EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@@H]2C[C@@H](O[C@H]3[C@@]2([C@H]([C@@H]([C@H]1OC)O)[C@@]4([C@@H](C3)CC=C(C4=O)OC)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C27H42O11/c1-11-13-9-17(38-25-20(31)19(30)18(29)15(10-28)36-25)37-16-8-12-6-7-14(34-4)24(33)26(12,2)23(27(13,16)3)21(32)22(11)35-5/h7,11-13,15-23,25,28-32H,6,8-10H2,1-5H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-,22+,23-,25+,26+,27-/m1/s1
SMILES: C[C@H](CCC(C=C)(C(C)C)OO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C29H46O3/c1-7-29(32-31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,18-20,23-26,31H,1,8-17H2,2-6H3/t20-,23+,24-,25+,26+,27+,28-,29?/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=C4CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CCC[C@H]6C(=O)OC(C)(C)C
InChI: InChI=1S/C42H50F3N3O7/c1-26-35(24-47-21-7-12-34(47)38(51)55-41(2,3)4)53-39(54-36(26)29-15-13-27(25-49)14-16-29)30-19-17-28(18-20-30)32-10-6-5-9-31(32)23-46-37(50)33-11-8-22-48(33)40(52)42(43,44)45/h5-6,9-10,13-20,26,33-36,39,49H,7-8,11-12,21-25H2,1-4H3,(H,46,50)/t26-,33-,34-,35+,36+,39+/m0/s1
SMILES: C/C=C/COC(=O)[C@@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)C
InChI: InChI=1S/C17H20N2O3/c1-4-5-10-22-16(20)14-12(3)18-17(21)19-15(14)13-8-6-11(2)7-9-13/h4-9,14-15H,3,10H2,1-2H3,(H2,18,19,21)/b5-4+/t14-,15-/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H17NO4/c1-9(19)10-3-2-4-13(8-10)18-16(20)14-11-5-6-12(7-11)15(14)17(21)22/h2-6,8,11-12,14-15H,7H2,1H3,(H,18,20)(H,21,22)/t11-,12+,14-,15+/m1/s1
SMILES: C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C18H25N5O12/c19-22-21-6-1-2-7(8(3-6)23(31)32)20-17-14(29)13(28)16(10(5-25)33-17)35-18-15(30)12(27)11(26)9(4-24)34-18/h1-3,9-18,20,24-30H,4-5H2/t9-,10-,11-,12+,13-,14-,15-,16-,17?,18-/m1/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/C=C/Br)C(=O)N
InChI: InChI=1S/C11H14BrN3O5/c12-2-1-5-7(10(13)19)14-4-15(5)11-9(18)8(17)6(3-16)20-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,13,19)/b2-1+/t6-,8-,9-,11-/m1/s1
SMILES: CCOC(/C=C/C(=C/C=C/C(=C\1/C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H]([C@]3(C)C(=O)O)O)C)C)/C)/C)C(C)(C)O
InChI: InChI=1S/C32H48O6/c1-9-38-26(29(4,5)37)14-13-20(2)11-10-12-21(3)27-22(33)19-24-30(6)18-16-25(34)32(8,28(35)36)23(30)15-17-31(24,27)7/h10-14,23-26,34,37H,9,15-19H2,1-8H3,(H,35,36)/b12-10+,14-13+,20-11+,27-21-/t23-,24+,25-,26?,30+,31+,32-/m1/s1
SMILES: CCC(C)NC(=O)O[C@@H]([C@@H](C)/C=C\C=C)[C@@H](C)[C@@H]([C@@H](C)C/C(=C\[C@H](C)[C@H](C(C)/C=C\[C@H](CC1[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)O)/C)O
InChI: InChI=1S/C37H63NO8/c1-12-14-15-23(5)35(46-37(44)38-26(8)13-2)28(10)33(41)25(7)19-21(3)18-24(6)32(40)22(4)16-17-30(39)20-31-27(9)34(42)29(11)36(43)45-31/h12,14-18,22-35,39-42H,1,13,19-20H2,2-11H3,(H,38,44)/b15-14-,17-16-,21-18-/t22?,23-,24-,25-,26?,27-,28-,29+,30+,31?,32-,33+,34-,35-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H]2[C@@H]3C[C@@H]3[C@H](O2)OC
