EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC(C(C1)NC(=O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)C[C@@H]5CCOC5)O)O)C(=O)O
InChI: InChI=1S/C22H29N5O8/c28-17-15(8-34-22(32)26-13-3-1-2-12(13)21(30)31)35-20(18(17)29)27-10-25-16-14(23-9-24-19(16)27)6-11-4-5-33-7-11/h9-13,15,17-18,20,28-29H,1-8H2,(H,26,32)(H,30,31)/t11-,12?,13?,15+,17+,18+,20?/m0/s1
SMILES: CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC2=CC=CC=C2C(=O)[O-]
InChI: InChI=1S/C19H23NO5/c1-3-12(2)25-19(24)14-9-5-4-8-13(14)17(21)20-16-11-7-6-10-15(16)18(22)23/h4-7,10-14H,3,8-9H2,1-2H3,(H,20,21)(H,22,23)/p-1/t12-,13-,14-/m0/s1
SMILES: CC1=CCC(OC1=O)[C@@H](C)C2CC[C@@]3([C@@]2([C@H](CC4=C3CCC5C(=C4)C=CC(=O)OC5(C)C)OC(=O)C)C)C
InChI: InChI=1S/C32H42O6/c1-18-8-12-26(37-29(18)35)19(2)23-14-15-31(6)25-11-10-24-21(9-13-28(34)38-30(24,4)5)16-22(25)17-27(32(23,31)7)36-20(3)33/h8-9,13,16,19,23-24,26-27H,10-12,14-15,17H2,1-7H3/t19-,23?,24?,26?,27-,31-,32-/m0/s1
SMILES: CCCC1=CC=C(C=C1)O[C@H]2[C@@H](OC3=C(C2=O)C=CC(=C3C)OCC4=CN(N=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C30H30N2O4/c1-4-8-22-11-13-25(14-12-22)36-30-21(3)35-29-20(2)27(16-15-26(29)28(30)33)34-19-23-17-31-32(18-23)24-9-6-5-7-10-24/h5-7,9-18,21,30H,4,8,19H2,1-3H3/t21-,30-/m0/s1
SMILES: CCOP(=S)(OCC)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C38H45O7PS2/c1-3-42-46(47,43-4-2)45-37-36(41-27-32-21-13-7-14-22-32)35(40-26-31-19-11-6-12-20-31)34(28-39-25-30-17-9-5-10-18-30)44-38(37)48-29-33-23-15-8-16-24-33/h5-24,34-38H,3-4,25-29H2,1-2H3/t34-,35-,36+,37-,38+/m1/s1
SMILES: CC1(CC2=C([C@H]([C@@](C(=N2)SCC(=O)O)(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI: InChI=1S/C23H24N2O3S/c1-4-10-23(14-24)20(15-8-6-5-7-9-15)19-16(11-22(2,3)12-17(19)26)25-21(23)29-13-18(27)28/h4-9,20H,1,10-13H2,2-3H3,(H,27,28)/t20-,23-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)C[NH+](C)CC3=C(C=CC(=C3)Cl)OC
InChI: InChI=1S/C20H26ClN3O4/c1-13-6-4-5-7-16(13)24-19(26)18(25)23(20(24)27)12-22(2)11-14-10-15(21)8-9-17(14)28-3/h8-10,13,16H,4-7,11-12H2,1-3H3/p+1/t13-,16+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@H](C3CCC2CC3)C(=O)[O-])C
InChI: InChI=1S/C18H23NO3/c1-10-3-8-14(9-11(10)2)19-17(20)15-12-4-6-13(7-5-12)16(15)18(21)22/h3,8-9,12-13,15-16H,4-7H2,1-2H3,(H,19,20)(H,21,22)/p-1/t12?,13?,15-,16-/m0/s1
SMILES: COC(=O)[C@]1(C[C@@H]1[C@@H]([Si](C)(C)C)SC2=CC=CC=C2)P(=O)(OC)OC
InChI: InChI=1S/C17H27O5PSSi/c1-20-16(18)17(23(19,21-2)22-3)12-14(17)15(25(4,5)6)24-13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3/t14-,15-,17-/m1/s1
SMILES: C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)F)O)/C1CC[C@@H]2C(C)(CCCC(C)(C)O)CCCC(C)(C)O
InChI: InChI=1S/C33H55FO3/c1-23-25(21-26(35)22-28(23)34)13-12-24-11-8-20-33(7)27(24)14-15-29(33)32(6,18-9-16-30(2,3)36)19-10-17-31(4,5)37/h12-13,26-29,35-37H,1,8-11,14-22H2,2-7H3/b24-12+,25-13-/t26-,27?,28+,29-,33+/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)OCCO)Cl)CBr)Cl
