EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=CC=C1C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C5=C([C@H](C[C@@]25C(=C)C)NC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O)C)OC(=O)C)C
InChI: InChI=1S/C48H52N2O12/c1-25(2)47-23-33(49-44(57)38(54)37(30-17-10-8-11-18-30)50-43(56)31-19-12-9-13-20-31)27(4)36(47)39(60-28(5)51)41(55)46(7)34(53)22-35-48(24-59-35,62-29(6)52)40(46)42(47)61-45(58)32-21-15-14-16-26(32)3/h8-21,33-35,37-40,42,53-54H,1,22-24H2,2-7H3,(H,49,57)(H,50,56)/t33-,34-,35+,37-,38+,39+,40-,42-,46+,47-,48-/m0/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)OC(=O)COC3=CC=CC=C3)OC(=O)COC4=CC=CC=C4
InChI: InChI=1S/C24H26O10/c1-15-28-12-18-21(31-15)22(33-19(25)13-29-16-8-4-2-5-9-16)23(24(27)32-18)34-20(26)14-30-17-10-6-3-7-11-17/h2-11,15,18,21-24,27H,12-14H2,1H3/t15-,18-,21-,22+,23-,24-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC(=O)[O-])N3C(=NN=N3)SCC4=CC=CO4
InChI: InChI=1S/C14H16N4O6S/c19-11(20)6-22-10-5-24-12-9(4-23-13(10)12)18-14(15-16-17-18)25-7-8-2-1-3-21-8/h1-3,9-10,12-13H,4-7H2,(H,19,20)/p-1/t9-,10+,12+,13+/m0/s1
SMILES: C[C@]1(CC(=O)[C@@H]([C@H]([C@H]1C(=O)OC(C)(C)C)C2=CN=CC=C2)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C22H31NO6/c1-20(2,3)28-18(25)16-14(24)11-22(7,27)17(19(26)29-21(4,5)6)15(16)13-9-8-10-23-12-13/h8-10,12,15-17,27H,11H2,1-7H3/t15-,16+,17+,22-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@H](O2)C[C@H](C(=O)N(C1)CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H37NO3Si/c1-27(2,3)32(4,5)31-22-16-24-25(30-24)17-23(21-14-10-7-11-15-21)26(29)28(19-22)18-20-12-8-6-9-13-20/h6-15,22-25H,16-19H2,1-5H3/t22-,23+,24-,25-/m1/s1
SMILES: C1=CC(=C(C=C1[C@@H]2[C@H]([C@@H](C3=C(C=C(C=C3O2)O)O)O)O)O)O
InChI: InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14+,15-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)C4=CN=CC=C4)C)[C@H](C)C(=O)N(C)CC=C)O
InChI: InChI=1S/C25H33N3O2S/c1-6-12-28(5)24(30)15(2)18-9-10-25(4)13-19-21(16(3)20(25)22(18)29)27-23(31-19)17-8-7-11-26-14-17/h6-8,11,14-16,18,20,22,29H,1,9-10,12-13H2,2-5H3/t15-,16-,18-,20+,22-,25-/m0/s1
SMILES: C[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C25H32O3Si/c1-19-16-17-23(26)28-24(19)20(2)18-27-29(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19-20,24H,18H2,1-5H3/t19-,20+,24+/m1/s1
SMILES: C1=CC=C2C(=C1)[C@]3([C@H]4[C@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)C5=CC(=C(C=C5)F)Cl)C(=O)N2
InChI: InChI=1S/C22H18ClFN4O4/c23-12-9-10(5-6-13(12)24)28-19(30)17-15(7-8-16(25)29)27-22(18(17)20(28)31)11-3-1-2-4-14(11)26-21(22)32/h1-6,9,15,17-18,27H,7-8H2,(H2,25,29)(H,26,32)/t15-,17-,18-,22-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@]12CC[C@H]3[C@]1([C@@H](C=C2)OC(=O)OC)C(=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H32O6SSi/c1-5-32(6-2,7-3)30-23-15-13-18-17-21(31(26,27)19-11-9-8-10-12-19)24(18,23)20(14-16-23)29-22(25)28-4/h8-12,14,16-18,20H,5-7,13,15H2,1-4H3/t18-,20-,23+,24+/m1/s1
