EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)C4=CC=C(C=C4)SC
InChI: InChI=1S/C23H28N2O3S2/c1-16-3-7-19(8-4-16)25(30(27,28)21-11-9-20(29-2)10-12-21)15-23(26)24-22-14-17-5-6-18(22)13-17/h3-4,7-12,17-18,22H,5-6,13-15H2,1-2H3,(H,24,26)/t17-,18-,22+/m0/s1
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)[C@@H](C(=O)O3)CN4CCCCC4)C
InChI: InChI=1S/C20H31NO3/c1-14-7-6-10-20(2)18(24-20)17-15(9-8-14)16(19(22)23-17)13-21-11-4-3-5-12-21/h7,15-18H,3-6,8-13H2,1-2H3/b14-7+/t15-,16-,17-,18+,20+/m0/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=NC6=C(N=CN=C65)NC(=O)CCC=C)O
InChI: InChI=1S/C36H37N5O6/c1-4-5-11-31(43)40-34-33-35(38-22-37-34)41(23-39-33)32-20-29(42)30(47-32)21-46-36(24-9-7-6-8-10-24,25-12-16-27(44-2)17-13-25)26-14-18-28(45-3)19-15-26/h4,6-10,12-19,22-23,29-30,32,42H,1,5,11,20-21H2,2-3H3,(H,37,38,40,43)/t29-,30+,32+/m0/s1
SMILES: CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC(=CC=C4)N
InChI: InChI=1S/C20H28N6O/c1-13(2)22-20(27)18-11-25-7-6-14(18)9-17(25)10-26-12-19(23-24-26)15-4-3-5-16(21)8-15/h3-5,8,12-14,17-18H,6-7,9-11,21H2,1-2H3,(H,22,27)/t14-,17+,18-/m0/s1
SMILES: CC(C)C1=C(C(=NN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)F)O)O)CC3=CC=C(C=C3)/C=C/CC(=O)NCCC(=O)N
InChI: InChI=1S/C26H35FN4O7/c1-14(2)22-17(25(31-30-22)38-26-24(36)23(35)21(27)18(13-32)37-26)12-16-8-6-15(7-9-16)4-3-5-20(34)29-11-10-19(28)33/h3-4,6-9,14,18,21,23-24,26,32,35-36H,5,10-13H2,1-2H3,(H2,28,33)(H,29,34)(H,30,31)/b4-3+/t18-,21-,23+,24-,26+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CI
InChI: InChI=1S/C29H33IO5/c1-31-29-25(17-30)27(33-19-23-13-7-3-8-14-23)28(34-20-24-15-9-4-10-16-24)26(35-29)21-32-18-22-11-5-2-6-12-22/h2-16,25-29H,17-21H2,1H3/t25-,26+,27+,28+,29-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]2C[C@H]3[C@@H]([C@@H]2OC1=O)O3
InChI: InChI=1S/C9H11NO4/c1-3(11)10-6-4-2-5-8(13-5)7(4)14-9(6)12/h4-8H,2H2,1H3,(H,10,11)/t4-,5-,6+,7+,8-/m0/s1
SMILES: C[C@H](C[C@H](C1CCO1)O)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C
InChI: InChI=1S/C26H44O5/c1-14(10-20(28)22-7-9-31-22)17-4-5-18-24-19(13-23(30)26(17,18)3)25(2)8-6-16(27)11-15(25)12-21(24)29/h14-24,27-30H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21-,22?,23+,24+,25+,26-/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC(O6)(C7CC7)C8CC8)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C44H57N3O14/c1-41(2,3)58-32(51)17-15-28(22-48)46-30(49)18-19-45-40(54)43-20-29-33-34(60-44(59-33,26-11-12-26)27-13-14-27)36(43)61-47(35(43)38(52)56-29)21-25-8-6-24(7-9-25)10-16-31(50)57-37-39(53)55-23-42(37,4)5/h6-10,16,26-29,33-37,48H,11-15,17-23H2,1-5H3,(H,45,54)(H,46,49)/t28-,29+,33-,34-,35-,36+,37-,43-/m0/s1