InChI: InChI=1S/C29H31BrCl2N2O6/c30-15-33-26(38)28(31)14-21-19(10-11-20-22(21)25(37)34(24(20)36)17-4-2-1-3-5-17)23(29(28,32)27(33)39)16-6-8-18(9-7-16)40-13-12-35/h6-10,17,20-23,35H,1-5,11-15H2/t20-,21+,22-,23-,28+,29-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C18H17FN2O5/c19-13-7-3-4-8-14(13)20-15(22)10-26-16(23)9-21-17(24)11-5-1-2-6-12(11)18(21)25/h1-4,7-8,11-12H,5-6,9-10H2,(H,20,22)/t11-,12+
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]3[C@H]2OC(O3)(C)C)C(=O)OC4=CC=CC=C4OC)C
InChI: InChI=1S/C19H24O8/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(20)22-11-9-7-6-8-10(11)21-5/h6-9,12-15,17H,1-5H3/t12-,13+,14-,15-,17-/m0/s1
SMILES: CCCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)C(=O)C
InChI: InChI=1S/C17H20N2O4S2/c1-3-4-16(21)18-17-19(13-7-5-12(6-8-13)11(2)20)14-9-25(22,23)10-15(14)24-17/h5-8,14-15H,3-4,9-10H2,1-2H3/t14-,15+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@H](OCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=COC(=N2)C)/F)/C)C)O
InChI: InChI=1S/C25H36FNO7/c1-14-7-8-20(19(26)11-18-13-33-17(4)27-18)34-22(29)12-21(28)25(5,6)24(31)15(2)23(30)16(3)32-10-9-14/h7,11,13,15-16,20-21,23,28,30H,8-10,12H2,1-6H3/b14-7-,19-11-/t15-,16-,20+,21+,23+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2OCC=C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C59H64O12/c1-3-34-63-58-56(54(66-39-48-30-18-8-19-31-48)52(64-37-46-26-14-6-15-27-46)50(69-58)41-61-35-44-22-10-4-11-23-44)71-59-57(68-43(2)60)55(67-40-49-32-20-9-21-33-49)53(65-38-47-28-16-7-17-29-47)51(70-59)42-62-36-45-24-12-5-13-25-45/h3-33,50-59H,1,34-42H2,2H3/t50-,51-,52-,53-,54+,55+,56+,57-,58-,59+/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C=C[C@@H]([C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H23NO4/c1-33-28(32)20-12-14-21(15-13-20)29-26(30)24-22(18-8-4-2-5-9-18)16-17-23(25(24)27(29)31)19-10-6-3-7-11-19/h2-17,22-25H,1H3/t22-,23-,24+,25+/m1/s1
SMILES: C[C@@H]\1C[C@H]2[C@H](C2(C)C)C/C1=N\NS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C17H24N2O2S/c1-11-5-7-13(8-6-11)22(20,21)19-18-16-10-15-14(9-12(16)2)17(15,3)4/h5-8,12,14-15,19H,9-10H2,1-4H3/b18-16+/t12-,14+,15-/m1/s1
SMILES: CCN1C(=O)[C@@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@@H]2CCCC4)C(=O)N(C1=S)C
InChI: InChI=1S/C19H22N4O4S/c1-3-21-17(25)19(16(24)20(2)18(21)28)11-12-10-13(23(26)27)7-8-14(12)22-9-5-4-6-15(19)22/h7-8,10,15H,3-6,9,11H2,1-2H3/t15-,19-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C20H24N2O7/c1-27-12-7-8-15(16(9-12)28-2)21-17(23)11-29-18(24)10-22-19(25)13-5-3-4-6-14(13)20(22)26/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,21,23)/t13-,14-/m0/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)C
InChI: InChI=1S/C25H40O4/c1-16(4-9-23(27)28)20-7-8-21-19-6-5-17-14-18(29-15-26)10-12-24(17,2)22(19)11-13-25(20,21)3/h15-22H,4-14H2,1-3H3,(H,27,28)/p-1/t16-,17-,18-,19-,20-,21-,22+,24+,25-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=C(C=C3)OC(F)(F)F)C[C@H](COCC4=CC=CC=C4)O)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6C7=CC=CC=C7)C
