EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OCF)/C4=NSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C=C/CI
InChI: InChI=1S/C42H36FIN6O6S2/c1-54-32-21-19-27(20-22-32)24-55-40(53)35-28(12-11-23-44)25-57-39-34(38(52)50(35)39)45-37(51)33(48-56-26-43)36-46-41(58-49-36)47-42(29-13-5-2-6-14-29,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-22,34,39H,23-26H2,1H3,(H,45,51)(H,46,47,49)/b12-11+,48-33-/t34-,39-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI: InChI=1S/C14H14F3N3O6S/c1-2-26-11(22)9-10(7-5-6(20(24)25)3-4-8(7)21)18-12(27)19-13(9,23)14(15,16)17/h3-5,9-10,21,23H,2H2,1H3,(H2,18,19,27)/t9-,10+,13+/m0/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)C(=O)OCC5=CC=CC=C5)OCC=C
InChI: InChI=1S/C41H55N3O9/c1-5-23-50-41-36(44(4)40(48)49-27-28-15-9-8-10-16-28)26-34(43-51-7-3)32-24-29(17-11-13-21-45)31(18-12-14-22-46)37(38(32)41)33-25-30(19-20-35(33)53-41)52-39(47)42-6-2/h5,8-10,15-16,19-20,24-25,29,31,36-38,45-46H,1,6-7,11-14,17-18,21-23,26-27H2,2-4H3,(H,42,47)/t29-,31+,36-,37+,38+,41+/m0/s1
SMILES: CCC(C(CC)C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O)C(=O)O
InChI: InChI=1S/C30H42O8/c1-6-18(26(34)35)19(7-2)27(36)38-15-24(33)30(37)11-9-21-20-12-16(3)22-13-17(31)8-10-28(22,4)25(20)23(32)14-29(21,30)5/h8,10,13,16,18-21,23,25,32,37H,6-7,9,11-12,14-15H2,1-5H3,(H,34,35)/t16-,18?,19?,20-,21-,23-,25+,28-,29-,30-/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(C=C5)O)Cl)C)Cl
InChI: InChI=1S/C22H20Cl2N2O5/c1-25-17(28)13-8-7-12-14(15(13)18(25)29)9-21(23)19(30)26(2)20(31)22(21,24)16(12)10-3-5-11(27)6-4-10/h3-7,13-16,27H,8-9H2,1-2H3/t13-,14+,15-,16-,21+,22-/m0/s1
SMILES: CCCC1=CC=C(C=C1)CNC(=O)C2=C(C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C23H29NO8/c1-2-4-13-7-9-14(10-8-13)11-24-22(30)18-15(26)5-3-6-16(18)31-23-21(29)20(28)19(27)17(12-25)32-23/h3,5-10,17,19-21,23,25-29H,2,4,11-12H2,1H3,(H,24,30)/t17-,19-,20+,21-,23-/m1/s1
SMILES: COC(=O)[C@@H]1C[C@H]2CC[C@@H](C[C@H]2N1CC3=CC=C(C=C3)Cl)O
InChI: InChI=1S/C17H22ClNO3/c1-22-17(21)16-8-12-4-7-14(20)9-15(12)19(16)10-11-2-5-13(18)6-3-11/h2-3,5-6,12,14-16,20H,4,7-10H2,1H3/t12-,14+,15-,16+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COCCO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCCO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCCOC(=O)CCCCCCCCCCCCCCC)O)O)N)O)N)O
InChI: InChI=1S/C56H107N3O18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43(62)59-47-51(67)53(41(73-54(47)68)38-69-33-31-60)77-56-46(58)50(66)52(42(75-56)39-70-34-32-61)76-55-45(57)49(65)48(64)40(74-55)37-71-35-36-72-44(63)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-42,45-56,60-61,64-68H,3-39,57-58H2,1-2H3,(H,59,62)/t40-,41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+/m1/s1
SMILES: C[C@H](CC[C@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)OC)O)O)C(C)C)[C@H]2[C@H]([C@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)C)O)O
