EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C(=O)NC2CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H23N3O4/c1-12(24-20(27)14-6-2-3-7-15(14)21(24)28)18(25)23-17-9-5-4-8-16(17)19(26)22-13-10-11-13/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,22,26)(H,23,25)/t12-,14-,15+/m1/s1
SMILES: COC1([C@]2(C3=C(CCC3)[NH2+][C@H]([C@@]2(C(=[NH+]1)N)C#N)C4=CC=CC=C4)C#N)OC
InChI: InChI=1S/C20H21N5O2/c1-26-20(27-2)19(12-22)14-9-6-10-15(14)24-16(13-7-4-3-5-8-13)18(19,11-21)17(23)25-20/h3-5,7-8,16,24H,6,9-10H2,1-2H3,(H2,23,25)/p+2/t16-,18+,19-/m0/s1
SMILES: C/C=C(/C1=C(C(=O)[C@]23C[C@H]2C(O[C@@]3(C1=O)O)(C)C)Cl)\Br
InChI: InChI=1S/C14H14BrClO4/c1-4-6(15)8-9(16)11(18)13-5-7(13)12(2,3)20-14(13,19)10(8)17/h4,7,19H,5H2,1-3H3/b6-4-/t7-,13-,14+/m0/s1
SMILES: CC1=CC(=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]
InChI: InChI=1S/C19H17FN2O2/c1-11-9-14(22(23)24)10-17-15-3-2-4-16(15)19(21-18(11)17)12-5-7-13(20)8-6-12/h2-3,5-10,15-16,19,21H,4H2,1H3/t15-,16-,19+/m0/s1
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@@H]([C@H](O4)C)C)O.CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
InChI: InChI=1S/C32H45N3O4S.C22H26O5/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);8-12,18,24H,6-7H2,1-5H3/t22-,23+,26-,27-,29+;11-,12-,18+/m01/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OCCCNC(=O)C(F)(F)F)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])[O-])O)NC(=O)C)O)O)O)O.[Na+].[Na+]
InChI: InChI=1S/C25H42F3N2O19P.2Na/c1-8-13(34)15(36)20(23(44-8)43-5-3-4-29-24(39)25(26,27)28)48-22-17(38)16(37)18(10(6-31)46-22)47-21-12(30-9(2)33)14(35)19(11(7-32)45-21)49-50(40,41)42;;/h8,10-23,31-32,34-38H,3-7H2,1-2H3,(H,29,39)(H,30,33)(H2,40,41,42);;/q;2*+1/p-2/t8-,10+,11+,12-,13-,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-;;/m0../s1
SMILES: CC1=CC[C@@H]2[C@@H]3[C@H]1[C@]2(CCC[C@@]3(C)C(=O)OC)C
InChI: InChI=1S/C16H24O2/c1-10-6-7-11-13-12(10)15(11,2)8-5-9-16(13,3)14(17)18-4/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,15+,16-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC=CC=C5
InChI: InChI=1S/C28H21N3O/c1-19-11-13-22(14-12-19)26(32)25-24(21-8-3-2-4-9-21)28(17-29,18-30)27-23-10-6-5-7-20(23)15-16-31(25)27/h2-16,24-25,27H,1H3/t24-,25+,27-/m0/s1
SMILES: CC12CC3C4(CC1C4(C(=O)O2)COC(=O)C5=CC=CC=C5)O[C@@H]6[C@H]([C@@H]([C@H](OC6O3)CO)O)O
InChI: InChI=1S/C23H26O10/c1-21-8-14-23(32-17-16(26)15(25)12(9-24)30-19(17)31-14)7-13(21)22(23,20(28)33-21)10-29-18(27)11-5-3-2-4-6-11/h2-6,12-17,19,24-26H,7-10H2,1H3/t12-,13?,14?,15-,16+,17-,19?,21?,22?,23?/m1/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+/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCC(=O)O)N2CC3=CC=CC=C3Cl
InChI: InChI=1S/C16H17ClN2O5S2/c17-11-4-2-1-3-10(11)7-19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)5-6-15(21)22/h1-4,12-13H,5-9H2,(H,21,22)/t12-,13+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)NCCC3=CC=CC=C3