InChI: InChI=1S/C19H27NO4/c1-19(2,3)24-18(21)20-15(10-12-8-6-5-7-9-12)16-13-11-14(13)17(22-4)23-16/h5-9,13-17H,10-11H2,1-4H3,(H,20,21)/t13-,14+,15+,16+,17+/m1/s1
SMILES: CC1=C(N=NC2=C1[C@]3(CC[C@H]4[C@@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)CC[C@@H](C)CNC(=O)C
InChI: InChI=1S/C31H45N3O3/c1-18(17-32-20(3)35)7-10-27-19(2)29-28(34-33-27)16-26-24-9-8-22-15-23(37-21(4)36)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18,23-26H,7,9-17H2,1-6H3,(H,32,35)/t18-,23+,24+,25+,26+,30+,31+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@](C=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)(COCC5=CC=CC=C5)O
InChI: InChI=1S/C39H66O4Si2/c1-35(2,3)44(9,10)42-30-20-22-37(7)29(24-30)25-39(40,27-41-26-28-16-14-13-15-17-28)34-31-18-19-33(38(31,8)23-21-32(34)37)43-45(11,12)36(4,5)6/h13-17,25,30-34,40H,18-24,26-27H2,1-12H3/t30-,31-,32-,33-,34-,37-,38-,39+/m0/s1
SMILES: C1=CC=C2C(=C1)[C@@H]3C=C[C@]2([C@@H]4C=C[C@H]3O4)C#N
InChI: InChI=1S/C15H11NO/c16-9-15-8-7-11(13-5-6-14(15)17-13)10-3-1-2-4-12(10)15/h1-8,11,13-14H/t11-,13+,14-,15-/m0/s1
SMILES: CC[C@@H]1[C@H]([C@@H](N=CC2=CC=CC=C12)C3=CC=CC=C3)C
InChI: InChI=1S/C19H21N/c1-3-17-14(2)19(15-9-5-4-6-10-15)20-13-16-11-7-8-12-18(16)17/h4-14,17,19H,3H2,1-2H3/t14-,17-,19-/m1/s1
SMILES: CN1[C@@H]2[C@@H](C(=[N+](C)C)N[C@H]2NC3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H21N5O2/c1-22(2)19-16(12-8-10-13(11-9-12)24(25)26)17-18(21-19)20-14-6-4-5-7-15(14)23(17)3/h4-11,16-18,20H,1-3H3/p+1/t16-,17+,18+/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(C#C)O)C)O
InChI: InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15+,16-,17-,18+,19-,20+,21-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CCC4=CC5=CC=CC=C5N4)C(=O)CCC=C)C(=O)NCCO)C=O
InChI: InChI=1S/C32H35N3O7/c1-3-4-9-27(38)35(12-10-21-16-20-7-5-6-8-24(20)34-21)25-17-23(32(40)33-11-13-36)28-22-14-19(18-37)15-26(41-2)30(22)42-31(28)29(25)39/h3,5-8,14-18,25,28-29,31,34,36,39H,1,4,9-13H2,2H3,(H,33,40)/t25-,28+,29+,31+/m1/s1
SMILES: C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C=O
InChI: InChI=1S/C26H38N2O2/c29-19-21-17-26(30)13-8-4-1-2-5-9-14-27-16-12-23(21)25(20-27)18-22-11-7-3-6-10-15-28(22)24(25)26/h1,4,7,11,17,19,22-24,30H,2-3,5-6,8-10,12-16,18,20H2/b4-1-,11-7-/t22-,23-,24+,25-,26-/m0/s1
SMILES: C[C@H]1CN([C@H]([C@@H]1S(=O)(=O)C2=CC=CC=C2)C)CC3=CC=CC=C3
InChI: InChI=1S/C19H23NO2S/c1-15-13-20(14-17-9-5-3-6-10-17)16(2)19(15)23(21,22)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16-,19+/m0/s1
SMILES: CC1CC(OC1(C)C)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(C(C(=O)[C@H]4[C@H]3CC=C5[C@@]4(C(CC(C5)O)O)C)OC(=O)C)C