InChI: InChI=1S/C35H62O9/c1-18(2)20(11-14-43-33-32(41)29(38)26(42-6)17-44-33)8-7-19(3)27-30(39)31(40)28-22-16-25(37)24-15-21(36)9-12-34(24,4)23(22)10-13-35(27,28)5/h18-33,36-41H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-,31+,32-,33-,34-,35-/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54
InChI: InChI=1S/C19H18N2O2/c22-19(21-16-10-12-6-7-15(16)20-12)11-5-8-18-14(9-11)13-3-1-2-4-17(13)23-18/h1-5,8-9,12,15-16,20H,6-7,10H2,(H,21,22)/t12-,15+,16-/m1/s1
SMILES: CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C21H20ClNO6/c1-11-6-17-15(8-16(11)22)12(7-18(24)29-17)10-28-19(25)9-23-20(26)13-4-2-3-5-14(13)21(23)27/h6-8,13-14H,2-5,9-10H2,1H3/t13-,14-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=C(C=C(C=C6)OC)OC)C(=O)NC7=CC=CC=C7)O)C(=C5)C(=O)C8=CC=CC=C8C9=CC=CC=C9)O)C
InChI: InChI=1S/C51H56N2O6/c1-47-24-21-37(54)30-49(47)27-28-51(41(31-49)45(55)40-18-12-11-17-39(40)34-13-7-5-8-14-34)43(47)22-25-48(2)44(51)23-26-50(48,57)33-53(46(56)52-36-15-9-6-10-16-36)32-35-19-20-38(58-3)29-42(35)59-4/h5-20,27-29,31,37,43-44,54,57H,21-26,30,32-33H2,1-4H3,(H,52,56)/t37?,43-,44-,47-,48+,49+,50-,51-/m1/s1
SMILES: CCOC(CC(=C)[C@@H]1CCC(=O)[C@@]1(C)C[CH][C]([CH2])C(=O)OCC)OCC.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2]
InChI: InChI=1S/C21H33O5.C5H5.2CO.W/c1-7-24-19(25-8-2)14-16(5)17-10-11-18(22)21(17,6)13-12-15(4)20(23)26-9-3;1-2-4-5-3-1;2*1-2;/h12,17,19H,4-5,7-11,13-14H2,1-3,6H3;1-5H;;;/q;;;;+2/t17-,21-;;;;/m0..../s1
SMILES: C1CC(=O)N(C1=O)[C@@]2([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6
InChI: InChI=1S/C38H39NO7/c40-34-21-22-35(41)39(34)38(28-43-24-30-15-7-2-8-16-30)37(45-26-32-19-11-4-12-20-32)36(44-25-31-17-9-3-10-18-31)33(46-38)27-42-23-29-13-5-1-6-14-29/h1-20,33,36-37H,21-28H2/t33-,36-,37+,38+/m1/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC(=C3)C=CCC4=CC=CC=C4O)OC(O2)(C5CC5)C6CC6)O
InChI: InChI=1S/C36H42N2O9/c1-21(40)31(34(43)37-16-17-39)38-33(42)25-19-29(32-30(20-25)46-36(47-32,26-12-13-26)27-14-15-27)45-35(44)24-10-5-7-22(18-24)6-4-9-23-8-2-3-11-28(23)41/h2-8,10-11,18,20-21,26-27,29-32,39-41H,9,12-17,19H2,1H3,(H,37,43)(H,38,42)/t21-,29+,30+,31+,32-/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)NC45CC6CC(C4)CC(C6)C5)CN7CC8(CC7CC(C8)(C)C)C
InChI: InChI=1S/C40H55N3O4/c1-25-34(21-43-24-39(4)20-33(43)19-38(2,3)23-39)46-36(47-35(25)30-10-8-26(22-44)9-11-30)31-6-5-7-32(15-31)41-37(45)42-40-16-27-12-28(17-40)14-29(13-27)18-40/h5-11,15,25,27-29,33-36,44H,12-14,16-24H2,1-4H3,(H2,41,42,45)/t25-,27?,28?,29?,33?,34+,35+,36+,39?,40?/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=NOC(=C3)C
InChI: InChI=1S/C16H20N4O5/c1-9-5-3-4-6-11(9)20-15(23)14(22)19(16(20)24)8-13(21)17-12-7-10(2)25-18-12/h7,9,11H,3-6,8H2,1-2H3,(H,17,18,21)/t9-,11+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@H]6[C@@H]([C@H](O5)C)OC(O6)(C)C)O
InChI: InChI=1S/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17?,18-,19-,21+,22-,23+,24-,27+,28?,29+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H]4[C@H](O4)C5=CC(=O)C=C[C@]35C