InChI: InChI=1S/C22H29N3O5/c1-15-8-6-7-12-22(15)20(28)25(21(29)24-22)14-18(26)30-16(2)19(27)23-13-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H,23,27)(H,24,29)/t15-,16-,22-/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)CCCCCNC(=O)C)CN4C=NC5=CC=CC=C54
InChI: InChI=1S/C34H40N4O5/c1-23-31(20-38-22-36-29-8-5-6-9-30(29)38)42-34(43-33(23)26-13-11-25(21-39)12-14-26)27-15-17-28(18-16-27)37-32(41)10-4-3-7-19-35-24(2)40/h5-6,8-9,11-18,22-23,31,33-34,39H,3-4,7,10,19-21H2,1-2H3,(H,35,40)(H,37,41)/t23-,31+,33+,34+/m1/s1
SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4Cl)O)C5=CC=CC=C5.Cl
InChI: InChI=1S/C27H28ClNO3S.ClH/c28-24-22(30)13-14-23-27(24)33-26(20-7-3-1-4-8-20)25(32-23)19-9-11-21(12-10-19)31-18-17-29-15-5-2-6-16-29;/h1,3-4,7-14,25-26,30H,2,5-6,15-18H2;1H/t25-,26+;/m0./s1
SMILES: CC1=C(C=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=COC7=C(C6)C=C(C=C7)O)Cl)C)Cl)Cl
InChI: InChI=1S/C31H25Cl3N2O6/c1-14-3-4-17(11-22(14)32)36-26(38)20-7-6-19-21(24(20)27(36)39)12-30(33)28(40)35(2)29(41)31(30,34)25(19)16-9-15-10-18(37)5-8-23(15)42-13-16/h3-6,8,10-11,13,20-21,24-25,37H,7,9,12H2,1-2H3/t20-,21+,24-,25-,30+,31-/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C/C=C(\CCO1)/C)/C(=C/C2=CC=CC=N2)/F)O)(C)C)CC=C)O
InChI: InChI=1S/C28H38FNO6/c1-6-9-21-26(33)19(3)35-15-13-18(2)11-12-23(22(29)16-20-10-7-8-14-30-20)36-25(32)17-24(31)28(4,5)27(21)34/h6-8,10-11,14,16,19,21,23-24,26,31,33H,1,9,12-13,15,17H2,2-5H3/b18-11-,22-16-/t19-,21-,23+,24+,26-/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)N4C(=O)C5=CC=CC=C5C4=O)CN6CCC[C@H]6C(=O)OC(C)(C)C
InChI: InChI=1S/C36H40N2O7/c1-22-30(20-37-18-8-13-29(37)34(42)45-36(2,3)4)43-35(44-31(22)24-16-14-23(21-39)15-17-24)25-9-7-10-26(19-25)38-32(40)27-11-5-6-12-28(27)33(38)41/h5-7,9-12,14-17,19,22,29-31,35,39H,8,13,18,20-21H2,1-4H3/t22-,29-,30+,31+,35+/m0/s1
SMILES: CCN[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC(=O)[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCC5=CC=CC=C5)C)C
InChI: InChI=1S/C33H50N2O2/c1-5-34-25-17-18-32(3)24(19-25)12-13-26-28-15-14-27(33(28,4)30(36)20-29(26)32)22(2)11-16-31(37)35-21-23-9-7-6-8-10-23/h6-10,22,24-29,34H,5,11-21H2,1-4H3,(H,35,37)/t22-,24-,25+,26+,27-,28+,29+,32+,33-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCCCC3)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C34H45NO3/c1-25-10-9-18-33(2)31(17-19-34(33,38)24-35-20-7-4-8-21-35)29-16-14-26(22-28(36)15-13-25)23-30(29)32(37)27-11-5-3-6-12-27/h3,5-6,10-12,14,16,23,28,31,36,38H,4,7-9,13,15,17-22,24H2,1-2H3/t28-,31-,33-,34+/m0/s1
SMILES: C[C@@H]\1CC(=O)C/C(=C\[C@@H]([C@H]2[C@@H](CC[C@@]2(/C=C1)C)C(C)(C)OC(=O)C)OC(=O)C)/C
InChI: InChI=1S/C24H36O5/c1-15-8-10-24(7)11-9-20(23(5,6)29-18(4)26)22(24)21(28-17(3)25)14-16(2)13-19(27)12-15/h8,10,14-15,20-22H,9,11-13H2,1-7H3/b10-8+,16-14-/t15-,20+,21-,22+,24-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2[C@H]([C@H]4CO[C@@H]3O4)O