SMILES: CN1C=NN=C1S[C@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H17ClN4O2S2/c1-26-12-23-24-21(26)29-20-17-7-3-5-13-4-2-6-16(18(13)17)19(20)25-30(27,28)15-10-8-14(22)9-11-15/h2-12,19-20,25H,1H3/t19-,20+/m0/s1
SMILES: C[C@@]1([C@H]2CC[C@@H](C2)C1(C)C)NC(=O)C[N+](C)(C)C
InChI: InChI=1S/C15H28N2O/c1-14(2)11-7-8-12(9-11)15(14,3)16-13(18)10-17(4,5)6/h11-12H,7-10H2,1-6H3/p+1/t11-,12-,15-/m0/s1
SMILES: C[C@]1([C@@H]([C@@]([N+]2=C(N1)C3=C(N=CN3)N=C2)(C)O)O)C(=O)O
InChI: InChI=1S/C11H13N5O4/c1-10(9(18)19)8(17)11(2,20)16-4-14-6-5(7(16)15-10)12-3-13-6/h3-4,8,17,20H,1-2H3,(H2,12,13,15,18,19)/p+1/t8-,10-,11+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C19H21N3O3/c1-12-6-4-5-9-19(12)17(24)22(18(25)21-19)11-16(23)14-10-20-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,20H,4-6,9,11H2,1H3,(H,21,25)/t12-,19+/m0/s1
SMILES: CN1CCC[C@@]12CCCC[C@@H]2N(C)C(=O)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H24Cl2N2O/c1-21-11-5-10-18(21)9-4-3-6-16(18)22(2)17(23)13-7-8-14(19)15(20)12-13/h7-8,12,16H,3-6,9-11H2,1-2H3/t16-,18+/m0/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)S(=O)(=O)N)N[C@@H]2C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C28H24ClN3O4S2/c29-27-25(37-24-11-4-3-10-23(24)32(33)34)15-21-26(27)20-14-17(38(30,35)36)12-13-22(20)31-28(21)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,21,25-28,31H,15H2,(H2,30,35,36)/t21-,25+,26-,27+,28-/m1/s1
SMILES: CCN(CC)CC1=C(N=C2N1C(=CC=C2)N3CCN(CC3)C)CN4CCC[C@@H]5[C@H]4C6=C(CC5)C=CC=N6
InChI: InChI=1S/C30H43N7/c1-4-34(5-2)22-26-25(32-27-11-6-12-28(37(26)27)35-19-17-33(3)18-20-35)21-36-16-8-10-24-14-13-23-9-7-15-31-29(23)30(24)36/h6-7,9,11-12,15,24,30H,4-5,8,10,13-14,16-22H2,1-3H3/t24-,30-/m0/s1
SMILES: C1CN(C2=CC=CC=C2N3[C@]1([C@@H](C3)C(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)CCC(=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C33H27Cl3N2O2/c34-25-11-5-22(6-12-25)31(39)17-19-37-20-18-33(24-9-15-27(36)16-10-24)28(32(40)23-7-13-26(35)14-8-23)21-38(33)30-4-2-1-3-29(30)37/h1-16,28H,17-21H2/t28-,33-/m0/s1
SMILES: CC1=CC[C@@H]([C@@H]2[C@H]1[C@H]3CC(=O)[C@H]([C@@H]2O3)CCCO)C(C)C
InChI: InChI=1S/C18H28O3/c1-10(2)12-7-6-11(3)16-15-9-14(20)13(5-4-8-19)18(21-15)17(12)16/h6,10,12-13,15-19H,4-5,7-9H2,1-3H3/t12-,13-,15-,16-,17-,18+/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)Cl)[C@@]5([NH+]2C1)C6=C(C=CC(=C6)F)NC5=O
InChI: InChI=1S/C22H16Cl2FN3O3/c23-10-3-5-13(24)16(8-10)28-19(29)17-15-2-1-7-27(15)22(18(17)20(28)30)12-9-11(25)4-6-14(12)26-21(22)31/h3-6,8-9,15,17-18H,1-2,7H2,(H,26,31)/p+1/t15-,17+,18-,22-/m0/s1