InChI: InChI=1S/C19H22O3/c1-18-7-5-10(20)9-13(18)16-17(22-16)15-11-3-4-14(21)19(11,2)8-6-12(15)18/h5,7,9,11-12,15-17H,3-4,6,8H2,1-2H3/t11-,12-,15-,16+,17-,18+,19-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C=C)C(=O)N(C3=O)C7=CC=C(C=C7)C=C)O
InChI: InChI=1S/C38H34N2O6/c1-4-21-7-12-24(13-8-21)39-35(42)27-17-16-26-28(33(27)37(39)44)20-29-34(32(26)23-11-18-30(41)31(19-23)46-6-3)38(45)40(36(29)43)25-14-9-22(5-2)10-15-25/h4-5,7-16,18-19,27-29,32-34,41H,1-2,6,17,20H2,3H3/t27-,28+,29+,32-,33-,34+/m0/s1
SMILES: C[C@@H](CCC=C(C)C)[C@H]1CC[C@]2([C@H]1C/C=C(\[C@H]3[C@H](C2)[C@](CC3=O)(C)O)/C=O)C
InChI: InChI=1S/C25H38O3/c1-16(2)7-6-8-17(3)19-11-12-24(4)13-21-23(22(27)14-25(21,5)28)18(15-26)9-10-20(19)24/h7,9,15,17,19-21,23,28H,6,8,10-14H2,1-5H3/b18-9-/t17-,19+,20-,21-,23-,24+,25+/m0/s1
SMILES: C1[C@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC(=CC=C4)Cl)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C22H18ClNO4/c23-15-7-4-8-16(11-15)24-13-22-10-9-17(28-22)18(19(22)20(24)25)21(26)27-12-14-5-2-1-3-6-14/h1-11,17-19H,12-13H2/t17-,18+,19+,22+/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)O[C@]1(C)CC/C(=C\C(=O)CC(C)C)/C)C(=O)C2=C(C=C(C=C2)OC)O
InChI: InChI=1S/C24H32O6/c1-14(2)11-17(25)12-15(3)9-10-24(5)16(4)21(23(28)30-24)22(27)19-8-7-18(29-6)13-20(19)26/h7-8,12-14,16,21,26H,9-11H2,1-6H3/b15-12-/t16-,21+,24-/m1/s1
SMILES: CC(=CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C)C
InChI: InChI=1S/C17H28O6/c1-10(2)7-8-18-13-12(11-9-19-16(3,4)21-11)20-15-14(13)22-17(5,6)23-15/h7,11-15H,8-9H2,1-6H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)[N+](=O)[O-])O)O)OC(O1)C4=CC=CC=C4
InChI: InChI=1S/C19H19NO8/c21-15-16(22)19(26-13-8-6-12(7-9-13)20(23)24)27-14-10-25-18(28-17(14)15)11-4-2-1-3-5-11/h1-9,14-19,21-22H,10H2/t14-,15-,16-,17-,18?,19-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)OCCC(=O)C
InChI: InChI=1S/C31H54O3Si/c1-21(32)16-19-33-22(2)26-12-13-27-25-11-10-23-20-24(34-35(8,9)29(3,4)5)14-17-30(23,6)28(25)15-18-31(26,27)7/h10,22,24-28H,11-20H2,1-9H3/t22-,24-,25-,26+,27-,28-,30-,31+/m0/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(C=CC(=C5)Cl)O)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C36H32Cl3N3O6/c1-3-14-41-32(44)23-11-10-22-24(30(23)34(41)46)17-26-33(45)42(40-28-12-6-20(38)16-27(28)39)35(47)36(26,18-4-8-21(48-2)9-5-18)31(22)25-15-19(37)7-13-29(25)43/h4-10,12-13,15-16,23-24,26,30-31,40,43H,3,11,14,17H2,1-2H3/t23-,24+,26-,30-,31+,36+/m0/s1
SMILES: C1[C@@H](C(OC2=C1C(=CC3=C2C4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC=C(C=C7)O)O
InChI: InChI=1S/C30H24O11/c31-14-4-1-12(2-5-14)27-21(37)10-16-18(34)11-23-25(28(16)39-27)26-24-20(36)8-15(32)9-22(24)40-30(41-23,29(26)38)13-3-6-17(33)19(35)7-13/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26?,27?,29+,30-/m0/s1