InChI: InChI=1S/C53H58F3NO6/c1-37-12-11-28-51(2)49(46-26-22-40(30-42(58)23-19-37)31-48(46)50(60)47-18-10-9-17-45(47)41-15-7-4-8-16-41)27-29-52(51,61)36-57(32-38-20-24-44(25-21-38)63-53(54,55)56)33-43(59)35-62-34-39-13-5-3-6-14-39/h3-10,12-18,20-22,24-26,31,42-43,49,58-59,61H,11,19,23,27-30,32-36H2,1-2H3/t42-,43+,49-,51-,52+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)N3CCCC3=O
InChI: InChI=1S/C22H30N2O4/c1-14-7-4-10-19(15(14)2)23-21(26)16(3)28-22(27)17-8-5-9-18(13-17)24-12-6-11-20(24)25/h5,8-9,13-16,19H,4,6-7,10-12H2,1-3H3,(H,23,26)/t14-,15-,16-,19+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=CC=C8)[N+](=O)[O-]
InChI: InChI=1S/C38H27Cl2FN4O7/c39-20-6-4-19(5-7-20)38-30(35(48)44(37(38)50)42-23-11-9-22(41)10-12-23)18-28-26(33(38)29-16-21(40)8-15-31(29)46)13-14-27-32(28)36(49)43(34(27)47)24-2-1-3-25(17-24)45(51)52/h1-13,15-17,27-28,30,32-33,42,46H,14,18H2/t27-,28+,30-,32-,33+,38+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC(CC3=CC=CC=C3)O)CO)O
InChI: InChI=1S/C18H22N2O6/c21-10-15-14(23)8-16(26-15)20-9-12(17(24)19-18(20)25)7-13(22)6-11-4-2-1-3-5-11/h1-5,9,13-16,21-23H,6-8,10H2,(H,19,24,25)/t13?,14-,15+,16+/m0/s1
SMILES: CCOC1=NC(=NC=C1C)O[C@@H]2C[C@H](O[C@@H]2CO)N=[N+]=[N-]
InChI: InChI=1S/C12H17N5O4/c1-3-19-11-7(2)5-14-12(15-11)21-8-4-10(16-17-13)20-9(8)6-18/h5,8-10,18H,3-4,6H2,1-2H3/t8-,9-,10+/m1/s1
SMILES: COC1=C(C=C2CN3CC[C@@]4([C@H]3C[C@H](C=C4)O)C2=C1)O
InChI: InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@]2(C1)O[C@H]([C@H](O2)CO)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C(C)C
InChI: InChI=1S/C22H39NO7/c1-13(2)15-9-8-14(3)11-22(15)28-17(18(12-24)29-22)10-16(19(25)27-7)23-20(26)30-21(4,5)6/h13-18,24H,8-12H2,1-7H3,(H,23,26)/t14-,15+,16+,17+,18-,22+/m1/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC(=CC=C4)C(F)(F)F)O)C)C)O)C(=O)O[C@H]5C[C@H](CC[C@@H]5C(C)C)C
InChI: InChI=1S/C44H60F3NO5/c1-7-22-48(41(51)53-39-23-30(5)14-17-35(39)28(2)3)27-43(52)21-19-38-36-18-15-31(24-34(49)16-13-29(4)10-9-20-42(38,43)6)25-37(36)40(50)32-11-8-12-33(26-32)44(45,46)47/h8,10-12,15,18,25-26,28,30,34-35,38-39,49,52H,7,9,13-14,16-17,19-24,27H2,1-6H3/t30-,34-,35+,38-,39-,42-,43+/m0/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@]3(C2=O)C)C=C4
InChI: InChI=1S/C17H17NO2/c1-10-5-3-4-6-13(10)18-15(19)14-11-7-8-12(9-11)17(14,2)16(18)20/h3-8,11-12,14H,9H2,1-2H3/t11-,12+,14-,17+/m1/s1
SMILES: C1CC1C2(O[C@@H]3C=C(C[C@H]([C@@H]3O2)OC(=O)C4=CC=CC=C4C=COCCO)C(=O)NCCC(=O)NCCO)C5CC5
InChI: InChI=1S/C30H38N2O9/c33-13-12-31-26(35)9-11-32-28(36)20-17-24(27-25(18-20)40-30(41-27,21-5-6-21)22-7-8-22)39-29(37)23-4-2-1-3-19(23)10-15-38-16-14-34/h1-4,10,15,18,21-22,24-25,27,33-34H,5-9,11-14,16-17H2,(H,31,35)(H,32,36)/t24-,25-,27+/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C