InChI: InChI=1S/C11H14O3/c12-10-7-4-13-11(14-7)9-6-2-1-5(3-6)8(9)10/h1-2,5-12H,3-4H2/t5-,6+,7+,8-,9+,10-,11+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2OCC3=CC=CC=C3)OC)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OS(=O)(=O)C6=CC=CC=C6C(F)(F)F)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C55H55F3O13S/c1-37-46(69-52(59)42-28-16-7-17-29-42)48(65-34-40-24-12-5-13-25-40)51(71-72(60,61)45-31-19-18-30-43(45)55(56,57)58)54(67-37)70-49-47(64-33-39-22-10-4-11-23-39)44(36-63-32-38-20-8-3-9-21-38)68-53(62-2)50(49)66-35-41-26-14-6-15-27-41/h3-31,37,44,46-51,53-54H,32-36H2,1-2H3/t37-,44+,46-,47+,48+,49-,50-,51+,53-,54+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)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)CN)O)O)N)N)N)O)O)O
InChI: InChI=1S/C18H36N4O10/c1-4-9(23)12(26)13(27)18(29-4)32-16-6(21)2-5(20)15(14(16)28)31-17-8(22)11(25)10(24)7(3-19)30-17/h4-18,23-28H,2-3,19-22H2,1H3/t4-,5+,6-,7-,8-,9+,10-,11-,12+,13-,14+,15-,16+,17-,18-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=S)N[C@@H]2CCCC[C@H]2C
InChI: InChI=1S/C19H31N3O2S2/c1-4-22(5-2)26(23,24)17-12-10-16(11-13-17)14-20-19(25)21-18-9-7-6-8-15(18)3/h10-13,15,18H,4-9,14H2,1-3H3,(H2,20,21,25)/t15-,18-/m1/s1
SMILES: C[C@@]1(CCCC[C@@H]1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H22O4/c1-21(25-20(23)17-12-6-3-7-13-17)15-9-8-14-18(21)24-19(22)16-10-4-2-5-11-16/h2-7,10-13,18H,8-9,14-15H2,1H3/t18-,21-/m0/s1
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C2=C1NC=C2OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)Cl)Br
InChI: InChI=1S/C17H16BrClN3O9P.C16H36N/c18-7-1-2-8-12(13(7)19)9(5-20-8)31-32(27,28)29-6-10-14(24)15(25)16(30-10)22-4-3-11(23)21-17(22)26;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-5,10,14-16,20,24-25H,6H2,(H,27,28)(H,21,23,26);5-16H2,1-4H3/q;+1/p-1/t10-,14-,15-,16-;/m1./s1
SMILES: CC1=CC=C(S1)C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H17NO5S/c1-10-6-7-14(24-10)13(19)9-23-15(20)8-18-16(21)11-4-2-3-5-12(11)17(18)22/h2-3,6-7,11-12H,4-5,8-9H2,1H3/t11-,12+
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)CNC4=CC=C(C=C4)Br
InChI: InChI=1S/C16H15BrN2O2/c17-11-3-5-12(6-4-11)18-8-19-15(20)13-9-1-2-10(7-9)14(13)16(19)21/h1-6,9-10,13-14,18H,7-8H2/t9-,10+,13-,14-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@]3(C2=O)C)C=C4
InChI: InChI=1S/C19H19NO4/c1-3-24-17(22)11-5-8-14(9-6-11)20-16(21)15-12-4-7-13(10-12)19(15,2)18(20)23/h4-9,12-13,15H,3,10H2,1-2H3/t12-,13+,15+,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl
InChI: InChI=1S/C14H17ClF3NO2S/c1-9-4-2-3-5-12(9)19-22(20,21)13-8-10(14(16,17)18)6-7-11(13)15/h6-9,12,19H,2-5H2,1H3/t9-,12+/m0/s1
SMILES: C[C@H]1C[C@H]([C@@]([C@@H]([C@@H]1OC)OCOCC[Si](C)(C)C)(C2=C(OC=C2)[Si](C)(C)C)O)C(=O)O
InChI: InChI=1S/C22H40O7Si2/c1-15-13-17(20(23)24)22(25,16-9-10-28-21(16)31(6,7)8)19(18(15)26-2)29-14-27-11-12-30(3,4)5/h9-10,15,17-19,25H,11-14H2,1-8H3,(H,23,24)/t15-,17-,18+,19+,22+/m0/s1