SMILES: CC(C)(C)C(=O)C(=O)[C@]12[C@@]3(OC(=O)[C@]1(O[C@@](O3)(O2)C(C)(C)C)C(=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C30H32O10/c1-25(2,3)22(32)23(33)28-27(21(31)17-9-13-19(35-7)14-10-17)24(34)37-29(28,18-11-15-20(36-8)16-12-18)40-30(38-27,39-28)26(4,5)6/h9-16H,1-8H3/t27-,28-,29-,30-/m1/s1
SMILES: CCC[C@@H]1C[C@@H]2[C@H]([C@H](C[C@H]1N2C)CC3=CC=CC=C3)CC(=O)OC
InChI: InChI=1S/C21H31NO2/c1-4-8-16-12-20-18(14-21(23)24-3)17(13-19(16)22(20)2)11-15-9-6-5-7-10-15/h5-7,9-10,16-20H,4,8,11-14H2,1-3H3/t16-,17+,18+,19-,20-/m1/s1
SMILES: C[C@H](C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)OC)[Se][C@H]2[C@H]3CC[C@@](C2=O)(C3(C)C)C)O
InChI: InChI=1S/C23H32O4Se/c1-14(24)13-16(15-9-7-6-8-10-15)18(21(26)27-5)28-19-17-11-12-23(4,20(19)25)22(17,2)3/h6-10,14,16-19,24H,11-13H2,1-5H3/t14-,16+,17-,18+,19+,23+/m1/s1
SMILES: CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@@]([C@@H]4[C@H]2[C@@H]5C[C@H](C4)C(=C)C(=O)O5)(O[C@@H]3OC)O)O)O)C
InChI: InChI=1S/C21H30O7/c1-9-10-7-11-14(12(8-10)27-17(9)24)20-13(22)5-6-19(2,3)15(20)16(23)21(11,25)28-18(20)26-4/h10-16,18,22-23,25H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14-,15+,16-,18-,20+,21+/m0/s1
SMILES: CC1([C@@H]([C@H](N[C@@H]([C@@H]1[N+](=O)[O-])C2=C(C=CC(=C2)Br)O)C3=C(C=CC(=C3)Br)O)[N+](=O)[O-])C
InChI: InChI=1S/C19H19Br2N3O6/c1-19(2)17(23(27)28)15(11-7-9(20)3-5-13(11)25)22-16(18(19)24(29)30)12-8-10(21)4-6-14(12)26/h3-8,15-18,22,25-26H,1-2H3/t15-,16-,17-,18+/m1/s1
SMILES: C[C@@]1([C@](O[C@H]([C@@H](O1)CO[Si](C)(C)C(C)(C)C)[C@@H](CC=C)O)(C)OC)OC
InChI: InChI=1S/C19H38O6Si/c1-11-12-14(20)16-15(13-23-26(9,10)17(2,3)4)24-18(5,21-7)19(6,22-8)25-16/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,16+,18-,19-/m1/s1
SMILES: CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@@]23CO[C@@H]2[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C35H37N3O8/c1-22(2)32(40)36-29-18-19-38(33(41)37-29)34-21-44-31(34)30(39)28(46-34)20-45-35(23-8-6-5-7-9-23,24-10-14-26(42-3)15-11-24)25-12-16-27(43-4)17-13-25/h5-19,22,28,30-31,39H,20-21H2,1-4H3,(H,36,37,40,41)/t28-,30-,31-,34-/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4F
InChI: InChI=1S/C18H14FNO3/c1-10-8-13(10)16-7-6-11(22-16)9-15-18(21)23-17(20-15)12-4-2-3-5-14(12)19/h2-7,9-10,13H,8H2,1H3/b15-9-/t10-,13+/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)NC4=CC=C(C=C4)OC5=CC=CC=C5)CN(CC=C)C6CCCC6
InChI: InChI=1S/C40H45N3O5/c1-3-24-43(34-12-7-8-13-34)26-37-28(2)38(30-18-16-29(27-44)17-19-30)48-39(47-37)31-10-9-11-33(25-31)42-40(45)41-32-20-22-36(23-21-32)46-35-14-5-4-6-15-35/h3-6,9-11,14-23,25,28,34,37-39,44H,1,7-8,12-13,24,26-27H2,2H3,(H2,41,42,45)/t28-,37+,38+,39+/m0/s1
SMILES: C[C@H](C[C@H](C=C(C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CCC5[C@]3(C4)CC[C@@H](C5(C)C)OS(=O)(=O)O)C)C