InChI: InChI=1S/C16H17N3O2S/c1-9-7-13(9)15(21)19-16-18-14(8-22-16)11-3-5-12(6-4-11)17-10(2)20/h3-6,8-9,13H,7H2,1-2H3,(H,17,20)(H,18,19,21)/t9-,13+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]1OC[C@H](COCCCCCCCCCC(C)CCCCCC)O)O)O)O
InChI: InChI=1S/C41H80O8/c1-4-6-8-10-11-12-13-14-15-16-19-22-26-30-36(43)49-41-39(46)37(44)38(45)40(41)48-33-35(42)32-47-31-27-23-20-17-18-21-25-29-34(3)28-24-9-7-5-2/h34-35,37-42,44-46H,4-33H2,1-3H3/t34?,35-,37-,38-,39+,40+,41-/m0/s1
SMILES: C[C@H]1[C@]2(CCC3CC(OC3O2)OC)[C@]4(CCCC(C4CC15OCCO5)(C)C)C
InChI: InChI=1S/C23H38O5/c1-15-22(10-7-16-13-18(24-5)27-19(16)28-22)21(4)9-6-8-20(2,3)17(21)14-23(15)25-11-12-26-23/h15-19H,6-14H2,1-5H3/t15-,16?,17?,18?,19?,21-,22+/m0/s1
SMILES: CCC(=O)OC[C@@]1([C@@H](CC[C@]2(C1CCC3([C@H]2C/C=C\4/[C@@H](COC4=O)OC(=O)CNC(=O)OC(C)(C)C)CO3)C)OC(=O)CC)C
InChI: InChI=1S/C33H49NO11/c1-8-25(35)41-18-32(7)22-12-15-33(19-42-33)23(31(22,6)14-13-24(32)44-26(36)9-2)11-10-20-21(17-40-28(20)38)43-27(37)16-34-29(39)45-30(3,4)5/h10,21-24H,8-9,11-19H2,1-7H3,(H,34,39)/b20-10-/t21-,22?,23+,24-,31+,32+,33?/m1/s1
SMILES: [2H]C1=C(C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)OC(=S)N3C=CN=C3)C(=O)OC
InChI: InChI=1S/C15H18N2O5S/c1-15(2)21-11-7-9(13(18)19-3)6-10(12(11)22-15)20-14(23)17-5-4-16-8-17/h4-5,7-8,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1/i7D
SMILES: C1[C@H](O[C@H]([C@@H]1OP(=O)(O)O)N2C=NC3=C(N=CN=C32)N)CCl
InChI: InChI=1S/C10H13ClN5O5P/c11-2-5-1-6(21-22(17,18)19)10(20-5)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10H,1-2H2,(H2,12,13,14)(H2,17,18,19)/t5-,6+,10+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C46H44O12/c1-50-45-40(52-28-32-19-9-3-10-20-32)38(51-27-31-17-7-2-8-18-31)36(55-45)30-54-46-41(58-44(49)35-25-15-6-16-26-35)39(57-43(48)34-23-13-5-14-24-34)37(56-46)29-53-42(47)33-21-11-4-12-22-33/h2-26,36-41,45-46H,27-30H2,1H3/t36-,37-,38-,39-,40+,41+,45+,46+/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=C(N=C32)N)N)F)CO)O)F
InChI: InChI=1S/C12H15F2N5O3/c1-12(14)7(21)5(3-20)22-10(12)19-2-4(13)6-8(15)17-11(16)18-9(6)19/h2,5,7,10,20-21H,3H2,1H3,(H4,15,16,17,18)/t5-,7-,10-,12-/m1/s1
SMILES: CCN(CC)CCCOC1=CC=C(C=C1)C(=O)[C@@H]2C[C@H]2C3=CC=C(C=C3)Br
InChI: InChI=1S/C23H28BrNO2/c1-3-25(4-2)14-5-15-27-20-12-8-18(9-13-20)23(26)22-16-21(22)17-6-10-19(24)11-7-17/h6-13,21-22H,3-5,14-16H2,1-2H3/t21-,22+/m0/s1
SMILES: COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C23H24O12/c1-31-12-4-3-9(5-11(12)25)10-8-33-13-6-14(22(32-2)19(28)16(13)17(10)26)34-23-21(30)20(29)18(27)15(7-24)35-23/h3-6,8,15,18,20-21,23-25,27-30H,7H2,1-2H3/t15-,18-,20+,21-,23-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H22FN3O2S/c1-11-5-3-4-6-15(11)20-16(23)12(2)25-18-22-21-17(24-18)13-7-9-14(19)10-8-13/h7-12,15H,3-6H2,1-2H3,(H,20,23)/t11-,12-,15+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=O)N(C6=O)CCO)OC