SMILES: CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C
InChI: InChI=1S/C16H18N2O5/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)17-11-4-3-5-12(8-11)18(22)23/h3-5,8,13-14H,6-7H2,1-2H3,(H,17,19)(H,20,21)/t13-,14+/m0/s1
SMILES: CCN1C(=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(C=C(C=C5)O)OC)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C35H31ClN2O6/c1-3-37-31(40)25-15-14-23-26(29(25)33(37)42)18-27-32(41)38(21-11-7-10-20(36)16-21)34(43)35(27,19-8-5-4-6-9-19)30(23)24-13-12-22(39)17-28(24)44-2/h4-14,16-17,25-27,29-30,39H,3,15,18H2,1-2H3/t25-,26+,27-,29-,30+,35+/m0/s1
SMILES: CC1=CC=C(S1)[C@@H]2[C@H](C(=C)NC3=C2C(=O)NC(=O)N3)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C21H19N3O4S/c1-11-8-9-14(29-11)16-15(20(26)28-10-13-6-4-3-5-7-13)12(2)22-18-17(16)19(25)24-21(27)23-18/h3-9,15-16H,2,10H2,1H3,(H3,22,23,24,25,27)/t15-,16+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)CO
InChI: InChI=1S/C17H20N2O5/c1-11-15-13(19(16(11)22)14(21)9-20)7-8-18(15)17(23)24-10-12-5-3-2-4-6-12/h2-6,11,13,15,20H,7-10H2,1H3/t11-,13-,15+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@@H]([C@H]([C@@H]([C@@H]2CO)O)O)O
InChI: InChI=1S/C14H21NO4/c1-9(10-5-3-2-4-6-10)15-7-12(17)14(19)13(18)11(15)8-16/h2-6,9,11-14,16-19H,7-8H2,1H3/t9-,11-,12-,13+,14+/m0/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC4=CC=CC=C43)C(=O)[C@H]([C@@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C26H27NO5/c1-5-32-26(30)21-15(3)27-19-13-14(2)20(25(29)31-4)24(28)23(19)22(21)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,14,20,22,27H,5,13H2,1-4H3/t14-,20+,22-/m1/s1
SMILES: COC(=O)[C@@]1(C[C@H]1C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)[C@]5(CC5(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC
InChI: InChI=1S/C40H34O4/c1-43-36(41)38(26-35(38)30-12-6-3-7-13-30)31-22-18-28(19-23-31)29-20-24-34(25-21-29)40(37(42)44-2)27-39(40,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-25,35H,26-27H2,1-2H3/t35-,38-,40+/m0/s1
SMILES: CC1=CC(=C2[C@H]3C=CC[C@H]3[C@H](NC2=C1)C4=CC=C(C=C4)C(=O)[O-])C
InChI: InChI=1S/C21H21NO2/c1-12-10-13(2)19-16-4-3-5-17(16)20(22-18(19)11-12)14-6-8-15(9-7-14)21(23)24/h3-4,6-11,16-17,20,22H,5H2,1-2H3,(H,23,24)/p-1/t16-,17+,20+/m0/s1
SMILES: CCC(=O)N(CC1=CC(=C(C=C1)OC)OC)[C@H]2C[C@@H](N(C[C@@H]2C)C)C
InChI: InChI=1S/C20H32N2O3/c1-7-20(23)22(17-10-15(3)21(4)12-14(17)2)13-16-8-9-18(24-5)19(11-16)25-6/h8-9,11,14-15,17H,7,10,12-13H2,1-6H3/t14-,15-,17-/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5)Cl
InChI: InChI=1S/C23H21ClN4O4/c1-11-14(24)8-7-13-19(11)26-22(32)23(13)18-17(15(27-23)9-16(25)29)20(30)28(21(18)31)10-12-5-3-2-4-6-12/h2-8,15,17-18,27H,9-10H2,1H3,(H2,25,29)(H,26,32)/t15-,17+,18-,23-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl
InChI: InChI=1S/C19H22ClN3O3S/c1-10-4-3-5-14(11(10)2)21-19(27)23-22-18(25)17-9-15(24)13-8-12(20)6-7-16(13)26-17/h6-11,14H,3-5H2,1-2H3,(H,22,25)(H2,21,23,27)/t10-,11+,14+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)C[NH+](C)CC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H23Cl2N3O2/c1-12-5-3-4-8-18(12)16(24)23(17(25)21-18)11-22(2)10-13-6-7-14(19)15(20)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,21,25)/p+1/t12-,18+/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)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN(C)CC=C
InChI: InChI=1S/C37H40N2O4/c1-4-20-39(3)24-34-26(2)35(29-18-16-27(25-40)17-19-29)43-37(42-34)33-15-9-14-32(22-33)31-13-8-10-28(21-31)23-38-36(41)30-11-6-5-7-12-30/h4-19,21-22,26,34-35,37,40H,1,20,23-25H2,2-3H3,(H,38,41)/t26-,34+,35+,37+/m0/s1
SMILES: C/C(=C\C[C@H]1[C@](O1)(C)C2[C@@H]([C@@H](CCC23CO3)OC(=O)N[C@@H](C(=O)N)C(C)(C)O)OC)/CO
InChI: InChI=1S/C22H36N2O8/c1-12(10-25)6-7-14-21(4,32-14)16-15(29-5)13(8-9-22(16)11-30-22)31-19(27)24-17(18(23)26)20(2,3)28/h6,13-17,25,28H,7-11H2,1-5H3,(H2,23,26)(H,24,27)/b12-6+/t13-,14+,15-,16?,17+,21-,22?/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=C(C(=CC=C5)Cl)Cl
InChI: InChI=1S/C24H18Cl4N2O2S/c25-15-7-4-6-13(21(15)27)23-14-11-19(33-18-10-2-1-9-17(18)30(31)32)22(28)20(14)12-5-3-8-16(26)24(12)29-23/h1-10,14,19-20,22-23,29H,11H2/t14-,19+,20-,22-,23-/m0/s1
SMILES: CC[C@@]1(COC(O1)(C)C)C[C@H]2[C@@H](C(=C3[C@]4([C@@H]2N(CC4)C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6N3)C(=O)OC)CO
InChI: InChI=1S/C33H40N2O7/c1-5-32(20-41-31(2,3)42-32)17-22-23(18-36)26(29(37)39-4)27-33(24-13-9-10-14-25(24)34-27)15-16-35(28(22)33)30(38)40-19-21-11-7-6-8-12-21/h6-14,22-23,28,34,36H,5,15-20H2,1-4H3/t22-,23-,28+,32-,33+/m0/s1
SMILES: CCC/C=C\C1=C([C@H]([C@H]2[C@@H](C1=O)O2)O[Si](C)(C)C(C)(C)C)C(=O)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C26H36O6Si/c1-8-9-10-11-19-20(25(28)30-16-17-12-14-18(29-5)15-13-17)22(24-23(31-24)21(19)27)32-33(6,7)26(2,3)4/h10-15,22-24H,8-9,16H2,1-7H3/b11-10-/t22-,23-,24+/m1/s1
SMILES: C[C@@H]1CC(=C[C@@H]([C@@H]1C2OCC3(CO2)COC(OC3)[C@@H]4[C@H](CC(=C[C@H]4C)C)C)C)C
InChI: InChI=1S/C25H40O4/c1-15-7-17(3)21(18(4)8-15)23-26-11-25(12-27-23)13-28-24(29-14-25)22-19(5)9-16(2)10-20(22)6/h7,9,17-24H,8,10-14H2,1-6H3/t17-,18+,19+,20-,21-,22-,23?,24?,25?/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](CC(=O)N2)C3=CC=CC=C3)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C18H19NO4/c1-10-8-13-16(17(21)15(10)18(22)23-2)12(9-14(20)19-13)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,20)/t10-,12-,15-/m1/s1
SMILES: C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CCC4OCCO4)C)C=C(C=C3)O
InChI: InChI=1S/C19H27NO3/c1-13-17-11-14-3-4-15(21)12-16(14)19(13,2)6-8-20(17)7-5-18-22-9-10-23-18/h3-4,12-13,17-18,21H,5-11H2,1-2H3/t13-,17-,19+/m0/s1
SMILES: C=CC1=CC[C@]2(C(=O)N(C(=O)[C@]2([C@H]1C3=C(C=CC(=C3)OC(F)(F)F)O)Cl)C4=C(C(=C(C(=C4F)F)F)F)F)Cl