SMILES: C1C[C@@H]([C@@H]([C@@](C1)(C#N)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C27H23NO3/c28-19-27(25(29)21-13-6-2-7-14-21)18-10-17-23(24(27)20-11-4-1-5-12-20)31-26(30)22-15-8-3-9-16-22/h1-9,11-16,23-24H,10,17-18H2/t23-,24-,27+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)F)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C18H14Cl2FN/c19-15-6-2-5-13(17(15)20)18-12-4-1-3-11(12)14-9-10(21)7-8-16(14)22-18/h1-3,5-9,11-12,18,22H,4H2/t11-,12-,18+/m1/s1
SMILES: CC(C)CCC([C@@](C)([C@H]1CCC2([C@@]1(CCC3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)O)O)O
InChI: InChI=1S/C33H54O11/c1-16(2)6-7-25(37)32(5,41)24-9-11-33(42)18-12-20(35)19-13-22(43-29-28(40)27(39)26(38)23(15-34)44-29)21(36)14-30(19,3)17(18)8-10-31(24,33)4/h12,16-17,19,21-29,34,36-42H,6-11,13-15H2,1-5H3/t17?,19-,21-,22+,23+,24-,25?,26+,27-,28+,29+,30+,31+,32+,33?/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)Cl)O)OC)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)Cl
InChI: InChI=1S/C30H21Cl3F6N2O6/c1-40-25(45)27(32)10-17-15(21(28(27,33)26(40)46)11-5-18(31)22(42)19(6-11)47-2)3-4-16-20(17)24(44)41(23(16)43)14-8-12(29(34,35)36)7-13(9-14)30(37,38)39/h3,5-9,16-17,20-21,42H,4,10H2,1-2H3/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)N=C2C3=C(C4=C(C2=O)C(=C(C5=C4C(=O)[C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)N=C(N3)C6=CC=CC=C6)/C
InChI: InChI=1S/C44H49N3O11/c1-20-14-13-15-21(2)43(54)47-34-33-32(45-42(46-33)27-16-11-10-12-17-27)29-30(38(34)52)37(51)25(6)40-31(29)41(53)44(8,58-40)56-19-18-28(55-9)22(3)39(57-26(7)48)24(5)36(50)23(4)35(20)49/h10-20,22-24,28,35-36,39,49-51H,1-9H3,(H,45,46)/b14-13+,19-18+,21-15-,47-34?/t20-,22+,23+,24+,28-,35-,36+,39+,44-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCO
InChI: InChI=1S/C23H34O3/c1-23-11-10-19-18-7-6-17(25)14-16(18)13-15(5-3-2-4-12-24)22(19)20(23)8-9-21(23)26/h6-7,14-15,19-22,24-26H,2-5,8-13H2,1H3/t15-,19-,20+,21+,22-,23+/m1/s1
SMILES: CC1=CC(=CC=C1)N([C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H23NO5S/c1-18-9-8-14-21(15-18)26(24(27)19-10-4-2-5-11-19)22-16-32(29,30)17-23(22)31-25(28)20-12-6-3-7-13-20/h2-15,22-23H,16-17H2,1H3/t22-,23+/m1/s1
SMILES: C[C@@H](CCC[C@@H](C)[C@H]1CC(=O)C2=C3C[C@@H](C4[C@H]([C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O)O)O)CO
InChI: InChI=1S/C27H44O5/c1-15(14-28)6-5-7-16(2)19-13-22(31)23-17-12-21(30)24-25(32)20(29)9-11-26(24,3)18(17)8-10-27(19,23)4/h15-16,18-21,24-25,28-30,32H,5-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,24?,25-,26+,27+/m0/s1
SMILES: C1C[NH+]2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=C5C=CC(=C7)N
InChI: InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/p+1/t13-,16-,17-,19-,20-,21+/m0/s1
SMILES: COC1=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)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8CCN(CC8)CC9=CC=CC=C9)O