InChI: InChI=1S/C33H40N2O10Si/c1-33(2,3)46(6,7)45-30-24(40-4)10-17(11-25(30)41-5)27-18-12-22-23(44-16-43-22)13-19(18)29(20-15-42-32(39)28(20)27)34-21-14-26(37)35(8-9-36)31(21)38/h10-14,20,27-29,34,36H,8-9,15-16H2,1-7H3/t20-,27+,28-,29+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@@H]3C[C@@H]2C(=C)C3(C)C
InChI: InChI=1S/C17H23NO2S/c1-11-5-7-14(8-6-11)21(19,20)18-16-10-13-9-15(16)12(2)17(13,3)4/h5-8,13,15-16,18H,2,9-10H2,1,3-4H3/t13-,15+,16+/m0/s1
SMILES: CC1([C@@H]2CC(=O)[C@@]3([C@@H]1[C@@H](C(=O)[C@]45[C@H]3CC[C@H](C4)[C@H](C5=O)CO)O)CO2)C
InChI: InChI=1S/C20H26O6/c1-18(2)13-5-12(22)20(8-26-13)11-4-3-9-6-19(11,16(24)10(9)7-21)17(25)14(23)15(18)20/h9-11,13-15,21,23H,3-8H2,1-2H3/t9-,10-,11-,13+,14+,15-,19+,20-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@]2([C@@](O2)(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]34[C@](O3)(C[C@H](CC4(C)C)O)C)/C)/C)C
InChI: InChI=1S/C56H86O5/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-35-50(58)59-49-42-52(8,9)56(54(11,43-49)61-56)39-37-47(5)34-28-32-45(3)30-26-25-29-44(2)31-27-33-46(4)36-38-55-51(6,7)40-48(57)41-53(55,10)60-55/h25-34,36-39,48-49,57H,12-24,35,40-43H2,1-11H3/b26-25+,31-27+,32-28+,38-36+,39-37+,44-29+,45-30+,46-33+,47-34+/t48-,49-,53+,54+,55-,56-/m0/s1
SMILES: C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/COC(=O)C
InChI: InChI=1S/C17H22O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,15-16H,2,4,6-8,10H2,1,3H3/b11-5+,14-9-/t15-,16+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](NC2(C)C)[C@@H]([C@@H](C3=CC=CC=C3OC)OC)[Se]C4=CC=CC=C4
InChI: InChI=1S/C27H37NO3Se/c1-18-15-16-21-23(17-18)31-26(28-27(21,2)3)25(32-19-11-7-6-8-12-19)24(30-5)20-13-9-10-14-22(20)29-4/h6-14,18,21,23-26,28H,15-17H2,1-5H3/t18-,21-,23-,24-,25-,26+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)O)N=[N+]=[N-]
InChI: InChI=1S/C10H12ClN5O5/c11-4-2-16(10(20)13-9(4)19)7-1-5(14-15-12)8(18)6(3-17)21-7/h2,5-8,17-18H,1,3H2,(H,13,19,20)/t5-,6-,7-,8+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@H](CC(=O)O2)[C@H](COC(=O)C3=CC=CC=C3)OC4CCCCO4
InChI: InChI=1S/C26H30O9S/c1-18-10-12-20(13-11-18)36(29,30)33-17-23-21(15-24(27)34-23)22(35-25-9-5-6-14-31-25)16-32-26(28)19-7-3-2-4-8-19/h2-4,7-8,10-13,21-23,25H,5-6,9,14-17H2,1H3/t21-,22+,23+,25?/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=CC=C6OCCO)Cl)C)Cl
InChI: InChI=1S/C31H30Cl2N2O6/c1-3-17-8-10-18(11-9-17)35-26(37)21-13-12-19-22(24(21)27(35)38)16-30(32)28(39)34(2)29(40)31(30,33)25(19)20-6-4-5-7-23(20)41-15-14-36/h4-12,21-22,24-25,36H,3,13-16H2,1-2H3/t21-,22+,24-,25+,30+,31-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)C(=O)OC)C(=O)N(CC2=CC=CC=C2)C(=C)C=O)C
InChI: InChI=1S/C18H21NO6/c1-12(11-20)19(10-13-8-6-5-7-9-13)16(21)14-15(17(22)23-4)25-18(2,3)24-14/h5-9,11,14-15H,1,10H2,2-4H3/t14-,15-/m1/s1