InChI: InChI=1S/C30H50O5S/c1-19(2)16-21(31)17-20(3)22-10-12-28(7)24-9-8-23-26(4,5)25(35-36(32,33)34)11-13-29(23)18-30(24,29)15-14-27(22,28)6/h16,20-25,31H,8-15,17-18H2,1-7H3,(H,32,33,34)/t20-,21+,22-,23?,24+,25+,27-,28+,29-,30+/m1/s1
SMILES: C1C[C@@H]2[C@H](NC3=C([C@@H]2OC1)C=CC=C3O)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C18H18N2O4/c21-15-9-3-6-13-17(15)19-16(12-7-4-10-24-18(12)13)11-5-1-2-8-14(11)20(22)23/h1-3,5-6,8-9,12,16,18-19,21H,4,7,10H2/t12-,16-,18-/m1/s1
SMILES: C[C@]1(CC[C@H]([C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@](O3)(C)C4CO4)C)C)O)CO
InChI: InChI=1S/C20H34O4/c1-17(12-21)8-7-15(22)20(4)13(17)5-9-18(2)14(20)6-10-19(3,24-18)16-11-23-16/h13-16,21-22H,5-12H2,1-4H3/t13-,14-,15+,16?,17-,18+,19+,20-/m0/s1
SMILES: CC(=O)CCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC)OC(=O)CCC(=O)C
InChI: InChI=1S/C21H27N5O8/c1-11(27)4-6-14(29)32-8-13-17(34-15(30)7-5-12(2)28)18(31-3)21(33-13)26-10-25-16-19(22)23-9-24-20(16)26/h9-10,13,17-18,21H,4-8H2,1-3H3,(H2,22,23,24)/t13-,17-,18-,21-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H](OC3=CC=CC(=C3C4=C(C=CC=C4O2)O)O)COCC5=CC=CC=C5
InChI: InChI=1S/C30H28O6/c31-23-13-7-15-25-29(23)30-24(32)14-8-16-26(30)36-28(20-34-18-22-11-5-2-6-12-22)27(35-25)19-33-17-21-9-3-1-4-10-21/h1-16,27-28,31-32H,17-20H2/t27-,28-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)CC3=NC4=C(C(=CS4)C5=CC=CC=C5Cl)C(=O)N3
InChI: InChI=1S/C22H24ClN3OS/c23-18-8-4-3-7-16(18)17-13-28-22-20(17)21(27)24-19(25-22)12-26-10-9-14-5-1-2-6-15(14)11-26/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,24,25,27)/t14-,15-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4I
InChI: InChI=1S/C15H12INO2/c16-10-3-1-2-4-11(10)17-14(18)12-8-5-6-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2/t8-,9+,12+,13-
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O
InChI: InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3/t20-,21+,23-,24-,27-,28+,29+,30-/m0/s1
SMILES: CC1=C(C(=O)C[C@]2([C@@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
InChI: InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1
SMILES: CC(=O)O[C@@H]1C=C[C@H]2C[C@@H]1[C@H]3[C@@H]2OC(O3)(C)C
InChI: InChI=1S/C13H18O4/c1-7(14)15-10-5-4-8-6-9(10)12-11(8)16-13(2,3)17-12/h4-5,8-12H,6H2,1-3H3/t8-,9-,10+,11+,12-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(C(=O)O)O)C
InChI: InChI=1S/C20H28O4/c1-18-8-5-13(21)11-12(18)3-4-14-15(18)6-9-19(2)16(14)7-10-20(19,24)17(22)23/h11,14-16,24H,3-10H2,1-2H3,(H,22,23)/t14-,15+,16+,18+,19+,20?/m1/s1
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(C=C6)F)O)C)O
InChI: InChI=1S/C29H33FN2O2/c1-4-12-29(34)13-11-23-22-10-5-19-14-24-18(17-31-32(24)21-8-6-20(30)7-9-21)15-27(19,2)26(22)25(33)16-28(23,29)3/h6-9,14,17,22-23,25-26,33-34H,5,10-11,13,15-16H2,1-3H3/t22-,23-,25-,26+,27-,28-,29-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5(SCCS5)C)C)O)F)C)F