SMILES: C[C@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@H]3C)O)(C)CCCC(=O)N4CCOC4=O)OC(=O)CO)C
InChI: InChI=1S/C27H41NO8/c1-16-7-10-27-11-8-18(30)22(27)26(16,4)19(36-21(32)15-29)14-25(3,23(33)17(27)2)9-5-6-20(31)28-12-13-35-24(28)34/h16-17,19,22-23,29,33H,5-15H2,1-4H3/t16-,17+,19+,22-,23-,25+,26-,27-/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C22H25NO3/c24-21(19-13-7-8-14-20(19)22(25)26)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H,25,26)/t19-,20+/m0/s1
SMILES: C[Si](C)(C)OC[C@H]([C@H]1[C@H](C(=O)N1CC=C)OC2=CC=CC=C2)O[Si](C)(C)C
InChI: InChI=1S/C20H33NO4Si2/c1-8-14-21-18(17(25-27(5,6)7)15-23-26(2,3)4)19(20(21)22)24-16-12-10-9-11-13-16/h8-13,17-19H,1,14-15H2,2-7H3/t17-,18+,19-/m1/s1
SMILES: CC[C@@H]1C=CCC[C@@]1(C2=CC=CC=C2N(C)C)C(=O)O.OP(=O)(O)O
InChI: InChI=1S/C17H23NO2.H3O4P/c1-4-13-9-7-8-12-17(13,16(19)20)14-10-5-6-11-15(14)18(2)3;1-5(2,3)4/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,19,20);(H3,1,2,3,4)/t13-,17-;/m1./s1
SMILES: CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,23+,24-/m1/s1
SMILES: COC1=CC(=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(=CC=C8)[N+](=O)[O-])OC)O
InChI: InChI=1S/C40H32ClFN4O9/c1-54-31-17-26(47)18-32(55-2)34(31)35-27-14-15-28-33(38(50)44(36(28)48)24-4-3-5-25(16-24)46(52)53)29(27)19-30-37(49)45(43-23-12-10-22(42)11-13-23)39(51)40(30,35)20-6-8-21(41)9-7-20/h3-14,16-18,28-30,33,35,43,47H,15,19H2,1-2H3/t28-,29+,30-,33-,35+,40+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C38H27Br2ClN2O5/c39-21-9-12-24(13-10-21)42-34(45)27-15-14-26-28(32(27)36(42)47)19-30-35(46)43(25-8-4-7-23(41)18-25)37(48)38(30,20-5-2-1-3-6-20)33(26)29-17-22(40)11-16-31(29)44/h1-14,16-18,27-28,30,32-33,44H,15,19H2/t27-,28+,30-,32-,33+,38+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)Cl)OC(O3)(C)C)C
InChI: InChI=1S/C12H19ClO5/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10H,5H2,1-4H3/t6-,7-,8+,9+,10+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N[C@@H](C)C(=O)NC2=CC=C(C=C2)F
InChI: InChI=1S/C17H25FN2O/c1-11-5-4-6-16(12(11)2)19-13(3)17(21)20-15-9-7-14(18)8-10-15/h7-13,16,19H,4-6H2,1-3H3,(H,20,21)/t11-,12-,13+,16-/m1/s1
SMILES: C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@]1(C)O)OC)O)OC)OC)OCO3
InChI: InChI=1S/C22H26O7/c1-11-6-12-7-15-19(29-10-28-15)21(27-5)16(12)17-13(9-22(11,2)24)8-14(25-3)18(23)20(17)26-4/h7-8,11,23-24H,6,9-10H2,1-5H3/t11-,22-/m0/s1
SMILES: B(C1=CC(=CC=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=C(C=CC(=C6)Cl)O)Cl)C7=CC=C(C=C7)F)Cl)(O)O