InChI: InChI=1S/C30H46O6/c1-15-12-23(36-28(15,4)5)16(2)21-10-11-22-20-9-8-18-13-19(32)14-24(33)29(18,6)25(20)26(34)27(30(21,22)7)35-17(3)31/h8,15-16,19-25,27,32-33H,9-14H2,1-7H3/t15?,16-,19?,20-,21+,22-,23?,24?,25+,27?,29+,30+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]1[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)N3C=C(C(=O)NC3=O)CO)OC(=O)C
InChI: InChI=1S/C24H27N3O12/c1-12(29)37-18-17(16(22(32)35-3)25-24(34)36-11-14-7-5-4-6-8-14)39-21(19(18)38-13(2)30)27-9-15(10-28)20(31)26-23(27)33/h4-9,16-19,21,28H,10-11H2,1-3H3,(H,25,34)(H,26,31,33)/t16-,17+,18+,19+,21+/m0/s1
SMILES: C1CN(CCN1C[C@H]2C[C@@H]2C3=CC=CC=C3)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C20H22Cl2N2/c21-18-7-4-8-19(20(18)22)24-11-9-23(10-12-24)14-16-13-17(16)15-5-2-1-3-6-15/h1-8,16-17H,9-14H2/t16-,17-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H16N4O5/c23-17-13-3-1-2-4-14(13)18(24)21(17)10-9-15-19-16(20-27-15)11-5-7-12(8-6-11)22(25)26/h1-2,5-8,13-14H,3-4,9-10H2/t13-,14-/m0/s1
SMILES: CCCN1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=CS3
InChI: InChI=1S/C19H19N5S/c1-2-6-24-7-5-13-14(9-20)18(23)19(11-21,12-22)17(15(13)10-24)16-4-3-8-25-16/h3-5,8,14-15,17,23H,2,6-7,10H2,1H3/t14?,15-,17+/m0/s1
SMILES: COC(=O)[C@H]1[C@@H](OC2(O1)CCCC3=CC=CC=C23)C(=O)OC
InChI: InChI=1S/C16H18O6/c1-19-14(17)12-13(15(18)20-2)22-16(21-12)9-5-7-10-6-3-4-8-11(10)16/h3-4,6,8,12-13H,5,7,9H2,1-2H3/t12-,13-/m1/s1
SMILES: CCOC(=O)C1=CC=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C21H19Cl2NO2/c1-2-26-21(25)16-8-4-7-15-13-5-3-6-14(13)19(24-20(15)16)12-9-10-17(22)18(23)11-12/h3-5,7-11,13-14,19,24H,2,6H2,1H3/t13-,14-,19+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=CC4=CC=NC=C4)[C@@H]2O)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C24H27NO2/c1-24-9-6-20-19-5-3-18(26)13-16(19)2-4-21(20)22(24)14-17(23(24)27)12-15-7-10-25-11-8-15/h3,5,7-8,10-13,20-23,26-27H,2,4,6,9,14H2,1H3/t20-,21-,22+,23+,24+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O[P@](=S)(C)OCCC#N
InChI: InChI=1S/C41H41N4O8PS/c1-48-33-19-15-31(16-20-33)41(30-13-8-5-9-14-30,32-17-21-34(49-2)22-18-32)50-28-36-35(53-54(3,55)51-26-10-24-42)27-38(52-36)45-25-23-37(44-40(45)47)43-39(46)29-11-6-4-7-12-29/h4-9,11-23,25,35-36,38H,10,26-28H2,1-3H3,(H,43,44,46,47)/t35-,36+,38+,54-/m0/s1
SMILES: C/C=C\1/[C@@H]([C@]1(C2=CC=CC=C2)C(=O)N[C@@H](C)C3=CC=CC=C3)C
InChI: InChI=1S/C21H23NO/c1-4-19-15(2)21(19,18-13-9-6-10-14-18)20(23)22-16(3)17-11-7-5-8-12-17/h4-16H,1-3H3,(H,22,23)/b19-4-/t15-,16-,21+/m0/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)C2=CN(C(=O)N(C2=O)COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C52H69N4O13P/c1-34(2)56(35(3)4)70(67-29-17-28-53)69-44-42(31-66-52(36-18-15-14-16-19-36,37-20-24-39(61-11)25-21-37)38-22-26-40(62-12)27-23-38)68-43(45(44)63-13)41-30-54(32-64-47(58)50(5,6)7)49(60)55(46(41)57)33-65-48(59)51(8,9)10/h14-16,18-27,30,34-35,42-45H,17,29,31-33H2,1-13H3/t42-,43+,44-,45+,70?/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)N[C@H]2[C@@](N=C(S2)N)(C3=CC=CC=C3)O