InChI: InChI=1S/C27H33F3O5S3/c1-14-9-16-17-11-19(29)18-10-15(31)5-6-23(18,2)26(17,30)20(32)12-24(16,3)27(14,22(34)36-13-28)35-21(33)25(4)37-7-8-38-25/h5-6,10,14,16-17,19-20,32H,7-9,11-13H2,1-4H3/t14-,16+,17+,19+,20+,23+,24+,26+,27+/m1/s1
SMILES: C1[C@@H]([C@@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)NC(=O)C5=CC6=C(C=C5)C(=CN6)Cl)NC(=O)C7=CC=C(C=C7)N8C=CC=CC8=O
InChI: InChI=1S/C40H32ClN5O5/c41-33-20-42-34-19-25(14-17-31(33)34)39(49)44-36-22-45(40(50)51-23-32-29-9-3-1-7-27(29)28-8-2-4-10-30(28)32)21-35(36)43-38(48)24-12-15-26(16-13-24)46-18-6-5-11-37(46)47/h1-20,32,35-36,42H,21-23H2,(H,43,48)(H,44,49)/t35-,36+/m0/s1
SMILES: CCOC1=CC=C(C=C1)CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C
InChI: InChI=1S/C24H34N2O5S2/c1-5-31-21-12-10-20(11-13-21)18-26(24-9-7-6-8-19(24)2)33(29,30)23-16-14-22(15-17-23)32(27,28)25(3)4/h10-17,19,24H,5-9,18H2,1-4H3/t19-,24-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)CSCC4=NNN=C4
InChI: InChI=1S/C19H20N6O4S2/c20-13(10-4-2-1-3-5-10)16(26)22-14-17(27)25-15(19(28)29)11(8-31-18(14)25)7-30-9-12-6-21-24-23-12/h1-6,13-14,18H,7-9,20H2,(H,22,26)(H,28,29)(H,21,23,24)/t13-,14-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)OC
InChI: InChI=1S/C20H25NO5/c1-13-5-3-4-6-17(13)21-19(22)12-26-20(23)9-14-11-25-18-10-15(24-2)7-8-16(14)18/h7-8,10-11,13,17H,3-6,9,12H2,1-2H3,(H,21,22)/t13-,17-/m1/s1
SMILES: C1CC[C@]23CCN([C@H]([C@H]2C1)CC4=C3C=C(C=C4)O)CC5CC5.C1=CC=C(C=C1)[C@@H](C(=O)O)O
InChI: InChI=1S/C20H27NO.C8H8O3/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14;9-7(8(10)11)6-4-2-1-3-5-6/h6-7,12,14,17,19,22H,1-5,8-11,13H2;1-5,7,9H,(H,10,11)/t17-,19+,20+;7-/m10/s1
SMILES: CC(C)C(=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/c1-14(2)23(27)21-11-15-13-25(4)16(12-20(15)28-21)5-6-17-18-7-8-22(26)24(18,3)10-9-19(17)25/h11,14,16-19,22,26H,5-10,12-13H2,1-4H3/t16-,17-,18-,19-,22-,24-,25-/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C16H17NO4/c1-21-12-4-2-3-11(8-12)17-15(18)13-9-5-6-10(7-9)14(13)16(19)20/h2-6,8-10,13-14H,7H2,1H3,(H,17,18)(H,19,20)/p-1/t9-,10+,13-,14-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)C3=C(C=CS3)[C@]4(O2)CN5CCC4CC5
InChI: InChI=1S/C17H23NOS/c1-2-4-15-13(3-1)16-14(7-10-20-16)17(19-15)11-18-8-5-12(17)6-9-18/h7,10,12-13,15H,1-6,8-9,11H2/t13-,15+,17-/m0/s1
SMILES: C1=CC(=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)F)C(F)(F)F
InChI: InChI=1S/C18H10F4N2O3/c19-11-6-4-9(5-7-11)14-13-15(27-23-14)17(26)24(16(13)25)12-3-1-2-10(8-12)18(20,21)22/h1-8,13,15H/t13-,15+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32
InChI: InChI=1S/C18H25N3O2/c1-12-7-3-4-8-14(12)19-13(2)18(23)21-11-17(22)20-15-9-5-6-10-16(15)21/h5-6,9-10,12-14,19H,3-4,7-8,11H2,1-2H3,(H,20,22)/p+1/t12-,13+,14-/m1/s1
SMILES: C[C@H](COCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\CC3=C[C@H](C[C@@H](C3)O)O)C