InChI: InChI=1S/C32H23BCl3FN2O7/c34-16-4-11-24(40)22(13-16)26-20-9-10-21-25(28(42)38(27(21)41)19-3-1-2-15(12-19)33(45)46)23(20)14-31(35)29(43)39(30(44)32(26,31)36)18-7-5-17(37)6-8-18/h1-9,11-13,21,23,25-26,40,45-46H,10,14H2/t21-,23+,25-,26+,31+,32-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@]3(CC[C@@H](C([C@@H]3CC[C@]2([C@]14CC5=C(O4)C(=CC(=C5)O)C)C)(C)C)OC(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C34H44O4/c1-21-18-25(35)19-24-20-34(38-29(21)24)22(2)12-13-27-32(5)16-15-28(37-30(36)23-10-8-7-9-11-23)31(3,4)26(32)14-17-33(27,34)6/h7-11,18-19,22,26-28,35H,12-17,20H2,1-6H3/t22-,26-,27+,28-,32-,33+,34-/m0/s1
SMILES: CC(CC=C(C)C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
InChI: InChI=1S/C22H36O5/c1-15(2)10-11-16(3)19(23)13-12-18-17(20(24)14-21(18)25)8-6-4-5-7-9-22(26)27/h10,12-13,16-19,21,23,25H,4-9,11,14H2,1-3H3,(H,26,27)/b13-12+/t16?,17-,18-,19-,21-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C26H31NO2/c1-26-15-14-22-21-11-9-20(29-19-7-5-18(6-8-19)27(2)3)16-17(21)4-10-23(22)24(26)12-13-25(26)28/h5-9,11,16,22-24H,4,10,12-15H2,1-3H3/t22-,23-,24-,26-/m0/s1
SMILES: CCOC(=O)N1[C@@H](CO[C@@H]1[C@H]2[C@@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H21NO4/c1-2-23-20(22)21-16(14-9-5-3-6-10-14)13-24-19(21)18-17(25-18)15-11-7-4-8-12-15/h3-12,16-19H,2,13H2,1H3/t16-,17-,18+,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)[C@@H]3[C@]4(CO[C@@H]([C@H]4CO3)C5=CC(=C(C=C5)OC(=O)C)OC)OC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H44O18/c1-18(39)47-16-31-33(51-20(3)41)34(52-21(4)42)35(53-22(5)43)37(55-31)54-28-12-10-25(14-30(28)46-8)36-38(56-23(6)44)17-49-32(26(38)15-48-36)24-9-11-27(50-19(2)40)29(13-24)45-7/h9-14,26,31-37H,15-17H2,1-8H3/t26-,31-,32-,33-,34+,35-,36-,37-,38-/m1/s1
SMILES: CC(C)OC(=O)C(CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC3=C(N=CN=C32)N)O)O)NC(=O)COC
InChI: InChI=1S/C21H31N5O7S/c1-11(2)32-21(30)13(25-15(27)8-31-3)5-7-34-9-14-16(28)17(29)20(33-14)26-6-4-12-18(22)23-10-24-19(12)26/h4,6,10-11,13-14,16-17,20,28-29H,5,7-9H2,1-3H3,(H,25,27)(H2,22,23,24)/t13?,14-,16-,17-,20-/m1/s1
SMILES: C=CCCCO[C@H]1[C@H]2[C@H]([C@@H]([C@H](O1)CO)O)O[C@]3(CCCCO3)[C@]4(O2)CCCCO4
InChI: InChI=1S/C21H34O8/c1-2-3-6-11-24-19-18-17(16(23)15(14-22)27-19)28-20(9-4-7-12-25-20)21(29-18)10-5-8-13-26-21/h2,15-19,22-23H,1,3-14H2/t15-,16-,17+,18-,19-,20-,21-/m1/s1
SMILES: CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C
InChI: InChI=1S/C19H27NO5/c1-3-23-15-8-10-16(11-9-15)24-13-19(22)25-12-18(21)20-17-7-5-4-6-14(17)2/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,20,21)/t14-,17+/m0/s1