InChI: InChI=1S/C16H15N3O2S/c17-15-19-16(21,12-9-5-2-6-10-12)14(22-15)18-13(20)11-7-3-1-4-8-11/h1-10,14,21H,(H2,17,19)(H,18,20)/t14-,16-/m1/s1
SMILES: CCCCCC(=O)CC(=O)OC[C@]12[C@H]([C@H](CO1)O)OC(O2)(C)C
InChI: InChI=1S/C16H26O7/c1-4-5-6-7-11(17)8-13(19)20-10-16-14(12(18)9-21-16)22-15(2,3)23-16/h12,14,18H,4-10H2,1-3H3/t12-,14-,16-/m0/s1
SMILES: CC(=O)N1[C@@H]([C@@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H19FN2O2/c1-12(24)23-20(13-3-6-15(21)7-4-13)18-9-5-14-11-16(25-2)8-10-17(14)19(18)22-23/h3-4,6-8,10-11,18,20H,5,9H2,1-2H3/t18-,20-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5C(=O)[O-]
InChI: InChI=1S/C21H19N5O5/c27-20(13-8-4-5-9-14(13)21(28)29)22-15-10-30-18-16(11-31-17(15)18)26-19(23-24-25-26)12-6-2-1-3-7-12/h1-9,15-18H,10-11H2,(H,22,27)(H,28,29)/p-1/t15-,16-,17+,18+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H23NO9/c1-7(17)16-12-14(24-10(4)20)13(23-9(3)19)11(6-22-8(2)18)25-15(12)21-5/h11-15H,6H2,1-5H3,(H,16,17)/t11-,12+,13-,14-,15+/m1/s1
SMILES: C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@@H]4CC[C@@H]6[C@@]5(CCC(=O)C6)C)C)C)OC1
InChI: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3/t16-,17+,18+,20+,21+,22+,23+,24+,25+,26+,27?/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H](/C(=C\[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(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)C/C=C/C3=CC=CC=C3)(C)O
InChI: InChI=1S/C39H61NO8/c1-12-32-39(8,44)30(20-16-19-29-17-14-13-15-18-29)25(3)21-24(2)23-38(7,45-11)35(27(5)33(41)28(6)36(43)47-32)48-37-34(42)31(40(9)10)22-26(4)46-37/h13-19,21,24,26-28,30-32,34-35,37,42,44H,12,20,22-23H2,1-11H3/b19-16+,25-21-/t24-,26+,27-,28?,30+,31-,32+,34+,35+,37-,38+,39-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CO4)O
InChI: InChI=1S/C22H27NO5/c1-26-15-8-9-18(27-2)16(14-15)20-17-6-3-4-10-22(17,25)11-12-23(20)21(24)19-7-5-13-28-19/h5,7-9,13-14,17,20,25H,3-4,6,10-12H2,1-2H3/t17-,20-,22-/m0/s1
SMILES: C[C@H]([C@H]1C[C@@H]2CC[C@H]1C2)NC(=O)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C18H26N2O/c1-12(17-11-13-4-5-15(17)10-13)19-18(21)14-6-8-16(9-7-14)20(2)3/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,19,21)/t12-,13-,15+,17-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CF)O)C)O
InChI: InChI=1S/C21H29FO4/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)CCOCCOCCO
InChI: InChI=1S/C36H46N4O8/c1-5-47-36-28(14-17-45-19-20-46-18-16-41)30(33-24(2)39(3)40(35(33)43)26-9-7-6-8-10-26)22-32(48-36)34(42)37-15-13-25-23-38-31-12-11-27(44-4)21-29(25)31/h6-12,21-23,28,30,36,38,41H,5,13-20H2,1-4H3,(H,37,42)/t28-,30+,36-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)N(C1=O)C(=O)C6CC6
InChI: InChI=1S/C28H34N4O5S/c1-17-25-22(32(26(17)33)27(34)18-12-13-18)14-16-30(25)28(35)23-10-6-15-31(23)38(36,37)24-11-5-7-19-20(24)8-4-9-21(19)29(2)3/h4-5,7-9,11,17-18,22-23,25H,6,10,12-16H2,1-3H3/t17-,22-,23+,25+/m0/s1