InChI: InChI=1S/C25H42O4/c1-17(15-29-16-24(2,3)28)22-9-10-23-19(6-5-11-25(22,23)4)8-7-18-12-20(26)14-21(27)13-18/h8,12,17,20-23,26-28H,5-7,9-11,13-16H2,1-4H3/b19-8+/t17-,20-,21-,22-,23+,25-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C28H38O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-8,20-25H,9-17H2,1-3H3/t20-,21-,22+,23-,24+,25+,27-,28-/m1/s1
SMILES: C1CCC(CC1)NC(=O)NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H27N3O6/c23-15(21-19(27)20-12-6-2-1-3-7-12)11-28-16(24)10-22-17(25)13-8-4-5-9-14(13)18(22)26/h12-14H,1-11H2,(H2,20,21,23,27)/t13-,14-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)F)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCCO
InChI: InChI=1S/C29H34FN3O5/c1-4-37-29-23(11-8-16-34)24(17-25(38-29)27(35)31-18-20-12-14-21(30)15-13-20)26-19(2)32(3)33(28(26)36)22-9-6-5-7-10-22/h5-7,9-10,12-15,17,23-24,29,34H,4,8,11,16,18H2,1-3H3,(H,31,35)/t23-,24+,29-/m1/s1
SMILES: CN(CC1=CC=CC=C1)CC2=CN(N=N2)C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N5CCCC5
InChI: InChI=1S/C24H34N6O/c1-27(14-19-7-3-2-4-8-19)15-21-16-30(26-25-21)17-22-13-20-9-12-29(22)18-23(20)24(31)28-10-5-6-11-28/h2-4,7-8,16,20,22-23H,5-6,9-15,17-18H2,1H3/t20-,22+,23-/m0/s1
SMILES: C1[C@H](C=C2[C@@H](C1=O)[C@@H](N3C(=NC=N3)N2)C4=CN=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H16ClN5O/c21-15-5-3-12(4-6-15)14-8-16-18(17(27)9-14)19(13-2-1-7-22-10-13)26-20(25-16)23-11-24-26/h1-8,10-11,14,18-19H,9H2,(H,23,24,25)/t14-,18-,19-/m0/s1
SMILES: C1C[C@@H]2[C@H](C[C@@H]1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H17Cl2NO2/c21-17-9-7-14(11-18(17)22)23-19(24)15-8-6-13(10-16(15)20(23)25)12-4-2-1-3-5-12/h1-5,7,9,11,13,15-16H,6,8,10H2/t13-,15-,16+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C#N)C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CC(=O)N)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C34H36Cl2N6O3/c1-4-45-28-19-24(34(2,3)21-37)9-14-27(28)32-39-30(22-5-10-25(35)11-6-22)31(23-7-12-26(36)13-8-23)42(32)33(44)41-17-15-40(16-18-41)20-29(38)43/h5-14,19,30-31H,4,15-18,20H2,1-3H3,(H2,38,43)/t30-,31+/m0/s1
SMILES: CC1CN2C(=O)[C@@H]3[C@H]4CC[C@@H]([C@@H]3C2(O1)C5=CC=C(C=C5)C)O4
InChI: InChI=1S/C18H21NO3/c1-10-3-5-12(6-4-10)18-16-14-8-7-13(21-14)15(16)17(20)19(18)9-11(2)22-18/h3-6,11,13-16H,7-9H2,1-2H3/t11?,13-,14+,15-,16+,18?/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=N2)NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3
InChI: InChI=1S/C19H20N4O3S2/c1-12-5-6-13(18(24)21-9-14-4-2-3-7-20-14)8-15(12)22-19-23-16-10-28(25,26)11-17(16)27-19/h2-8,16-17H,9-11H2,1H3,(H,21,24)(H,22,23)/t16-,17-/m0/s1
SMILES: CC(=O)O[C@@]1(C[C@@]1(/C=C\SC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C20H30O3SSi/c1-16(21)22-19(5)15-20(19,23-25(6,7)18(2,3)4)13-14-24-17-11-9-8-10-12-17/h8-14H,15H2,1-7H3/b14-13-/t19-,20-/m1/s1
SMILES: CCC1=NO[C@H]([C@@H]1[C@H]2O[C@H]3C[C@H]4C[C@@H]([C@]3(O2)C)C4(C)C)C