SMILES: CC1=C(C=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(=CC=C6)F)O)C7=CC=CC=C7)C8=CC=CC=C8)Cl
InChI: InChI=1S/C41H31ClFNO5/c1-22-15-16-25(19-32(22)42)44-39(48)27-18-17-26-30(35(27)40(44)49)20-31-37(46)29(23-9-4-2-5-10-23)21-34(45)41(31,24-11-6-3-7-12-24)36(26)28-13-8-14-33(43)38(28)47/h2-17,19,21,27,30-31,35-36,47H,18,20H2,1H3/t27-,30+,31-,35-,36+,41-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C29H26ClFN2O8/c1-29-17(26(36)32(28(29)38)13-4-7-19(31)18(30)10-13)11-16-14(5-6-15-22(16)27(37)33(39)25(15)35)23(29)12-8-20(40-2)24(34)21(9-12)41-3/h4-5,7-10,15-17,22-23,34,39H,6,11H2,1-3H3/t15-,16+,17-,22-,23-,29+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC2=CC=CC=C2CC3=CC=C(C=C3)C=C(F)F)O)O)O)CO
InChI: InChI=1S/C22H24F2O5/c23-19(24)10-14-7-5-13(6-8-14)9-15-3-1-2-4-17(15)29-18-11-16(12-25)20(26)22(28)21(18)27/h1-8,10,16,18,20-22,25-28H,9,11-12H2/t16-,18-,20-,21+,22+/m1/s1
SMILES: CCCC[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]4[C@H]3C4
InChI: InChI=1S/C17H21NO4/c1-2-3-4-12(17(21)22)18-15(19)13-8-5-6-9(11-7-10(8)11)14(13)16(18)20/h5-6,8-14H,2-4,7H2,1H3,(H,21,22)/t8-,9+,10+,11-,12-,13-,14+/m0/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H18Cl2N2O4/c1-31-19-10-6-5-9-18(19)27-23(29)20-21(16-12-11-14(25)13-17(16)26)28(32-22(20)24(27)30)15-7-3-2-4-8-15/h2-13,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C21H26O6/c1-24-21-20(26-13-16-10-6-3-7-11-16)19(23)18(22)17(27-21)14-25-12-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18-,19+,20-,21-/m1/s1
SMILES: CCC1[C@@]2(C(C(C(=O)C(CC([C@@H]([C@H](C([C@H](C(=O)O1)C)OC3CC(C([C@@H](O3)C)O)(C)OC)C)O[C@@H]4[C@H](C(C[C@@H](O4)C)N(C)C)O)(C)OCC#CC5=CN=C(C=N5)C6=CC=CN6)C)C)C(=C)CO2)C
InChI: InChI=1S/C51H76N4O12/c1-15-39-51(11)41(29(3)27-62-51)31(5)42(56)28(2)23-50(10,61-21-17-18-35-25-54-37(26-53-35)36-19-16-20-52-36)46(67-48-43(57)38(55(12)13)22-30(4)63-48)32(6)44(33(7)47(59)65-39)66-40-24-49(9,60-14)45(58)34(8)64-40/h16,19-20,25-26,28,30-34,38-41,43-46,48,52,57-58H,3,15,21-24,27H2,1-2,4-14H3/t28?,30-,31?,32-,33+,34-,38?,39?,40?,41?,43-,44?,45?,46+,48+,49?,50?,51+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCC=C)CO)O)OCC2=CC=CC=C2
InChI: InChI=1S/C20H29NO6/c1-3-4-8-11-25-20-17(21-14(2)23)19(18(24)16(12-22)27-20)26-13-15-9-6-5-7-10-15/h3,5-7,9-10,16-20,22,24H,1,4,8,11-13H2,2H3,(H,21,23)/t16-,17-,18-,19-,20-/m1/s1
SMILES: CCOC(=O)C[C@H]1[C@H]2[C@@H]([C@H](O1)C=O)OC(O2)(C)C
InChI: InChI=1S/C12H18O6/c1-4-15-9(14)5-7-10-11(8(6-13)16-7)18-12(2,3)17-10/h6-8,10-11H,4-5H2,1-3H3/t7-,8+,10-,11+/m0/s1