SMILES: CC(CCCC(C(C)(C)O)(F)F)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C28H44F2O3/c1-18(8-6-15-28(29,30)26(3,4)33)23-12-13-24-20(9-7-14-27(23,24)5)10-11-21-16-22(31)17-25(32)19(21)2/h10-11,18,22-25,31-33H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18?,22-,23?,24+,25+,27-/m1/s1
SMILES: C[C@@]1(O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)[C@@H](COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C(=O)OC
InChI: InChI=1S/C43H38O10/c1-42(41(46)47-2)52-37-36(50-39(45)30-20-10-4-11-21-30)35(51-40(37)53-42)34(49-38(44)29-18-8-3-9-19-29)28-48-43(31-22-12-5-13-23-31,32-24-14-6-15-25-32)33-26-16-7-17-27-33/h3-27,34-37,40H,28H2,1-2H3/t34-,35+,36+,37-,40-,42+/m1/s1
SMILES: CC1([C@@H]([C@H](C2=CC(=C(C=C2O1)NC)OC)NCCC3=CC=CC=C3)O)C.Cl
InChI: InChI=1S/C21H28N2O3.ClH/c1-21(2)20(24)19(23-11-10-14-8-6-5-7-9-14)15-12-18(25-4)16(22-3)13-17(15)26-21;/h5-9,12-13,19-20,22-24H,10-11H2,1-4H3;1H/t19-,20+;/m0./s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H]2C[C@H]1[C@@H](C2)O
InChI: InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-9-11-6-10-7-12(11)13(15)8-10/h10-13,15H,6-9H2,1-5H3/t10-,11+,12-,13-/m1/s1
SMILES: C[C@H](C#CC1=CC=CC=C1C(C)(C)O[Si](C)(C)C)[C@H]2CCC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C48H80O3Si3/c1-35(28-29-37-23-19-20-25-42(37)47(9,10)51-52(12,13)14)41-26-21-27-43-38(24-22-32-48(41,43)11)30-31-39-33-40(49-53(15,16)45(3,4)5)34-44(36(39)2)50-54(17,18)46(6,7)8/h19-20,23,25,30-31,35,40-41,43-44H,2,21-22,24,26-27,32-34H2,1,3-18H3/b38-30+,39-31-/t35-,40-,41-,43+,44+,48-/m1/s1
SMILES: CC(=O)NC[C@@H]1C[C@H]1C2=C3C[C@H](OC3=CC=C2)CCCCC4=CC=CC=C4
InChI: InChI=1S/C24H29NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,19-20,22H,5-6,10-11,14-16H2,1H3,(H,25,26)/t19-,20+,22+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)(C[C@H]([C@@H](C3(C)C)OC=O)O)C
InChI: InChI=1S/C32H50O5/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)20(21(32)17-27)9-10-24-29(5)18-22(34)25(37-19-33)28(3,4)23(29)11-12-31(24,30)7/h9,19,21-25,34H,10-18H2,1-8H3/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC
InChI: InChI=1S/C21H21NO5/c1-11-8-14(11)21(24)26-12(2)20(23)22-16-10-18-15(9-19(16)25-3)13-6-4-5-7-17(13)27-18/h4-7,9-12,14H,8H2,1-3H3,(H,22,23)/t11-,12-,14+/m0/s1
SMILES: COC1=CC(=CC(=C1O)[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(=CC=C6)[N+](=O)[O-])C(=O)N(C3=O)C7=CC(=CC=C7)[N+](=O)[O-])Br
InChI: InChI=1S/C33H25BrN4O10/c1-48-25-11-15(34)10-23(29(25)39)26-20-8-9-21-27(32(42)35(30(21)40)16-4-2-6-18(12-16)37(44)45)22(20)14-24-28(26)33(43)36(31(24)41)17-5-3-7-19(13-17)38(46)47/h2-8,10-13,21-22,24,26-28,39H,9,14H2,1H3/t21-,22+,24+,26+,27-,28+/m0/s1
SMILES: CCCCCCCCC(/C=C/C=C/[C@@H]1CC=CC[C@H]1C(CCCC(=O)OC)O)O