InChI: InChI=1S/C45H42ClFN4O6/c1-57-38-23-27(7-18-37(38)52)40-33-16-17-34-39(43(55)50(41(34)53)32-19-21-49(22-20-32)25-26-5-3-2-4-6-26)35(33)24-36-42(54)51(48-31-14-12-30(47)13-15-31)44(56)45(36,40)28-8-10-29(46)11-9-28/h2-16,18,23,32,34-36,39-40,48,52H,17,19-22,24-25H2,1H3/t34-,35+,36-,39-,40-,45+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H](C=C1C)C=C(C)C)C(=O)N(C2=O)CC3=CC=CO3
InChI: InChI=1S/C19H23NO3/c1-11(2)8-14-9-12(3)13(4)16-17(14)19(22)20(18(16)21)10-15-6-5-7-23-15/h5-9,13-14,16-17H,10H2,1-4H3/t13-,14-,16-,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C19H26N2O7S/c1-11-6-8-12(9-7-11)29(22,23)21-20-10-13-14-15(26-18(2,3)25-14)16-17(24-13)28-19(4,5)27-16/h6-10,13-17,21H,1-5H3/b20-10+/t13?,14-,15-,16+,17+/m0/s1
SMILES: C[C@@H]1CC=C2[C@H]([C@@]1(CCOC3CCCCO3)CO)CCC[C@@]2(C)CCCC(=C)C
InChI: InChI=1S/C26H44O3/c1-20(2)9-7-14-25(4)15-8-10-23-22(25)13-12-21(3)26(23,19-27)16-18-29-24-11-5-6-17-28-24/h13,21,23-24,27H,1,5-12,14-19H2,2-4H3/t21-,23-,24?,25-,26+/m1/s1
SMILES: CC(C)C(=C)CCC(C)C1CC[C@@]2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C\C6=CC=C(C=C6)O)C)C
InChI: InChI=1S/C40H58O3/c1-26(2)27(3)9-10-28(4)31-19-21-38(8)33-17-16-32-36(5,6)34(43-35(42)18-13-29-11-14-30(41)15-12-29)20-22-39(32)25-40(33,39)24-23-37(31,38)7/h11-15,18,26,28,31-34,41H,3,9-10,16-17,19-25H2,1-2,4-8H3/b18-13-/t28?,31?,32?,33?,34-,37+,38-,39+,40-/m0/s1
SMILES: C[C@@]12CCCC([C@H]1CCC3=C2C=C(C=C3)OCC4=CC=CC=C4)(C)C
InChI: InChI=1S/C24H30O/c1-23(2)14-7-15-24(3)21-16-20(12-10-19(21)11-13-22(23)24)25-17-18-8-5-4-6-9-18/h4-6,8-10,12,16,22H,7,11,13-15,17H2,1-3H3/t22-,24+/m1/s1
SMILES: C[C@@]1(CCC2(C1)OCCO2)CC[C@]3([C@H](CCC[C@@H]3O[Si](C)(C)C(C)(C)C)OCC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C31H52O5Si/c1-28(2,3)37(7,8)36-27-11-9-10-26(33-22-24-12-14-25(32-6)15-13-24)30(27,5)18-16-29(4)17-19-31(23-29)34-20-21-35-31/h12-15,26-27H,9-11,16-23H2,1-8H3/t26-,27-,29-,30-/m0/s1
SMILES: CN[C@H]1CN(C[C@@H]1OC)C2=CC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)CC5=NC=CN5CC(F)F.Cl
InChI: InChI=1S/C24H26F2N6O2S.ClH/c1-27-18-12-31(13-20(18)34-2)16-3-4-17-19(10-16)32(24-29-6-8-35-24)11-15(23(17)33)9-22-28-5-7-30(22)14-21(25)26;/h3-8,10-11,18,20-21,27H,9,12-14H2,1-2H3;1H/t18-,20-;/m0./s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)OCC2=C3C=CC=CC3=CC4=CC=CC=C42)C5=COC=C5
InChI: InChI=1S/C29H31NO4/c1-29(2,3)34-28(31)30-14-12-25(22-13-15-32-18-22)27(17-30)33-19-26-23-10-6-4-8-20(23)16-21-9-5-7-11-24(21)26/h4-11,13,15-16,18,25,27H,12,14,17,19H2,1-3H3/t25-,27+/m1/s1
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)C)C
InChI: InChI=1S/C24H27NO5S/c1-11-5-6-14(9-12(11)2)17-13(3)31-22(20(17)24(29)30-4)25-21(26)18-15-7-8-16(10-15)19(18)23(27)28/h5-6,9,15-16,18-19H,7-8,10H2,1-4H3,(H,25,26)(H,27,28)/t15-,16-,18-,19-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CCN5CCCCC5
InChI: InChI=1S/C26H35NO3/c1-26-13-11-21-20-8-6-19(30-25(29)12-16-27-14-3-2-4-15-27)17-18(20)5-7-22(21)23(26)9-10-24(26)28/h6,8,17,21-23H,2-5,7,9-16H2,1H3/t21-,22-,23-,26-/m0/s1