SMILES: C1CCC(CC1)C2(OC[C@@H](O2)[C@@H]3[C@H](OC(=O)N3[C@H]4[C@@H](N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)[C@H]7COC(O7)(C8CCCCC8)C9CCCCC9)C1CCCCC1
InChI: InChI=1S/C48H64N2O7/c51-45-43(41(33-19-7-1-8-20-33)49(45)38-29-17-6-18-30-38)50-42(39-31-53-47(56-39,34-21-9-2-10-22-34)35-23-11-3-12-24-35)44(55-46(50)52)40-32-54-48(57-40,36-25-13-4-14-26-36)37-27-15-5-16-28-37/h1,6-8,17-20,29-30,34-37,39-44H,2-5,9-16,21-28,31-32H2/t39-,40-,41+,42-,43+,44-/m1/s1
SMILES: CCCCCCC(=O)OC1C=CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C27H40O3/c1-4-5-6-7-11-25(29)30-24-10-8-9-22-21-13-12-19-18-20(28)14-16-26(19,2)23(21)15-17-27(22,24)3/h8,10,18,21-24H,4-7,9,11-17H2,1-3H3/t21-,22+,23+,24?,26-,27+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@H]4[C@@H](C(=C3)CO)O)C)O)OC(=O)O)OC(=O)C5=CC=CC=C5NC
InChI: InChI=1S/C29H35NO9/c1-13-10-17-20(21(13)32)22(33)15(12-31)11-18-23-27(3,4)29(23,39-26(35)36)24(14(2)28(17,18)37)38-25(34)16-8-6-7-9-19(16)30-5/h6-11,14,17-18,20,22-24,30-31,33,37H,12H2,1-5H3,(H,35,36)/t14-,17-,18+,20+,22-,23-,24-,28+,29-/m1/s1
SMILES: CC(=CCOC1=C(C=C(C=C1)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C=C4)O)OC)OC)C
InChI: InChI=1S/C25H30O6/c1-15(2)9-10-29-21-8-6-17(12-23(21)28-4)25-19-14-30-24(18(19)13-31-25)16-5-7-20(26)22(11-16)27-3/h5-9,11-12,18-19,24-26H,10,13-14H2,1-4H3/t18-,19-,24+,25+/m1/s1
SMILES: [3H]C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i1T
SMILES: C=CCCCCCCCCOP(=O)(O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C22H41O14P/c1-2-3-4-5-6-7-8-9-10-32-37(30,31)36-22-19(29)17(27)20(14(12-24)34-22)35-21-18(28)16(26)15(25)13(11-23)33-21/h2,13-29H,1,3-12H2,(H,30,31)/t13-,14-,15+,16+,17-,18-,19+,20-,21-,22-/m1/s1
SMILES: C1=C(N=C2C(=N1)C(=O)NN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C11H13N5O6/c12-4-1-13-5-6(14-4)10(21)16(15-9(5)20)11-8(19)7(18)3(2-17)22-11/h1,3,7-8,11,17-19H,2H2,(H2,12,14)(H,15,20)/t3-,7-,8-,11-/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O)N5C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C35H33NO8/c1-40-25-16-18-26(19-17-25)43-35-30(36-33(38)27-14-8-9-15-28(27)34(36)39)31(37)32(42-21-24-12-6-3-7-13-24)29(44-35)22-41-20-23-10-4-2-5-11-23/h2-19,29-32,35,37H,20-22H2,1H3/t29-,30-,31-,32-,35-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CSC=C5)CCCO
InChI: InChI=1S/C30H29ClN2O6S/c1-3-38-30-22(5-4-11-34)23(18-10-12-40-16-18)15-26(39-30)27(35)32-20-7-9-25(17(2)13-20)33-28(36)21-8-6-19(31)14-24(21)29(33)37/h6-10,12-16,22-23,30,34H,3-5,11H2,1-2H3,(H,32,35)/t22-,23+,30+/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)[C@@H]3[C@@H](C(=NN3)C4=CC=CC=C4OCC5=CC=CC=C5)O