InChI: InChI=1S/C17H27NO3/c1-6-11-14(9(2)21-18-11)15-19-13-8-10-7-12(16(10,3)4)17(13,5)20-15/h9-10,12-15H,6-8H2,1-5H3/t9-,10+,12+,13-,14-,15-,17+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)[C@H](C(=O)O[C@@H]([C@@]3(C([C@@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)N(C(=O)O3)CCCCC4=CC=NC5=CC=CC=C45)C)C)C)C)C)N(C)C
InChI: InChI=1S/C44H65N3O9/c1-25-24-43(8,52-12)39(55-41-27(3)35(46(10)11)23-26(2)53-41)29(5)37(49)30(6)40(50)54-31(7)44(9)38(28(4)36(25)48)47(42(51)56-44)22-16-15-17-32-20-21-45-34-19-14-13-18-33(32)34/h13-14,18-21,25-31,35,38-39,41H,15-17,22-24H2,1-12H3/t25-,26-,27-,28-,29+,30-,31-,35+,38?,39-,41+,43-,44-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]2[C@@H](O1)N3C(=S)NC(=O)N=C3O2)OC(=O)C
InChI: InChI=1S/C12H13N3O7S/c1-4(16)19-3-6-7(20-5(2)17)8-9(21-6)15-11(22-8)13-10(18)14-12(15)23/h6-9H,3H2,1-2H3,(H,14,18,23)/t6-,7-,8+,9-/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)[O-]
InChI: InChI=1S/C15H16F3NO3/c16-15(17,18)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(21)22/h3-5,8,11-12H,1-2,6-7H2,(H,19,20)(H,21,22)/p-1/t11-,12+/m0/s1
SMILES: CCC#CC[C@H](C)C(=O)/C(=C\[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)C3=CC=CC=C3)/Br
InChI: InChI=1S/C24H25BrO5/c1-3-4-6-9-15(2)23(27)19(25)12-17-18-13-22(26)29-20(18)14-21(17)30-24(28)16-10-7-5-8-11-16/h5,7-8,10-12,15,17-18,20-21H,3,9,13-14H2,1-2H3/b19-12+/t15-,17+,18+,20-,21+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]([C@H](OC(O3)C4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)O[C@@H]2O1)C
InChI: InChI=1S/C32H38O6Si/c1-31(2,3)39(23-17-11-7-12-18-23,24-19-13-8-14-20-24)33-21-25-26-27(28-30(35-26)38-32(4,5)37-28)36-29(34-25)22-15-9-6-10-16-22/h6-20,25-30H,21H2,1-5H3/t25-,26-,27+,28-,29?,30-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)O)(C(=O)OC)OC)O
InChI: InChI=1S/C29H41NO9Si/c1-19(31)30-24-22(32)17-29(37-6,27(35)36-5)39-26(24)25(34)23(33)18-38-40(28(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-26,32-34H,17-18H2,1-6H3,(H,30,31)/t22-,23+,24+,25+,26+,29-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H]([C@H](OC1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H16O4/c1-21-17(19)15-14(12-8-4-2-5-9-12)16(22-18(15)20)13-10-6-3-7-11-13/h2-11,14-16H,1H3/t14-,15+,16+/m0/s1
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N/N=C\3/C[C@H]4[C@@H]3CC=C4
InChI: InChI=1S/C19H18N2O4/c1-11-7-19(23)25-17-9-13(5-6-14(11)17)24-10-18(22)21-20-16-8-12-3-2-4-15(12)16/h2-3,5-7,9,12,15H,4,8,10H2,1H3,(H,21,22)/b20-16-/t12-,15-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC[C@H]1[C@@H]([C@H]([C@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)OC
InChI: InChI=1S/C62H71N3O11/c1-62(2,3)76-60(68)64-51(58(66)63-52(59(67)70-4)38-45-24-11-5-12-25-45)36-23-37-53-55(72-40-47-28-15-7-16-29-47)57(74-42-49-32-19-9-20-33-49)56(73-41-48-30-17-8-18-31-48)54(44-71-39-46-26-13-6-14-27-46)65(53)61(69)75-43-50-34-21-10-22-35-50/h5-22,24-35,51-57H,23,36-44H2,1-4H3,(H,63,66)(H,64,68)/t51-,52-,53-,54-,55-,56-,57+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCNC(=O)C(F)(F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=[N+]=[N-]
