=1S/C17H30O3/c1-11-6-7-17(15(19)20-5)8-12(2)14(18)10-16(3,4)9-13(11)17/h11-14,18H,6-10H2,1-5H3/t11-,12-,13+,14+,17+/m1/s1
SMILES: C[C@]12CCC[C@@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCCC5=CC=CC=C5OC)CO3
InChI: InChI=1S/C24H33NO4/c1-23-9-5-10-24(15-28-24)21(23)12-17-18(22(26)29-20(17)13-23)14-25-11-8-16-6-3-4-7-19(16)27-2/h3-4,6-7,17-18,20-21,25H,5,8-15H2,1-2H3/t17-,18+,20-,21+,23-,24+/m1/s1
SMILES: C1[C@H]([C@H]([C@@H](NC1=O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H29NO4/c29-26-16-25(31-18-22-12-6-2-7-13-22)27(32-19-23-14-8-3-9-15-23)24(28-26)20-30-17-21-10-4-1-5-11-21/h1-15,24-25,27H,16-20H2,(H,28,29)/t24-,25+,27-/m0/s1
SMILES: C[C@H](CCCC(=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)O)C
InChI: InChI=1S/C25H42O4/c1-15(5-4-6-22(28)29)18-7-8-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,4-14H2,1-3H3,(H,28,29)/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C)C7=CC(=NN7C)C8=C(C9=C(S8)C=CC(=C9)Cl)C
InChI: InChI=1S/C41H37ClN4O5S/c1-5-16-45-37(48)25-14-13-24-28(33(25)39(45)50)18-29-38(49)46(32-19-30(43-44(32)4)36-20(2)27-17-22(42)11-15-31(27)52-36)40(51)41(29,3)34(24)26-12-10-21-8-6-7-9-23(21)35(26)47/h6-13,15,17,19,25,28-29,33-34,47H,5,14,16,18H2,1-4H3/t25-,28+,29-,33-,34+,41+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)NC(Cl)(Cl)Cl
InChI: InChI=1S/C47H65Cl3N4O8Si3/c1-44(2,3)63(10,11)58-31-36-38(61-43(57)53-47(48,49)50)39(62-64(12,13)45(4,5)6)41(60-36)54-29-28-37(52-42(54)56)51-40(55)35-27-21-20-22-32(35)30-59-65(46(7,8)9,33-23-16-14-17-24-33)34-25-18-15-19-26-34/h14-29,36,38-39,41H,30-31H2,1-13H3,(H,53,57)(H,51,52,55,56)/t36-,38-,39-,41-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C5=CC=CC=C5)C(C)(C)C)CNC6=CC(=O)CC[C@]36C
InChI: InChI=1S/C35H44N2O2/c1-33(2,3)28-12-11-23(22-9-7-6-8-10-22)19-30(28)37-32(39)29-14-13-26-25-21-36-31-20-24(38)15-17-35(31,5)27(25)16-18-34(26,29)4/h6-12,19-20,25-27,29,36H,13-18,21H2,1-5H3,(H,37,39)/t25-,26-,27-,29+,34-,35+/m0/s1
SMILES: CCOCCC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OCC4=CC(=C(C=C4)Cl)NC(=O)C)COC(=O)C5=CC=CC=C5)O)O
InChI: InChI=1S/C33H42ClNO14/c1-3-42-12-11-24-43-15-22-29(48-24)26(38)28(40)33(47-22)49-30-23(16-44-31(41)19-7-5-4-6-8-19)46-32(27(39)25(30)37)45-14-18-9-10-20(34)21(13-18)35-17(2)36/h4-10,13,22-30,32-33,37-40H,3,11-12,14-16H2,1-2H3,(H,35,36)/t22-,23-,24?,25-,26-,27-,28-,29-,30-,32-,33-/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C51H60N2O9/c1-4-29-60-51-47(53(2)50(56)59-31-30-58-35-36-15-7-5-8-16-36)34-45(52-57-3)43-32-39(19-11-13-27-54)42(20-12-14-28-55)48(49(43)51)44-33-41(25-26-46(44)62-51)61-40-23-21-38(22-24-40)37-17-9-6-10-18-37/h4-10,15-18,21-26,32-33,39,42,47-49,54-55H,1,11-14,19-20,27-31,34-35H2,2-3H3/t39-,42+,47-,48+,49+,51+/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CCSC
InChI: InChI=1S/C20H25N3O3S/c1-19(2,3)23-16(24)14-13(9-10-27-4)22-20(15(14)17(23)25)11-7-5-6-8-12(11)21-18(20)26/h5-8,13-15,22H,9-10H2,1-4H3,(H,21,26)/t13-,14+,15-,20+/m0/s1
SMILES: C=CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=CC=C4
InChI: InChI=1S/C20H22N4O4/c1-2-9-22-20(25)28-16-12-27-17-15(11-26-18(16)17)24-19-21-10-8-14(23-19)13-6-4-3-5-7-13/h2-8,10,15-18H,1,9,11-12H2,(H,22,25)(H,21,23,24)/t15-,16+,17+,18+/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=CC=C(C=C6)O)C(=O)C(=CC5=O)C