InChI: InChI=1S/C24H22N2O4/c27-24-22(17-10-11-20-21(14-17)29-13-12-28-20)25-26-23(24)18-8-4-5-9-19(18)30-15-16-6-2-1-3-7-16/h1-11,14,22,24-25,27H,12-13,15H2/t22-,24+/m1/s1
SMILES: CC1=C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C20H17NO2/c1-11-9-13-10-15(11)18-17(13)19(22)21(20(18)23)16-8-4-6-12-5-2-3-7-14(12)16/h2-9,13,15,17-18H,10H2,1H3/t13-,15+,17-,18-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC5=C(C=C4)OCO5)C(=O)C6CCCC6)C(=O)NCCO)CO
InChI: InChI=1S/C31H36N2O9/c1-39-25-12-18(15-35)10-20-26-21(30(37)32-8-9-34)13-22(27(36)29(26)42-28(20)25)33(31(38)19-4-2-3-5-19)14-17-6-7-23-24(11-17)41-16-40-23/h6-7,10-13,19,22,26-27,29,34-36H,2-5,8-9,14-16H2,1H3,(H,32,37)/t22-,26+,27+,29+/m1/s1
SMILES: CN(CC1=CC=C(C=C1)COC2CCCCO2)C(=O)[C@H]3[C@@H](OCCOCCO[C@H]([C@@H](OCCOCCO3)C(=O)O)C(=O)N(C)CC4=CC=C(C=C4)COC5CCCCO5)C(=O)O
InChI: InChI=1S/C44H62N2O16/c1-45(27-31-9-13-33(14-10-31)29-61-35-7-3-5-17-55-35)41(47)37-39(43(49)50)59-25-21-54-20-24-58-38(40(44(51)52)60-26-22-53-19-23-57-37)42(48)46(2)28-32-11-15-34(16-12-32)30-62-36-8-4-6-18-56-36/h9-16,35-40H,3-8,17-30H2,1-2H3,(H,49,50)(H,51,52)/t35?,36?,37-,38-,39-,40-/m1/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3(C[C@@]3(C(=N2)N)C#N)C#N
InChI: InChI=1S/C10H10N4O2/c1-6-2-15-10(16-6)9(5-12)3-8(9,4-11)7(13)14-10/h6H,2-3H2,1H3,(H2,13,14)/t6-,8+,9+,10-/m1/s1
SMILES: C[C@H]1[C@@H](OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C17H18O4/c1-10-13-8-14(18)16(20-3)9-15(13)21-17(10)11-4-6-12(19-2)7-5-11/h4-10,17-18H,1-3H3/t10-,17-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2C3=CC=CC4=C3C(=CC=C4)[C@@]2(C5=CC=CC=C5)O
InChI: InChI=1S/C24H18O/c25-24(19-13-5-2-6-14-19)21-16-8-12-17-11-7-15-20(22(17)21)23(24)18-9-3-1-4-10-18/h1-16,23,25H/t23-,24+/m0/s1
SMILES: C/C(=C\COC(=O)C)/CC[C@@H]1C(=C)CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)O)C
InChI: InChI=1S/C22H36O3/c1-15(12-14-25-17(3)23)7-9-18-16(2)8-10-19-21(4,5)20(24)11-13-22(18,19)6/h12,18-20,24H,2,7-11,13-14H2,1,3-6H3/b15-12+/t18-,19+,20+,22-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CC2=CC=C(C=C2)OC
InChI: InChI=1S/C19H27NO4/c1-13-5-4-6-17(14(13)2)20-18(21)12-24-19(22)11-15-7-9-16(23-3)10-8-15/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,20,21)/t13-,14-,17+/m0/s1
SMILES: CCSC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C11H16N2O6S/c1-2-20-6-3-13(11(18)12-9(6)17)10-8(16)7(15)5(4-14)19-10/h3,5,7-8,10,14-16H,2,4H2,1H3,(H,12,17,18)/t5-,7-,8-,10-/m1/s1