InChI: InChI=1S/C23H11Cl2F8NO4/c1-2-8-5-6-21(24)19(36)34(18-16(29)14(27)13(26)15(28)17(18)30)20(37)22(21,25)12(8)10-7-9(3-4-11(10)35)38-23(31,32)33/h2-5,7,12,35H,1,6H2/t12-,21-,22+/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)NCC(=O)O
InChI: InChI=1S/C22H28N2O5/c25-15-4-3-13-9-16-22(28)6-5-14(23-10-17(26)27)20-21(22,18(13)19(15)29-20)7-8-24(16)11-12-1-2-12/h3-4,12,14,16,20,23,25,28H,1-2,5-11H2,(H,26,27)/t14?,16-,20+,21+,22-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCC(CC6)(C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C44H40ClF5N2O5/c1-25-34(23-52-19-17-44(55,18-20-52)32-13-15-33(45)16-14-32)56-43(57-41(25)29-7-5-26(24-53)6-8-29)30-11-9-28(10-12-30)31-4-2-3-27(21-31)22-51-42(54)35-36(46)38(48)40(50)39(49)37(35)47/h2-16,21,25,34,41,43,53,55H,17-20,22-24H2,1H3,(H,51,54)/t25-,34+,41+,43+/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H22N2O3/c1-17-22(24(28)19-11-6-3-7-12-19)23(27-25(29)26-17)20-13-8-14-21(15-20)30-16-18-9-4-2-5-10-18/h2-15,22-23H,1,16H2,(H2,26,27,29)/t22-,23+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[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
InChI: InChI=1S/C31H26N2O9/c1-19-17-33(31(38)32-26(19)34)27-25(42-30(37)22-15-9-4-10-16-22)24(41-29(36)21-13-7-3-8-14-21)23(40-27)18-39-28(35)20-11-5-2-6-12-20/h2-17,23-25,27H,18H2,1H3,(H,32,34,38)/t23-,24+,25+,27-/m0/s1
SMILES: CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C27H29N3O4S/c1-29(2)17-18-30-22-11-7-8-12-23(22)35-25(19-13-15-21(33-3)16-14-19)24(26(30)31)34-27(32)28-20-9-5-4-6-10-20/h4-16,24-25H,17-18H2,1-3H3,(H,28,32)/t24-,25+/m1/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl
InChI: InChI=1S/C18H16ClFN2O2S2/c19-14-8-13(6-7-15(14)20)22-17-11-26(23,24)10-16(17)21-18(22)25-9-12-4-2-1-3-5-12/h1-8,16-17H,9-11H2/t16-,17+/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)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCC
InChI: InChI=1S/C48H59N3O12/c1-5-22-50(47(55)59-7-3)44-29-41(49-61-31-32-14-16-35(17-15-32)51(56)57)39-27-33(12-8-10-23-52)38(13-9-11-24-53)45-40-28-37(62-36-18-20-42(58-4)34(26-36)30-54)19-21-43(40)63-48(44,46(39)45)60-25-6-2/h6,14-21,26-28,30,33,38,44-46,52-53H,2,5,7-13,22-25,29,31H2,1,3-4H3/t33-,38+,44-,45+,46+,48+/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)C4=CC=CC(=C4)CNC(=O)C)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C39H44N2O6/c1-25-37(23-41-16-15-32-19-35(44-3)36(45-4)20-34(32)22-41)46-39(47-38(25)29-13-11-27(24-42)12-14-29)33-10-6-9-31(18-33)30-8-5-7-28(17-30)21-40-26(2)43/h5-14,17-20,25,37-39,42H,15-16,21-24H2,1-4H3,(H,40,43)/t25-,37+,38+,39+/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NNC3=NC=NC4=CC=CC=C43)C(=O)[O-]
InChI: InChI=1S/C17H16N4O3/c22-16(13-9-5-6-10(7-9)14(13)17(23)24)21-20-15-11-3-1-2-4-12(11)18-8-19-15/h1-6,8-10,13-14H,7H2,(H,21,22)(H,23,24)(H,18,19,20)/p-1/t9-,10+,13+,14+/m1/s1
SMILES: CC[C@H](C)[C@H](C(=O)OC)NC(=O)[C@@H]1C[C@@]2([C@H](N1C(=O)OC(C)(C)C)N(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(C)(C)C=C