SMILES: CC(C)[C@@H]1C(=O)[C@@H](C[C@]1(C)OCCO)[Si](C)(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C24H32O3Si/c1-18(2)22-23(26)21(17-24(22,3)27-16-15-25)28(4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-22,25H,15-17H2,1-4H3/t21-,22-,24+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@]3([NH2+]1)C4=C(C=CC(=C4)C)NC3=O
InChI: InChI=1S/C18H21N3O4/c1-9-4-5-12-11(8-9)18(17(24)19-12)14-13(10(2)20-18)15(22)21(16(14)23)6-7-25-3/h4-5,8,10,13-14,20H,6-7H2,1-3H3,(H,19,24)/p+1/t10-,13-,14+,18-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1SC2=CC=CC=C2)CO)O)O
InChI: InChI=1S/C14H19NO5S/c1-8(17)15-11-13(19)12(18)10(7-16)20-14(11)21-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12+,13+,14+/m0/s1
SMILES: C[C@@]12C=C[C@@H](O1)[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)I
InChI: InChI=1S/C15H12INO3/c1-15-6-5-10(20-15)11-12(15)14(19)17(13(11)18)9-4-2-3-8(16)7-9/h2-7,10-12H,1H3/t10-,11-,12+,15+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CCC5=CC=CC=C5)O)C)O)F)C
InChI: InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30?,31+/m1/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@]([C@H]3CC2)(C)CNCC4=CNC5=CC=CC=C54)C
InChI: InChI=1S/C29H38N2/c1-20(2)21-10-12-25-22(16-21)11-13-27-28(3,14-7-15-29(25,27)4)19-30-17-23-18-31-26-9-6-5-8-24(23)26/h5-6,8-10,12,16,18,20,27,30-31H,7,11,13-15,17,19H2,1-4H3/t27-,28-,29+/m1/s1
SMILES: C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)COC(=O)C
InChI: InChI=1S/C31H48O6/c1-18(17-36-20(3)32)7-10-27(34)19(2)29-28(35)16-26-24-9-8-22-15-23(37-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h18-19,22-26,29H,7-17H2,1-6H3/t18-,19-,22?,23+,24-,25+,26+,29+,30+,31+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C(=O)OC
InChI: InChI=1S/C19H23N3O5/c1-12-7-5-6-10-19(12)17(25)22(18(26)21-19)11-15(23)20-14-9-4-3-8-13(14)16(24)27-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,20,23)(H,21,26)/t12-,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C=C[C@H](O1)N2C=NC3=C(N=CN=C32)N)O
InChI: InChI=1S/C17H27N5O3Si/c1-17(2,3)26(4,5)24-8-12-11(23)6-7-13(25-12)22-10-21-14-15(18)19-9-20-16(14)22/h6-7,9-13,23H,8H2,1-5H3,(H2,18,19,20)/t11-,12+,13+/m1/s1
SMILES: C1COC2(O1)C[C@H]3[C@H]([C@@H]([C@@H]2O3)SC4=CC=CC=C4)Cl
InChI: InChI=1S/C14H15ClO3S/c15-11-10-8-14(16-6-7-17-14)13(18-10)12(11)19-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11+,12-,13-/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/3\CO[C@H](O[C@]34C[C@@H]([C@H](C[C@H]4C(=O)O)C)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O[C@@H]1C
InChI: InChI=1S/C52H62O10/c1-34(28-35(2)24-25-43-30-44(58-48(55)39-17-9-6-10-18-39)31-51(61-43)27-26-36(3)38(5)60-51)16-15-23-42-33-57-50(41-21-13-8-14-22-41)62-52(42)32-46(37(4)29-45(52)47(53)54)59-49(56)40-19-11-7-12-20-40/h6-24,34,36-38,43-46,50H,25-33H2,1-5H3,(H,53,54)/b16-15+,35-24+,42-23+/t34-,36-,37-,38+,43+,44-,45-,46-,50+,51-,52+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