InChI: InChI=1S/C31H27NO5/c1-3-17-4-8-19(9-5-17)32-30(36)22-13-12-21-23(27(22)31(32)37)15-24-25(34)14-16(2)29(35)28(24)26(21)18-6-10-20(33)11-7-18/h4-12,14,22-23,26-27,33H,3,13,15H2,1-2H3/t22-,23+,26-,27-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@@H]1N2/C(=C\C3=CC=CC=C3)/C(=O)NC2=O)CO)N
InChI: InChI=1S/C15H17N3O4/c16-10-7-13(22-12(10)8-19)18-11(14(20)17-15(18)21)6-9-4-2-1-3-5-9/h1-6,10,12-13,19H,7-8,16H2,(H,17,20,21)/b11-6-/t10-,12+,13-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)CO)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C25H37NO8/c1-15(28)26-18-20(34-23(30)25(5,6)7)19(33-22(29)24(2,3)4)17(13-27)32-21(18)31-14-16-11-9-8-10-12-16/h8-12,17-21,27H,13-14H2,1-7H3,(H,26,28)/t17-,18-,19+,20-,21+/m1/s1
SMILES: C1CN(CCN1C[C@H]2C[C@H]3C[C@H]2C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O4S/c22-21(23)17-3-5-18(6-4-17)26(24,25)20-9-7-19(8-10-20)13-16-12-14-1-2-15(16)11-14/h1-6,14-16H,7-13H2/t14-,15-,16-/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)[C@H]2C[C@H]2C
InChI: InChI=1S/C18H25N3O4/c1-4-21(5-2)14-8-6-13(7-9-14)17(23)20-19-16(22)11-25-18(24)15-10-12(15)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,23)/t12-,15+/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=C5O
InChI: InChI=1S/C24H20N2O4/c1-15-8-7-11-17(14-15)25-23(28)20-21(18-12-5-6-13-19(18)27)26(30-22(20)24(25)29)16-9-3-2-4-10-16/h2-14,20-22,27H,1H3/t20-,21+,22+/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C12H18O8/c1-6(13)18-9-5-17-12(16-4)11(20-8(3)15)10(9)19-7(2)14/h9-12H,5H2,1-4H3/t9-,10+,11-,12-/m1/s1
SMILES: CC1=CC(=C(C=C1C)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)C(=O)C
InChI: InChI=1S/C29H37F2N3O2/c1-18-13-23(20(3)35)27(14-19(18)2)32-9-11-33(12-10-32)28(36)25-17-34(29(4,5)6)16-24(25)22-8-7-21(30)15-26(22)31/h7-8,13-15,24-25H,9-12,16-17H2,1-6H3/t24-,25+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@]4([C@@H]3COC4=O)O)C)(C)C
InChI: InChI=1S/C20H32O3/c1-17(2)8-5-9-18(3)13(17)6-10-19(4)14(18)7-11-20(22)15(19)12-23-16(20)21/h13-15,22H,5-12H2,1-4H3/t13-,14+,15+,18-,19+,20+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H](N2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC(CO5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C33H31N2OP/c1-5-13-26(14-6-1)33(27-15-7-2-8-16-27)24-36-32(34-33)31-25-21-22-28(23-25)35(31)37(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,25,28,31H,21-24H2/t25-,28+,31-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)C(=O)OC)O
InChI: InChI=1S/C24H29NO6/c1-15(26)21-22(24(28)31-4)25(23(21)27)18(13-16-5-9-19(29-2)10-6-16)14-17-7-11-20(30-3)12-8-17/h5-12,15,18,21-22,26H,13-14H2,1-4H3/t15-,21-,22+/m1/s1
SMILES: CCOC(=O)[C@]12[C@H](O[C@](O1)([C@@H]([C@H](C2=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C27H50O9Si2/c1-16-31-22(30)27-18(28)17(34-37(12,13)24(5,6)7)19(35-38(14,15)25(8,9)10)26(11,36-27)32-20(27)21(29)33-23(2,3)4/h17,19-20H,16H2,1-15H3/t17-,19+,20+,26+,27-/m0/s1
SMILES: CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N(C=N2)[C@H]5[C@@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H30N6O10/c1-17(38)33-30-34-27-24(28(35-30)47-31(42)37(21-11-7-5-8-12-21)22-13-9-6-10-14-22)36(16-32-27)29-26(45-20(4)41)25(44-19(3)40)23(46-29)15-43-18(2)39/h5-14,16,23,25-26,29H,15H2,1-4H3,(H,33,34,35,38)/t23-,25-,26-,29-/m1/s1