InChI: InChI=1S/C33H49N3O7/c1-13-20(3)24(26(38)41-12)34-25(37)23-19-33(32(10,11)14-2)21-17-15-16-18-22(21)35(28(39)42-30(4,5)6)27(33)36(23)29(40)43-31(7,8)9/h14-18,20,23-24,27H,2,13,19H2,1,3-12H3,(H,34,37)/t20-,23-,24+,27-,33+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OCC3=CC=CC=C3)OCC[Si](C)(C)C)COCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)O[Si](C)(C)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C55H77NO12Si2/c1-39(57)56-47-50(64-40(2)58)49(68-70(9,10)55(3,4)5)46(38-60-34-42-25-17-12-18-26-42)65-53(47)67-51-48(62-35-43-27-19-13-20-28-43)45(37-59-33-41-23-15-11-16-24-41)66-54(61-31-32-69(6,7)8)52(51)63-36-44-29-21-14-22-30-44/h11-30,45-54H,31-38H2,1-10H3,(H,56,57)/t45-,46-,47-,48+,49-,50-,51+,52-,53+,54-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=C(C=C5)F)Cl
InChI: InChI=1S/C22H16ClFN2O3/c1-11(27)19-17-18(20-14-5-3-2-4-12(14)8-9-25(19)20)22(29)26(21(17)28)13-6-7-16(24)15(23)10-13/h2-10,17-20H,1H3/t17-,18+,19-,20-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@]2(C3=C(C=CC(=C3)C)NC2=O)N4[C@@H]1CCC4
InChI: InChI=1S/C18H22N2O3/c1-3-23-16(21)12-10-18(20-8-4-5-15(12)20)13-9-11(2)6-7-14(13)19-17(18)22/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,19,22)/t12-,15-,18-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3OC(F)F
InChI: InChI=1S/C19H18F2N2O6/c20-19(21)29-14-8-4-3-7-13(14)22-15(24)10-28-16(25)9-23-17(26)11-5-1-2-6-12(11)18(23)27/h1-4,7-8,11-12,19H,5-6,9-10H2,(H,22,24)/t11-,12-/m0/s1
SMILES: C[C@]12[C@@H]3CCC[C@@H]3[C@H]1C(=O)O[C@H]2CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H30O3Si/c1-16(2,3)21(5,6)19-10-13-17(4)12-9-7-8-11(12)14(17)15(18)20-13/h11-14H,7-10H2,1-6H3/t11-,12+,13-,14-,17+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C2[C@H]([C@H]([C@@H](O2)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C19H38N2O6Si3/c1-13-11-21(19(23)20-17(13)22)18-16(27-30(8,9)10)15(26-29(5,6)7)14(25-18)12-24-28(2,3)4/h11,14-16,18H,12H2,1-10H3,(H,20,22,23)/t14-,15-,16-,18?/m0/s1
SMILES: CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(=O)C)C)[C@@H]5[C@H]([C@H]([C@H](CO5)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
InChI: InChI=1S/C30H30N2O9.BrH/c1-14-23-12-32(30-29(41-19(6)36)28(40-18(5)35)25(13-37-30)39-17(4)34)10-9-21(23)15(2)27-26(14)22-11-20(38-16(3)33)7-8-24(22)31-27;/h7-12,25,28-30H,13H2,1-6H3;1H/t25-,28-,29-,30-;/m0./s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(C[C@@]4(CC[C@H]3[C@@H]1CCC2=O)O)(OC)OC)C5=CC=C(C=C5)C6OCCO6
InChI: InChI=1S/C29H38O6/c1-27-16-21(18-4-6-19(7-5-18)26-34-14-15-35-26)25-20(22(27)8-9-24(27)30)10-12-28(31)17-29(32-2,33-3)13-11-23(25)28/h4-7,20-22,26,31H,8-17H2,1-3H3/t20-,21+,22-,27-,28+/m0/s1
SMILES: C[C@@H]1CC2(C[C@@H]3[C@@H]1CC[C@H]4[C@]3(CC[C@H](C4(C)C)O)C)OCCO2
InChI: InChI=1S/C20H34O3/c1-13-11-20(22-9-10-23-20)12-15-14(13)5-6-16-18(2,3)17(21)7-8-19(15,16)4/h13-17,21H,5-12H2,1-4H3/t13-,14-,15-,16-,17-,19+/m1/s1