InChI: InChI=1S/C39H45F3N6O10P2/c1-29-23-48(38(51)47(36(29)49)21-13-5-12-20-44-37(50)39(40,41)42)35-22-33(45-46-43)34(58-35)27-57-60(53,56-26-32-18-10-4-11-19-32)28-59(52,54-24-30-14-6-2-7-15-30)55-25-31-16-8-3-9-17-31/h2-4,6-11,14-19,23,33-35H,5,12-13,20-22,24-28H2,1H3,(H,44,50)/t33-,34+,35+,60?/m0/s1
SMILES: CCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=C(C=C8)C9=CC=CC=C9)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C55H64N2O11/c1-3-29-65-55-50(57(54(60)61-4-2)35-37-19-25-48-49(31-37)64-36-63-48)34-46(56-68-51-18-10-13-30-62-51)44-32-40(16-8-11-27-58)43(17-9-12-28-59)52(53(44)55)45-33-42(24-26-47(45)67-55)66-41-22-20-39(21-23-41)38-14-6-5-7-15-38/h3,5-7,14-15,19-26,31-33,40,43,50-53,58-59H,1,4,8-13,16-18,27-30,34-36H2,2H3/t40-,43+,50-,51?,52+,53+,55+/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)OCC=C)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CCOCCOCCO
InChI: InChI=1S/C28H38N2O8/c1-5-14-37-27(33)24-19-23(22(28(38-24)36-6-2)12-15-34-17-18-35-16-13-31)25-20(3)29(4)30(26(25)32)21-10-8-7-9-11-21/h5,7-11,19,22-23,28,31H,1,6,12-18H2,2-4H3/t22-,23+,28-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CCCC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI: InChI=1S/C20H27F3N2O2/c1-13-6-3-9-17(14(13)2)25-19(27)11-5-10-18(26)24-16-8-4-7-15(12-16)20(21,22)23/h4,7-8,12-14,17H,3,5-6,9-11H2,1-2H3,(H,24,26)(H,25,27)/t13-,14+,17-/m0/s1
SMILES: C1[C@H]([C@@H]1C(=O)[O-])C(=O)NC2=NC3=C(S2)C=CC=C3Cl
InChI: InChI=1S/C12H9ClN2O3S/c13-7-2-1-3-8-9(7)14-12(19-8)15-10(16)5-4-6(5)11(17)18/h1-3,5-6H,4H2,(H,17,18)(H,14,15,16)/p-1/t5-,6-/m1/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CCC5(CC4)OCCO5
InChI: InChI=1S/C32H43N3O8/c1-3-39-28(37)19-34-31(38)33-18-23-4-10-26(11-5-23)30-42-27(20-35-14-12-32(13-15-35)40-16-17-41-32)22(2)29(43-30)25-8-6-24(21-36)7-9-25/h4-11,22,27,29-30,36H,3,12-21H2,1-2H3,(H2,33,34,38)/t22-,27+,29+,30+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C29H32O7/c1-30-23-15-13-22(14-16-23)28-34-19-24-25(36-28)26(32-17-20-9-5-3-6-10-20)27(29(31-2)35-24)33-18-21-11-7-4-8-12-21/h3-16,24-29H,17-19H2,1-2H3/t24-,25-,26+,27-,28-,29+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2[C@@H]3[C@H]([C@H](O2)[C@H]4COC(O4)(C)C)OC(O3)(C)C)C(C)C
InChI: InChI=1S/C22H38O6/c1-12(2)14-9-8-13(3)10-15(14)24-20-19-18(27-22(6,7)28-19)17(25-20)16-11-23-21(4,5)26-16/h12-20H,8-11H2,1-7H3/t13-,14+,15-,16-,17-,18+,19+,20+/m1/s1
SMILES: CCCCCCN1C(=O)C2=C(C3=CC4=NC(=CC5=C(C(=C([N-]5)C=C6[C@H]([C@@H](C(=N6)C(=C2[N-]3)C1=O)CCC(=O)OCCC)C)C)C(=O)C)[C@@H]([C@H]4CC)C)C.[Zn+2]
InChI: InChI=1S/C42H53N5O5.Zn/c1-9-12-13-14-17-47-41(50)37-25(7)32-20-33-27(11-3)22(4)29(43-33)21-34-36(26(8)48)24(6)31(44-34)19-30-23(5)28(15-16-35(49)52-18-10-2)39(45-30)38(42(47)51)40(37)46-32;/h19-23,27-28H,9-18H2,1-8H3,(H2,43,44,45,46,48,50,51);/q;+2/p-2/t22-,23+,27-,28+;/m1./s1