SMILES: CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H24ClN3O3/c1-14-6-7-15(22)12-18(14)23-8-10-24(11-9-23)19(26)13-25-20(27)16-4-2-3-5-17(16)21(25)28/h2-3,6-7,12,16-17H,4-5,8-11,13H2,1H3/t16-,17+
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C19H15Cl2NO2/c20-12-8-15(21)17-13-2-1-3-14(13)18(22-16(17)9-12)10-4-6-11(7-5-10)19(23)24/h1-2,4-9,13-14,18,22H,3H2,(H,23,24)/p-1/t13-,14+,18-/m0/s1
SMILES: C[C@]12C[C@H]3CC[C@@H](C[C@@H]3C[C@@H]1CC=C2OS(=O)(=O)C(F)(F)F)CCOCOC
InChI: InChI=1S/C19H29F3O5S/c1-18-11-14-4-3-13(7-8-26-12-25-2)9-15(14)10-16(18)5-6-17(18)27-28(23,24)19(20,21)22/h6,13-16H,3-5,7-12H2,1-2H3/t13-,14-,15-,16+,18+/m1/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=NC=C4
InChI: InChI=1S/C24H22N4O/c1-23(2,3)22(29)21-20(17-10-12-27-13-11-17)24(14-25,15-26)19-9-8-16-6-4-5-7-18(16)28(19)21/h4-13,19-21H,1-3H3/t19-,20-,21-/m1/s1
SMILES: C[C@@]12CCCC[C@@]13[C@H]4[C@@H]([C@@H](C2=O)O3)N(C5=CC=CC=C45)CC6=CC=CC=C6
InChI: InChI=1S/C24H25NO2/c1-23-13-7-8-14-24(23)19-17-11-5-6-12-18(17)25(15-16-9-3-2-4-10-16)20(19)21(27-24)22(23)26/h2-6,9-12,19-21H,7-8,13-15H2,1H3/t19-,20+,21+,23+,24-/m1/s1
SMILES: CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3Cl)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H20ClN3O3/c1-11(2)18-16-17(20(28)26(19(16)27)15-10-6-4-8-13(15)23)22(25-18)12-7-3-5-9-14(12)24-21(22)29/h3-11,16-18,25H,1-2H3,(H,24,29)/t16-,17-,18-,22-/m0/s1
SMILES: CC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)F
InChI: InChI=1S/C13H13FN2O3S2/c1-8(17)15-13-16(10-4-2-9(14)3-5-10)11-6-21(18,19)7-12(11)20-13/h2-5,11-12H,6-7H2,1H3/t11-,12+/m1/s1
SMILES: CC(C)NC(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC4=CC(=CC=C4)O
InChI: InChI=1S/C25H35N3O4S/c1-14(2)26-21(32)11-17-22-18(33-23(28-22)27-15-6-5-7-16(30)10-15)12-19-24(17,3)9-8-20(31)25(19,4)13-29/h5-7,10,14,17,19-20,29-31H,8-9,11-13H2,1-4H3,(H,26,32)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@@H]3C=CC[C@@H]3[C@H](N2)C4=CC=C(C=C4)[N+](=O)[O-])C
InChI: InChI=1S/C20H20N2O2/c1-12-6-11-18-16-4-3-5-17(16)20(21-19(18)13(12)2)14-7-9-15(10-8-14)22(23)24/h3-4,6-11,16-17,20-21H,5H2,1-2H3/t16-,17+,20-/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@@]3([NH2+]1)C4=C(C=CC(=C4)F)NC3=O)O
InChI: InChI=1S/C18H20FN3O5/c1-8(23)14-12-13(16(25)22(15(12)24)5-6-27-2)18(21-14)10-7-9(19)3-4-11(10)20-17(18)26/h3-4,7-8,12-14,21,23H,5-6H2,1-2H3,(H,20,26)/p+1/t8-,12+,13+,14-,18+/m1/s1
SMILES: C/C=C(\C)/C(C(C)/C=C/C=C/C/C(=C/CC1=C(C(=C(C(=N1)OC)OC)OC2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)/C)O
InChI: InChI=1S/C30H45NO8/c1-9-18(3)23(32)19(4)14-12-10-11-13-17(2)15-16-22-20(5)27(28(36-7)29(31-22)37-8)39-30-26(35)25(34)24(33)21(6)38-30/h9-12,14-15,19,21,23-26,30,32-35H,13,16H2,1-8H3/b11-10+,14-12+,17-15+,18-9+/t19?,21-,23?,24-,25+,26+,30?/m0/s1
SMILES: CC1=CC(=CC=C1)CC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O