SMILES: CCSC[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)/C=N/OC(=O)SCC)C)O
InChI: InChI=1S/C31H39NO4S2/c1-4-37-19-31(35)15-14-27-25-12-10-22-16-23(33)11-13-24(22)28(25)26(17-30(27,31)3)21-8-6-20(7-9-21)18-32-36-29(34)38-5-2/h6-9,16,18,25-27,35H,4-5,10-15,17,19H2,1-3H3/b32-18+/t25-,26+,27-,30-,31+/m0/s1
SMILES: C=CCCCO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C26H27NO7/c1-2-3-9-14-31-26-20(27-23(29)17-12-7-8-13-18(17)24(27)30)21(28)22-19(33-26)15-32-25(34-22)16-10-5-4-6-11-16/h2,4-8,10-13,19-22,25-26,28H,1,3,9,14-15H2/t19-,20-,21-,22-,25-,26-/m1/s1
SMILES: C[C@@]12[C@@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O
InChI: InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)C3=CC=CC=C3)O[Si](CC)(CC)CC)OC
InChI: InChI=1S/C25H39O5Si.3C4H9.Sn/c1-8-31(9-2,10-3)30-24-22(18(6)21(26-7)17(4)5)28-20-16-27-25(29-23(20)24)19-14-12-11-13-15-19;3*1-3-4-2;/h4,11-15,18,20-25H,8-10,16H2,1-3,5-7H3;3*1,3-4H2,2H3;/t18-,20-,21-,22+,23+,24-,25+;;;;/m1..../s1
SMILES: C[C@@H]1[C@@H](C[C@@H]([NH2+][C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C18H21NO/c1-13-17(20)12-16(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,16-20H,12H2,1H3/p+1/t13-,16-,17-,18+/m1/s1
SMILES: C([C@H]([C@@H]([C@H](C=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C11H18O11/c12-1-3(14)5(15)4(2-13)21-11-8(18)6(16)7(17)9(22-11)10(19)20/h2-9,11-12,14-18H,1H2,(H,19,20)/t3-,4+,5+,6+,7+,8-,9+,11+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)C=O)OCC=C)CCCCO)CCCCO)C(=O)CCC6CCCC6
InChI: InChI=1S/C47H64N2O8/c1-4-24-49(44(53)23-20-33-14-7-8-15-33)43-31-41(48-55-6-3)39-29-35(17-9-11-25-50)38(19-10-12-26-51)45-40-30-37(56-36-18-13-16-34(28-36)32-52)21-22-42(40)57-47(43,46(39)45)54-27-5-2/h5,13,16,18,21-22,28-30,32-33,35,38,43,45-46,50-51H,2,4,6-12,14-15,17,19-20,23-27,31H2,1,3H3/t35-,38+,43-,45+,46+,47+/m0/s1
SMILES: CC1=NN=C(O1)[C@]2(CC[C@H]3[C@H]([C@@H]2CC#N)CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C21H27N3O2/c1-13-23-24-19(26-13)21(3)10-7-17-16(18(21)8-11-22)5-4-14-12-15(25)6-9-20(14,17)2/h12,16-18H,4-10H2,1-3H3/t16-,17+,18+,20+,21+/m1/s1
SMILES: CC1[C@@H](C(=O)NCC(C(O[C@H](C(=O)O[C@@H](C/C=C/C1=O)[C@H](C)[C@H]2[C@H](O2)C3=CC=CC=C3)CC(C)C)C)(C)C)C4=CC=C(C=C4)O
InChI: InChI=1S/C37H49NO7/c1-22(2)20-31-36(42)44-30(24(4)33-34(45-33)27-12-9-8-10-13-27)15-11-14-29(40)23(3)32(26-16-18-28(39)19-17-26)35(41)38-21-37(6,7)25(5)43-31/h8-14,16-19,22-25,30-34,39H,15,20-21H2,1-7H3,(H,38,41)/b14-11+/t23?,24-,25?,30-,31-,32+,33-,34+/m0/s1
SMILES: CCCCCCCCCCCCC(C(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)CC(CCCCCCCCCCC)O)O)CO)OP(=O)(O)O)OC(=O)CCCCCCCCC
InChI: InChI=1S/C44H84NO13P/c1-4-7-10-13-16-18-20-23-25-28-31-36(55-39(49)32-29-26-21-15-12-9-6-3)43(50)57-42-40(44(51)56-37(34-46)41(42)58-59(52,53)54)45-38(48)33-35(47)30-27-24-22-19-17-14-11-8-5-2/h35-37,40-42,44,46-47,51H,4-34H2,1-3H3,(H,45,48)(H2,52,53,54)/t35?,36?,37-,40-,41-,42-,44?/m1/s1