SMILES: CC(=CCC/C(=C\C[C@@]12CCN([C@@H]1NC3=C2C=CC(=C3O)Br)C)/C)C
InChI: InChI=1S/C21H29BrN2O/c1-14(2)6-5-7-15(3)10-11-21-12-13-24(4)20(21)23-18-16(21)8-9-17(22)19(18)25/h6,8-10,20,23,25H,5,7,11-13H2,1-4H3/b15-10-/t20-,21-/m0/s1
SMILES: CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)OCC(=O)O)OC)CN=[N+]=[N-]
InChI: InChI=1S/C10H17N3O7/c1-17-8-5(3-12-13-11)20-10(18-2)9(7(8)16)19-4-6(14)15/h5,7-10,16H,3-4H2,1-2H3,(H,14,15)/t5-,7+,8-,9-,10+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)C3=CC=C(C=C3)N4CCCCC4=O
InChI: InChI=1S/C21H28N2O2/c24-20-9-3-4-14-22(20)18-12-10-17(11-13-18)21(25)23-15-5-7-16-6-1-2-8-19(16)23/h10-13,16,19H,1-9,14-15H2/t16-,19-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2C[C@@H]2/C(=N\OC(=O)C3=CC=CS3)/C4=CC=CC=C4
InChI: InChI=1S/C22H19NO3S/c1-25-17-11-9-15(10-12-17)18-14-19(18)21(16-6-3-2-4-7-16)23-26-22(24)20-8-5-13-27-20/h2-13,18-19H,14H2,1H3/b23-21-/t18-,19+/m1/s1
SMILES: C[C@H](CCCC(C)C)C1CC=C2[C@@]1(CCC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)CC=C)C)C
InChI: InChI=1S/C32H52O/c1-9-11-23-20-32(8)27-18-19-31(7)25(22(4)13-10-12-21(2)3)15-16-26(31)24(27)14-17-28(32)30(5,6)29(23)33/h9,16,21-23,25,28-29,33H,1,10-15,17-20H2,2-8H3/t22-,23-,25?,28?,29+,31-,32-/m1/s1
SMILES: C[C@@H]1C[C@@H]2CC(=O)C(C[C@@]2(C3C1C4CC[C@]([C@]4(CC3)C)(C(F)(F)F)O)C)C
InChI: InChI=1S/C22H33F3O2/c1-12-9-14-10-17(26)13(2)11-19(14,3)15-5-7-20(4)16(18(12)15)6-8-21(20,27)22(23,24)25/h12-16,18,27H,5-11H2,1-4H3/t12-,13?,14-,15?,16?,18?,19+,20+,21+/m1/s1
SMILES: C[C@@H]1[C@H]2C(=C(C1=O)C[C@@H](C)CNC(=O)C)C[C@@H]3[C@@]2(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C29H43NO3/c1-16(15-30-18(3)31)12-23-22-14-25-21-7-6-19-13-20(32)8-10-28(19,4)24(21)9-11-29(25,5)26(22)17(2)27(23)33/h6,16-17,20-21,24-26,32H,7-15H2,1-5H3,(H,30,31)/t16-,17-,20+,21+,24-,25+,26+,28+,29+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N
InChI: InChI=1S/C20H39N5O12/c21-2-9(27)25-3-7-12(29)14(31)15(32)20(34-7)37-18-6(23)1-5(22)17(16(18)33)36-19-13(30)10(24)11(28)8(4-26)35-19/h5-8,10-20,26,28-33H,1-4,21-24H2,(H,25,27)/t5-,6+,7-,8-,10+,11-,12-,13-,14+,15-,16-,17+,18-,19-,20-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C23H30N2O2/c1-18-6-2-5-9-22(18)24-12-14-25(15-13-24)23(26)17-27-21-11-10-19-7-3-4-8-20(19)16-21/h3-4,7-8,10-11,16,18,22H,2,5-6,9,12-15,17H2,1H3/t18-,22+/m1/s1
SMILES: CC1CO[C@@]2(O1)C[C@@H]3CC[C@]2(C3(C)C)CS(=O)(=O)N(C(C)C)C(C)C
InChI: InChI=1S/C19H35NO4S/c1-13(2)20(14(3)4)25(21,22)12-18-9-8-16(17(18,6)7)10-19(18)23-11-15(5)24-19/h13-16H,8-12H2,1-7H3/t15?,16-,18+,19+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O
InChI: InChI=1S/C20H33N3O13/c1-7(26)21-13-16(31)15(30)9(5-24)34-19(13)23-11(28)3-4-12(29)36-18-10(6-25)35-20(33)14(17(18)32)22-8(2)27/h9-10,13-20,24-25,30-33H,3-6H2,1-2H3,(H,21,26)(H,22,27)(H,23,28)/t9-,10-,13-,14-,15-,16-,17-,18-,19-,20-/m1/s1
SMILES: CC(=NOC(=O)C1=CC=CC=C1)[C@@H]2C[C@@H]2C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H19NO3/c1-13(20-23-19(21)15-6-4-3-5-7-15)17-12-18(17)14-8-10-16(22-2)11-9-14/h3-11,17-18H,12H2,1-2H3/t17-,18+/m0/s1