InChI: InChI=1S/C25H42O4/c1-3-4-5-6-7-8-16-22(26)17-11-9-14-21-15-10-12-18-23(21)24(27)19-13-20-25(28)29-2/h9-12,14,17,21-24,26-27H,3-8,13,15-16,18-20H2,1-2H3/b14-9+,17-11+/t21-,22?,23-,24?/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H]3[C@@H](C(=O)NC3=O)SC4=C2SC(=O)N4)OC
InChI: InChI=1S/C16H14N2O5S2/c1-22-7-4-3-6(5-8(7)23-2)9-10-11(14(20)17-13(10)19)24-15-12(9)25-16(21)18-15/h3-5,9-11H,1-2H3,(H,18,21)(H,17,19,20)/t9-,10+,11-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C24H24N2O4S/c1-16-7-5-6-10-20(16)26(24-25-15-21(31-24)23(28)29)22(27)17-11-13-19(14-12-17)30-18-8-3-2-4-9-18/h2-4,8-9,11-16,20H,5-7,10H2,1H3,(H,28,29)/t16-,20+/m1/s1
SMILES: CCOC1=C(C(=CC(=C1)[C@@H]2[C@H]3C(=NC4=C2C(=O)CCC4)CCCC3=O)Br)OCC#C
InChI: InChI=1S/C24H24BrNO4/c1-3-11-30-24-15(25)12-14(13-20(24)29-4-2)21-22-16(7-5-9-18(22)27)26-17-8-6-10-19(28)23(17)21/h1,12-13,21-22H,4-11H2,2H3/t21-,22+/m1/s1
SMILES: COC1=CC(=C(C=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(=O)O)C(=O)N(C3=O)C7=CC=C(C=C7)C(=O)O)O
InChI: InChI=1S/C35H28N2O10/c1-47-20-10-11-22(26(38)14-20)27-21-12-13-23-28(32(41)36(30(23)39)18-6-2-16(3-7-18)34(43)44)24(21)15-25-29(27)33(42)37(31(25)40)19-8-4-17(5-9-19)35(45)46/h2-12,14,23-25,27-29,38H,13,15H2,1H3,(H,43,44)(H,45,46)/t23-,24+,25+,27+,28-,29+/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)O)CO)(C)C)OC(=O)/C(=C\C)/C
InChI: InChI=1S/C40H62O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12-14,25-32,41-44H,15-21H2,1-11H3/b22-12-,23-13+/t25-,26-,27+,28-,29-,30+,31-,32-,37-,38+,39-,40-/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H](C=C1C(=O)N[C@H](CC(=O)O)C(=O)N)NC(=O)NC2=CC(=CC=C2)F)O)O
InChI: InChI=1S/C18H21FN4O7/c19-9-2-1-3-10(6-9)21-18(30)23-11-4-8(5-13(24)15(11)27)17(29)22-12(16(20)28)7-14(25)26/h1-4,6,11-13,15,24,27H,5,7H2,(H2,20,28)(H,22,29)(H,25,26)(H2,21,23,30)/t11-,12-,13-,15-/m1/s1
SMILES: CC(C)CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C18H24N2O5S2/c1-11(2)7-17(21)19-18-20(14-9-27(22,23)10-16(14)26-18)13-8-12(24-3)5-6-15(13)25-4/h5-6,8,11,14,16H,7,9-10H2,1-4H3/t14-,16-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H27NO4/c1-16-9-8-14-21(17(16)2)25-22(26)15-29-24(28)20-13-7-6-12-19(20)23(27)18-10-4-3-5-11-18/h3-7,10-13,16-17,21H,8-9,14-15H2,1-2H3,(H,25,26)/t16-,17-,21+/m1/s1
SMILES: C[C@@H]1[C@@H](N(C(=O)N1C)C(=O)CC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3
InChI: InChI=1S/C22H24N2O5/c1-14-21(15-8-6-5-7-9-15)24(22(27)23(14)2)20(26)13-17(25)16-10-11-18(28-3)19(12-16)29-4/h5-12,14,21H,13H2,1-4H3/t14-,21-/m1/s1
SMILES: CCCCC[C@@H]([C@H]1[C@H]2C=CC[C@@H](N2C(=O)O1)CC(=O)N(CCCCO)CC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C33H44N2O5/c1-2-3-6-20-30(39-25-27-16-9-5-10-17-27)32-29-19-13-18-28(35(29)33(38)40-32)23-31(37)34(21-11-12-22-36)24-26-14-7-4-8-15-26/h4-5,7-10,13-17,19,28-30,32,36H,2-3,6,11-12,18,20-25H2,1H3/t28-,29-,30+,32-/m1/s1