InChI: InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18+,19+,21-,22+,23-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C19H19F3N2O5/c20-19(21,22)11-4-3-5-12(8-11)23-15(25)10-29-16(26)9-24-17(27)13-6-1-2-7-14(13)18(24)28/h3-5,8,13-14H,1-2,6-7,9-10H2,(H,23,25)/t13-,14-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=CC=C5OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C35H31BrN2O6/c1-35-27(32(41)38(34(35)43)21-7-3-2-4-8-21)19-26-23(30(35)24-9-5-6-10-28(24)44-18-17-39)15-16-25-29(26)33(42)37(31(25)40)22-13-11-20(36)12-14-22/h2-15,25-27,29-30,39H,16-19H2,1H3/t25-,26+,27-,29-,30+,35+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=C(C=C2)Cl)O)O)O
InChI: InChI=1S/C11H13ClO4S/c12-6-1-3-7(4-2-6)17-11-10(15)9(14)8(13)5-16-11/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11+/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C23H27NO3/c1-27-20-13-6-5-11-18(20)21-19-12-7-8-14-23(19,26)15-16-24(21)22(25)17-9-3-2-4-10-17/h2-6,9-11,13,19,21,26H,7-8,12,14-16H2,1H3/t19-,21-,23-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@@]4(CCC[C@H]4[C@H]3CC=C2C1)C)C
InChI: InChI=1S/C21H32O2/c1-14(22)23-16-8-12-21(3)15(13-16)6-7-17-18-5-4-10-20(18,2)11-9-19(17)21/h6,16-19H,4-5,7-13H2,1-3H3/t16-,17+,18-,19+,20-,21-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C15H20O4/c1-10-12(16-9-11-7-5-4-6-8-11)13-14(17-10)19-15(2,3)18-13/h4-8,10,12-14H,9H2,1-3H3/t10-,12+,13-,14-/m1/s1
SMILES: C/C=C/1\CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C27H48OSi/c1-9-19-11-13-23-22-12-10-20-18-21(28-29(7,8)25(2,3)4)14-16-27(20,6)24(22)15-17-26(19,23)5/h9,20-24H,10-18H2,1-8H3/b19-9+/t20-,21-,22+,23+,24+,26-,27+/m0/s1
SMILES: CCOC(=O)[C@@H]1C2=N/C(=C\C3=C(C(=C([N-]3)/C=C\4/C(=C(C(=N4)/C=C\5/C(=C([C@]1([N-]5)CC6=CC=C(C=C6)C)C)C)C)C)C)C)/C(=C2C)C.[Cu+2]
InChI: InChI=1S/C39H42N4O2.Cu/c1-11-45-38(44)36-37-26(8)25(7)34(42-37)17-32-22(4)21(3)30(40-32)16-31-23(5)24(6)33(41-31)18-35-27(9)28(10)39(36,43-35)19-29-14-12-20(2)13-15-29;/h12-18,36H,11,19H2,1-10H3;/q-2;+2/t36-,39+;/m0./s1
SMILES: CCOC(=O)C1([C@H]([C@H]1C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)[C@H]([Si](C)(C)C)[Se]C3=CC=CC=C3)C(=O)OCC
InChI: InChI=1S/C30H46O6SeSi/c1-9-34-28(32)30(29(33)35-10-2)24(26(31)36-23-18-20(5)16-17-22(23)19(3)4)25(30)27(38(6,7)8)37-21-14-12-11-13-15-21/h11-15,19-20,22-25,27H,9-10,16-18H2,1-8H3/t20-,22+,23-,24+,25-,27+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@@H]6CC[C@H]7C[C@@H]6C7(C)C)C[C@@H](CO)O)O)C(=C5)C(=O)C8CCCCC8)O)C
InChI: InChI=1S/C42H65NO5/c1-37(2)29-11-10-28(32(37)20-29)23-43(24-31(46)25-44)26-41(48)17-14-35-39(41,4)16-13-34-38(3)15-12-30(45)21-40(38)18-19-42(34,35)33(22-40)36(47)27-8-6-5-7-9-27/h18-19,22,27-32,34-35,44-46,48H,5-17,20-21,23-26H2,1-4H3/t28-,29-,30?,31-,32-,34+,35+,38+,39-,40-,41+,42+/m0/s1
SMILES: C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10+,11-,12-,13-/m1/s1
SMILES: CC1(CC(=C[C@H]2[C@H]1SC(=N)C2C#N)/C=C/C3=CC=CC=C3Cl)C