InChI: InChI=1S/C24H34O5/c1-17-7-6-8-18(15-17)11-12-19(25)13-14-21-20(22(26)16-23(21)27)9-4-2-3-5-10-24(28)29/h2,4,6-8,13-15,19-23,25-27H,3,5,9-12,16H2,1H3,(H,28,29)/b4-2-,14-13+/t19-,20+,21+,22-,23+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C(C)(C)C
InChI: InChI=1S/C30H31NO6/c1-15-12-23(33)25-18(8-6-16-7-11-22(32)24(13-16)37-5)17-9-10-19-26(20(17)14-21(25)27(15)34)29(36)31(28(19)35)30(2,3)4/h6-9,11-13,18-20,26,32H,10,14H2,1-5H3/t18-,19-,20+,26-/m0/s1
SMILES: CC1([C@H]([C@H]2CC[C@]3(C2)[C@H]1C(=O)C(C3)[Se]C4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C26H30O2Se/c1-25(2)23-22(27)21(29-20-11-7-4-8-12-20)16-26(23)14-13-19(15-26)24(25)28-17-18-9-5-3-6-10-18/h3-12,19,21,23-24H,13-17H2,1-2H3/t19-,21?,23-,24-,26+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/O)/[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C30H54N2O10/c1-12-21-30(8,37)25(35)17(4)22(31-38)15(2)14-29(7,39-11)26(18(5)23(33)19(6)27(36)41-21)42-28-24(34)20(32(9)10)13-16(3)40-28/h15-21,24-26,28,34-35,37-38H,12-14H2,1-11H3/b31-22+/t15-,16-,17+,18+,19-,20+,21-,24-,25-,26-,28+,29-,30-/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)OC(F)(F)F)O)Br)C
InChI: InChI=1S/C12H12BrF3O3/c1-11(2)10(13)9(17)7-5-6(18-12(14,15)16)3-4-8(7)19-11/h3-5,9-10,17H,1-2H3/t9-,10+/m1/s1
SMILES: [C@@H]1([C@@H]([C@H](OC([C@@H]1O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)C(=O)O)O)O
InChI: InChI=1S/C12H9Cl5O7/c13-1-2(14)4(16)9(5(17)3(1)15)23-12-8(20)6(18)7(19)10(24-12)11(21)22/h6-8,10,12,18-20H,(H,21,22)/t6-,7-,8+,10-,12?/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C19H24N2O3/c1-12-6-5-9-16(13(12)2)20-17(22)10-11-21-18(23)14-7-3-4-8-15(14)19(21)24/h5-6,9,14-15H,3-4,7-8,10-11H2,1-2H3,(H,20,22)/t14-,15-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C44H47N3O15S/c48-35-21-22-47(43(51)45-35)41-37(50)36(49)33(60-41)28-59-63(53,54)46-44(52)62-42-40(58-26-32-19-11-4-12-20-32)39(57-25-31-17-9-3-10-18-31)38(56-24-30-15-7-2-8-16-30)34(61-42)27-55-23-29-13-5-1-6-14-29/h1-22,33-34,36-42,49-50H,23-28H2,(H,46,52)(H,45,48,51)/t33-,34-,36-,37-,38-,39+,40-,41-,42-/m1/s1
SMILES: CCO[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]5[C@@H]4[C@@H]([C@]6(O5)CC[C@H](CO6)C)C)C)C
InChI: InChI=1S/C29H48O3/c1-6-30-21-10-12-27(4)20(15-21)7-8-22-23(27)11-13-28(5)24(22)16-25-26(28)19(3)29(32-25)14-9-18(2)17-31-29/h18-26H,6-17H2,1-5H3/t18-,19+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
SMILES: CC1(C[C@H](C(=O)[C@@]2(CC[C@@H](C2(C)C)[C@H]([C@H]1OCOCC3=CC=CC=C3)OCOC)OCOCC4=CC=C(C=C4)OC)O)C
InChI: InChI=1S/C34H48O9/c1-32(2)18-28(35)30(36)34(43-23-40-20-25-12-14-26(38-6)15-13-25)17-16-27(33(34,3)4)29(41-21-37-5)31(32)42-22-39-19-24-10-8-7-9-11-24/h7-15,27-29,31,35H,16-23H2,1-6H3/t27-,28-,29-,31-,34-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COC(=O)CCCCCCCCCCCCC(=O)O)O
InChI: InChI=1S/C23H37N3O7/c24-19-13-14-26(23(31)25-19)20-15-17(27)18(33-20)16-32-22(30)12-10-8-6-4-2-1-3-5-7-9-11-21(28)29/h13-14,17-18,20,27H,1-12,15-16H2,(H,28,29)(H2,24,25,31)/t17-,18+,20+/m0/s1