SMILES: CC1(OC[C@H](O1)CCCCCCCCCC[C@@H]2[C@H](OC(O2)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCCOC)C
InChI: InChI=1S/C32H64O8Si/c1-30(2,3)41(9,10)37-24-28(35-25-34-22-21-33-8)29-27(39-32(6,7)40-29)20-18-16-14-12-11-13-15-17-19-26-23-36-31(4,5)38-26/h26-29H,11-25H2,1-10H3/t26-,27-,28-,29+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)NC(=N2)NC(=O)N(C3=CC=C(C=C3)Cl)C(=O)NC(=O)NC4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H22Cl2N6O3/c23-13-5-9-15(10-6-13)25-20(31)29-22(33)30(16-11-7-14(24)8-12-16)21(32)28-19-26-17-3-1-2-4-18(17)27-19/h5-12,17-18H,1-4H2,(H2,25,29,31,33)(H2,26,27,28,32)/t17-,18-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C20H24O8/c1-4-25-18(22)16-12(21)9-20(3,24)17(19(23)26-5-2)15(16)11-6-7-13-14(8-11)28-10-27-13/h6-8,15-17,24H,4-5,9-10H2,1-3H3/t15-,16+,17-,20+/m1/s1
SMILES: C/C=C(/C)\[C@H]1COC(=O)[C@@]1(C)CCC(=O)CC(=O)OC(C)(C)C
InChI: InChI=1S/C18H28O5/c1-7-12(2)14-11-22-16(21)18(14,6)9-8-13(19)10-15(20)23-17(3,4)5/h7,14H,8-11H2,1-6H3/b12-7-/t14-,18+/m1/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)[C@@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C22H24N2O7/c1-5-31-22(27)17-12(3)23-15-10-11(2)16(21(26)30-4)20(25)19(15)18(17)13-6-8-14(9-7-13)24(28)29/h6-9,11,16,18,23H,5,10H2,1-4H3/t11-,16+,18+/m0/s1
SMILES: C1[C@@H]2[C@@H](C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O1
InChI: InChI=1S/C18H14O2/c19-18-17-14(9-20-18)15-10-5-1-3-7-12(10)16(17)13-8-4-2-6-11(13)15/h1-8,14-17H,9H2/t14-,15?,16?,17-/m0/s1
SMILES: CSCC[C@H]1[C@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3C(F)(F)F)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C23H20F3N3O3S/c1-33-11-10-15-17-18(22(28-15)12-6-2-4-8-14(12)27-21(22)32)20(31)29(19(17)30)16-9-5-3-7-13(16)23(24,25)26/h2-9,15,17-18,28H,10-11H2,1H3,(H,27,32)/t15-,17-,18-,22-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC7=CC=CC=C7C=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C57H80N2O8/c1-4-7-8-9-10-11-12-13-14-27-53(62)59(33-5-2)52-41-50(58-67-54-28-19-22-37-63-54)48-39-44(25-17-20-34-60)47(26-18-21-35-61)55-49-40-46(65-45-30-29-42-23-15-16-24-43(42)38-45)31-32-51(49)66-57(52,56(48)55)64-36-6-3/h6,15-16,23-24,29-32,38-40,44,47,52,54-56,60-61H,3-5,7-14,17-22,25-28,33-37,41H2,1-2H3/t44-,47+,52-,54?,55+,56+,57+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Br)OC(=O)C
InChI: InChI=1S/C20H28BrNO12/c1-9(23)22-16-14(31-11(3)25)7-20(21,19(28)29-6)34-18(16)17(33-13(5)27)15(32-12(4)26)8-30-10(2)24/h14-18H,7-8H2,1-6H3,(H,22,23)/t14-,15+,16+,17+,18+,20-/m0/s1
SMILES: C[C@@H]1[C@@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)CNC(=O)C2=C(C(=CC=C2)O)O)C)NC(=O)CNC(=O)C3=C(C(=CC=C3)O)O)C)NC(=O)CNC(=O)C4=C(C(=CC=C4)O)O
InChI: InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1
SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N
InChI: InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1