SMILES: CCCCCC(=O)/C=C/[C@@H]1[C@@H]2C[C@]([C@H]1C/C=C\CCCC(=O)OC)(CO2)C3=CC=CC=C3
InChI: InChI=1S/C28H38O4/c1-3-4-8-15-23(29)18-19-24-25(16-11-5-6-12-17-27(30)31-2)28(20-26(24)32-21-28)22-13-9-7-10-14-22/h5,7,9-11,13-14,18-19,24-26H,3-4,6,8,12,15-17,20-21H2,1-2H3/b11-5-,19-18+/t24-,25-,26-,28-/m0/s1
SMILES: COCC1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCC4CCCCC4
InChI: InChI=1S/C17H28N4O3/c1-22-9-13-8-21(20-19-13)15-11-24-16-14(10-23-17(15)16)18-7-12-5-3-2-4-6-12/h8,12,14-18H,2-7,9-11H2,1H3/t14-,15-,16+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC=CC3=O)OC(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C26H25NO6/c1-17-6-10-19(11-7-17)25(29)31-16-22-21(33-26(30)20-12-8-18(2)9-13-20)15-24(32-22)27-14-4-3-5-23(27)28/h3-14,21-22,24H,15-16H2,1-2H3/t21-,22+,24+/m0/s1
SMILES: CCN1[C@@H]([C@@H](CC1=O)C(=O)O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C15H19NO5/c1-4-16-13(17)8-11(15(18)19)14(16)10-6-5-9(20-2)7-12(10)21-3/h5-7,11,14H,4,8H2,1-3H3,(H,18,19)/t11-,14-/m1/s1
SMILES: C=CC1=CC[C@]2(C(=O)N(C(=O)[C@]2([C@H]1C3=CC=C(C=C3)O)Cl)CBr)Cl
InChI: InChI=1S/C17H14BrCl2NO3/c1-2-10-7-8-16(19)14(23)21(9-18)15(24)17(16,20)13(10)11-3-5-12(22)6-4-11/h2-7,13,22H,1,8-9H2/t13-,16-,17+/m1/s1
SMILES: CC[C@@H]\1[C@H](/C/2=C/C3=C(C(=C(N3)/C=C\4/[C@H]([C@@H](C(N4)C5=C6C(=C([C@@H]5C(=O)OC)O)C(=C(N6)/C=C1\N2)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
InChI: InChI=1S/C55H80N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51-52,56-59,62H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,45-28-/t31-,32-,34-,35+,39-,40+,51-,52?/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C20H24N2O5/c1-12-6-5-9-16(13(12)2)21-17(23)11-27-18(24)10-22-19(25)14-7-3-4-8-15(14)20(22)26/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3,(H,21,23)/t12-,13-,16+/m1/s1
SMILES: CC[C@](CCC(=O)OC)(CC(=O)OC)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C
InChI: InChI=1S/C27H40O6/c1-7-27(18-24(29)32-6,16-15-23(28)31-5)25(30)33-22-17-19(2)13-14-21(22)26(3,4)20-11-9-8-10-12-20/h8-12,19,21-22H,7,13-18H2,1-6H3/t19-,21-,22-,27+/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]2[C@@H]3[C@H]1[C@]2([C@@H]([C@H]4[C@H](C3(C)C)OC(O4)(C)C)OS(=O)(=O)C)C
InChI: InChI=1S/C19H30O6S/c1-9-8-10(20)12-13-11(9)19(12,6)16(25-26(7,21)22)14-15(17(13,2)3)24-18(4,5)23-14/h9,11-16H,8H2,1-7H3/t9-,11+,12-,13+,14-,15-,16-,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCCOC3=CC=CC=C3C
InChI: InChI=1S/C20H26N2O5/c1-14-7-3-4-9-16(14)26-11-12-27-17(23)13-22-18(24)20(21-19(22)25)10-6-5-8-15(20)2/h3-4,7,9,15H,5-6,8,10-13H2,1-2H3,(H,21,25)/t15-,20-/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3Cl)Cl)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C22H17Cl2N/c23-14-11-19-16-8-4-10-18(16)21(25-22(19)20(24)12-14)17-9-3-6-13-5-1-2-7-15(13)17/h1-9,11-12,16,18,21,25H,10H2/t16-,18-,21+/m1/s1