SMILES: CN1C2=C([C@H]([C@H]3C(=N2)C4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)O)C(=O)N(C1=O)C
InChI: InChI=1S/C22H17N3O5/c1-24-20-17(21(29)25(2)22(24)30)15(10-7-8-13(26)14(27)9-10)16-18(23-20)11-5-3-4-6-12(11)19(16)28/h3-9,15-16,26-27H,1-2H3/t15-,16-/m0/s1
SMILES: C1CS[C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8
InChI: InChI=1S/C54H58O8S/c1-7-19-41(20-8-1)33-55-39-48-51(58-36-44-25-13-4-14-26-44)52(59-37-45-27-15-5-16-28-45)53(60-38-46-29-17-6-18-30-46)54(61-48)62-50-47(57-35-43-23-11-3-12-24-43)31-32-63-49(50)40-56-34-42-21-9-2-10-22-42/h1-30,47-54H,31-40H2/t47-,48-,49+,50+,51-,52+,53-,54-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N3C=NC=N3)OC(=O)C
InChI: InChI=1S/C15H17N5O6/c1-9(21)24-6-12-11(25-10(2)22)5-14(26-12)19-4-3-13(18-15(19)23)20-8-16-7-17-20/h3-4,7-8,11-12,14H,5-6H2,1-2H3/t11-,12+,14+/m0/s1
SMILES: CC1=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)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)I)O
InChI: InChI=1S/C39H30ClFIN3O5/c1-20-18-21(2-17-32(20)46)34-28-15-16-29-33(37(49)44(35(29)47)27-13-9-25(42)10-14-27)30(28)19-31-36(48)45(43-26-11-7-24(41)8-12-26)38(50)39(31,34)22-3-5-23(40)6-4-22/h2-15,17-18,29-31,33-34,43,46H,16,19H2,1H3/t29-,30+,31-,33-,34-,39+/m0/s1
SMILES: COC(=O)[C@H](C1C=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[C@]4(C[C@H]4C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C33H30O4/c1-36-31(34)30(26-12-6-3-4-7-13-26)27-16-14-23(15-17-27)24-18-20-28(21-19-24)33(32(35)37-2)22-29(33)25-10-8-5-9-11-25/h3-21,26,29-30H,22H2,1-2H3/t29-,30+,33-/m0/s1
SMILES: CCCCCCCCCCCCCCNC(=O)OCC1=C(C(=C(C=C1)C)COC(=O)NCC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C52H64N2O15/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-53-51(63)65-29-33-17-15-31(2)40(48(33)69-50-47(60)46(59)45(58)43(28-55)68-50)30-66-52(64)54-27-32-16-20-36(39(24-32)49(61)62)44-37-21-18-34(56)25-41(37)67-42-26-35(57)19-22-38(42)44/h15-22,24-26,43,45-47,50,55-56,58-60H,3-14,23,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,61,62)/t43-,45+,46+,47-,50+/m1/s1
SMILES: CCCCCC([C@@H](/C=C/[C@H]1CC[C@@H]([C@@H]1C/C=C/CCCC(=O)OC(C)C)O)O)F
InChI: InChI=1S/C24H41FO4/c1-4-5-8-12-21(25)23(27)17-15-19-14-16-22(26)20(19)11-9-6-7-10-13-24(28)29-18(2)3/h6,9,15,17-23,26-27H,4-5,7-8,10-14,16H2,1-3H3/b9-6+,17-15+/t19-,20-,21?,22+,23-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC=C(S2)C
InChI: InChI=1S/C18H26N2O4S/c1-11-5-4-6-14(13(11)3)20-16(21)10-24-17(22)9-19-18(23)15-8-7-12(2)25-15/h7-8,11,13-14H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,21)/t11-,13+,14+/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C5CCCC5=O
InChI: InChI=1S/C28H40O4/c1-16(29)26-22(20-6-5-7-25(20)31)15-24-21-9-8-18-14-19(32-17(2)30)10-12-27(18,3)23(21)11-13-28(24,26)4/h8,19-24,26H,5-7,9-15H2,1-4H3/t19-,20?,21+,22-,23-,24-,26-,27-,28-/m0/s1