InChI: InChI=1S/C19H19ClN2S/c1-19(2)10-12(7-8-13-5-3-4-6-16(13)20)9-14-15(11-21)18(22)23-17(14)19/h3-9,14-15,17,22H,10H2,1-2H3/b8-7+,22-18?/t14-,15?,17-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)Cl)N[C@H]2C5=CC=C(C=C5)F
InChI: InChI=1S/C24H19Cl2FN2O2S/c25-17-5-3-4-15-21-16(23(28-24(15)17)13-8-10-14(27)11-9-13)12-20(22(21)26)32-19-7-2-1-6-18(19)29(30)31/h1-11,16,20-23,28H,12H2/t16-,20+,21+,22-,23+/m1/s1
SMILES: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H](C4[C@@]2(C(=O)[C@H]5[C@@H](O5)C(=O)C1)C(=O)N[C@H]4CC6=CNC7=CC=CC=C76)C)C
InChI: InChI=1S/C29H32N2O5/c1-14-7-6-9-18-26-28(3,36-26)15(2)22-20(12-16-13-30-19-10-5-4-8-17(16)19)31-27(34)29(18,22)25(33)24-23(35-24)21(32)11-14/h4-6,8-10,13-15,18,20,22-24,26,30H,7,11-12H2,1-3H3,(H,31,34)/b9-6+/t14-,15-,18-,20-,22?,23-,24+,26-,28+,29-/m0/s1
SMILES: CC[C@@H]1[C@H]2CCCC(=O)N3[C@H]2[C@H](CC3)[C@@H]4[C@H]1OC(=O)[C@H]4C
InChI: InChI=1S/C17H25NO3/c1-3-10-11-5-4-6-13(19)18-8-7-12(15(11)18)14-9(2)17(20)21-16(10)14/h9-12,14-16H,3-8H2,1-2H3/t9-,10+,11+,12+,14+,15+,16-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]2[C@@](C[C@@H]([C@@H](C2(C)C)OC(=O)C)O)([C@H]3[C@]14C[C@@H](C[C@@H]3O)C(=C)C4=O)C)O
InChI: InChI=1S/C24H34O8/c1-10-13-7-14(27)17-23(6)9-15(28)20(31-11(2)25)22(4,5)18(23)16(29)21(32-12(3)26)24(17,8-13)19(10)30/h13-18,20-21,27-29H,1,7-9H2,2-6H3/t13-,14+,15+,16-,17+,18-,20+,21+,23+,24+/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C25H31FN2O4/c1-4-18-16-28(25(30)19-6-8-21(26)9-7-19)12-11-20(18)14-24(29)27-15-17-5-10-22(31-2)23(13-17)32-3/h5-10,13,18,20H,4,11-12,14-16H2,1-3H3,(H,27,29)/t18-,20-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3
InChI: InChI=1S/C21H33N3O/c1-17-8-6-7-11-20(17)22-21(25)18(2)24-14-12-23(13-15-24)16-19-9-4-3-5-10-19/h3-5,9-10,17-18,20H,6-8,11-16H2,1-2H3,(H,22,25)/p+2/t17-,18-,20-/m1/s1
SMILES: CCCCC1=CN(N=N1)C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCC4=CC=C(C=C4)F
InChI: InChI=1S/C22H30FN5O/c1-2-3-4-19-13-28(26-25-19)14-20-11-17-9-10-27(20)15-21(17)22(29)24-12-16-5-7-18(23)8-6-16/h5-8,13,17,20-21H,2-4,9-12,14-15H2,1H3,(H,24,29)/t17-,20-,21+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C26H16ClNO5/c27-15-10-12-16(13-11-15)28-24(31)19-20(25(28)32)26(33-21(19)14-6-2-1-3-7-14)22(29)17-8-4-5-9-18(17)23(26)30/h1-13,19-21H/t19-,20+,21+/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](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCC7=CC(=C(C=C7C6)OC)OC
InChI: InChI=1S/C46H51N3O8S/c1-30-13-19-39(20-14-30)58(52,53)48-40(23-32-9-6-5-7-10-32)45(51)47-38-12-8-11-36(24-38)46-56-43(31(2)44(57-46)34-17-15-33(29-50)16-18-34)28-49-22-21-35-25-41(54-3)42(55-4)26-37(35)27-49/h5-20,24-26,31,40,43-44,46,48,50H,21-23,27-29H2,1-4H3,(H,47,51)/t31-,40-,43+,44+,46+/m1/s1
SMILES: CC1CN(CC(N1)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@@H]4F)F
InChI: InChI=1S/C20H23F2N3O4/c1-9-6-24(7-10(2)23-9)17-14(22)4-11-16(19(17)29-3)25(15-5-13(15)21)8-12(18(11)26)20(27)28/h4,8-10,13,15,23H,5-7H2,1-3H3,(H,27,28)/t9?,10?,13-,15+/m0/s1