SMILES: C[C@H]1CC[C@@H](OC1[C@@H](C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)C4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC
InChI: InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32?,33?,34-,35+,37-,38-,39-,40+/m0/s1
SMILES: CC#[N+][C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[Br-]
InChI: InChI=1S/C36H38NO5.BrH/c1-2-37-36-35(41-26-31-21-13-6-14-22-31)34(40-25-30-19-11-5-12-20-30)33(39-24-29-17-9-4-10-18-29)32(42-36)27-38-23-28-15-7-3-8-16-28;/h3-22,32-36H,23-27H2,1H3;1H/q+1;/p-1/t32-,33-,34+,35+,36+;/m1./s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)C3=CC=CO3)NC4=NC=CC(=N4)C5=CC=CC=C5
InChI: InChI=1S/C21H20N4O4/c26-20(17-7-4-10-27-17)23-15-11-28-19-16(12-29-18(15)19)25-21-22-9-8-14(24-21)13-5-2-1-3-6-13/h1-10,15-16,18-19H,11-12H2,(H,23,26)(H,22,24,25)/t15-,16-,18+,19+/m0/s1
SMILES: C=CC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=CC7=CC=CC=C76)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C46H35NO5/c1-2-27-17-20-31(21-18-27)47-44(51)34-23-22-33-36(40(34)45(47)52)25-37-43(50)35(28-11-5-3-6-12-28)26-39(49)46(37,30-14-7-4-8-15-30)42(33)41-32-16-10-9-13-29(32)19-24-38(41)48/h2-22,24,26,34,36-37,40,42,48H,1,23,25H2/t34-,36+,37-,40-,42+,46-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=C(C=CC(=C7)Cl)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C50H40ClNO7/c1-58-35-20-24-43(59-2)31(25-35)16-13-29-14-18-34(19-15-29)52-48(56)37-22-21-36-39(45(37)49(52)57)27-41-47(55)38(30-9-5-3-6-10-30)28-44(54)50(41,32-11-7-4-8-12-32)46(36)40-26-33(51)17-23-42(40)53/h3-21,23-26,28,37,39,41,45-46,53H,22,27H2,1-2H3/t37-,39+,41-,45-,46+,50-/m0/s1
SMILES: C1C[C@H](OC1)CNC2=C(C=C(C=C2)C(=O)[O-])N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H22N2O5/c23-18-14-5-1-2-6-15(14)19(24)22(18)17-10-12(20(25)26)7-8-16(17)21-11-13-4-3-9-27-13/h1-2,7-8,10,13-15,21H,3-6,9,11H2,(H,25,26)/p-1/t13-,14-,15+/m0/s1
SMILES: CN1C[C@H]([C@H](C1)C(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H16Cl3NO/c1-22-9-15(14-7-6-13(20)8-17(14)21)16(10-22)18(23)11-2-4-12(19)5-3-11/h2-8,15-16H,9-10H2,1H3/t15-,16-/m0/s1
SMILES: CC(=CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C32H36O5/c1-23(2)20-21-33-28-27(35-30-29(28)36-31(3,4)37-30)22-34-32(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-20,27-30H,21-22H2,1-4H3/t27-,28+,29-,30-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C(=O)C(=O)N(C2=O)C
InChI: InChI=1S/C14H20N4O5/c1-8-5-3-4-6-9(8)15-13(22)16-10(19)7-18-12(21)11(20)17(2)14(18)23/h8-9H,3-7H2,1-2H3,(H2,15,16,19,22)/t8-,9+/m0/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)OCC4CNC(=O)O4)(C)C=C)O
InChI: InChI=1S/C26H38N2O8/c1-6-24(4)11-18(36-23(33)28-22(32)34-13-16-12-27-21(31)35-16)25(5)14(2)7-9-26(15(3)20(24)30)10-8-17(29)19(25)26/h6,14-16,18-20,30H,1,7-13H2,2-5H3,(H,27,31)(H,28,32,33)/t14?,15-,16?,18+,19-,20-,24+,25+,26-/m0/s1