SMILES: C[C@H](C(=O)NC1CC1)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C16H20N2O5/c1-9(14(20)17-10-6-7-10)23-13(19)8-18-15(21)11-4-2-3-5-12(11)16(18)22/h2-3,9-12H,4-8H2,1H3,(H,17,20)/t9-,11-,12+/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=CC(=C2)C3=CC=CC(=C3)CNC(=O)C4=CN=CC=C4)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C48H65N3O4/c1-4-6-8-10-12-14-29-51(30-15-13-11-9-7-5-2)35-45-37(3)46(40-26-24-38(36-52)25-27-40)55-48(54-45)43-22-17-21-42(32-43)41-20-16-19-39(31-41)33-50-47(53)44-23-18-28-49-34-44/h16-28,31-32,34,37,45-46,48,52H,4-15,29-30,33,35-36H2,1-3H3,(H,50,53)/t37-,45+,46+,48+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]2[C@@H](CCN2C(=O)[C@H]1O)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H17NO6/c1-22-16(21)11-12-10(7-8-17(12)14(19)13(11)18)23-15(20)9-5-3-2-4-6-9/h2-6,10-13,18H,7-8H2,1H3/t10-,11-,12-,13+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O
InChI: InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19+,20+,21-,23-/m1/s1
SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C15H21NO9/c16-7(14(22)23)3-6-1-2-9(8(18)4-6)24-15-13(21)12(20)11(19)10(5-17)25-15/h1-2,4,7,10-13,15,17-21H,3,5,16H2,(H,22,23)/t7?,10-,11-,12+,13-,15+/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4
InChI: InChI=1S/C22H29NO5/c1-2-26-22(25)18-11-17(18)13-23(21(24)16-6-4-3-5-7-16)12-15-8-9-19-20(10-15)28-14-27-19/h8-10,16-18H,2-7,11-14H2,1H3/t17-,18-/m0/s1
SMILES: COC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C(=O)C=C7[C@@]68C[C@@H]8CN7
InChI: InChI=1S/C31H24N6O5/c1-42-30(41)24-9-15-7-18(3-5-21(15)36-24)33-28(39)22-8-14-6-17(2-4-20(14)35-22)34-29(40)23-10-19-27(37-23)25(38)11-26-31(19)12-16(31)13-32-26/h2-11,16,32,35-37H,12-13H2,1H3,(H,33,39)(H,34,40)/t16-,31-/m1/s1
SMILES: C[C@]1(CC(=O)[C@@H]([C@@H]([C@H]1C(=O)OC)C2=CC=C(C=C2)Br)C(=O)OC)O
InChI: InChI=1S/C17H19BrO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-4-6-10(18)7-5-9/h4-7,12-14,22H,8H2,1-3H3/t12-,13-,14-,17+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2C(=O)O)N)O)O)O
InChI: InChI=1S/C13H17NO7/c1-5-9(15)10(16)11(17)13(20-5)21-7-4-2-3-6(14)8(7)12(18)19/h2-5,9-11,13,15-17H,14H2,1H3,(H,18,19)/t5-,9-,10+,11+,13-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]([C@H](C[C@@H]3[C@H](O3)CO)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C29H48O5Si3/c1-29(2,3)37(23-16-12-10-13-17-23,24-18-14-11-15-19-24)31-22-28(34-36(7,8)9)26(33-35(4,5)6)20-25-27(21-30)32-25/h10-19,25-28,30H,20-22H2,1-9H3/t25-,26+,27-,28-/m1/s1
SMILES: C[C@@H]1CN2C(=C([C@@H]([C@H]([C@]2(O1)C)C(=O)OC(C)(C)C)C3=CC(=CC=C3)Cl)C(=O)OC)C
InChI: InChI=1S/C23H30ClNO5/c1-13-12-25-14(2)17(20(26)28-7)18(15-9-8-10-16(24)11-15)19(23(25,6)29-13)21(27)30-22(3,4)5/h8-11,13,18-19H,12H2,1-7H3/t13-,18+,19+,23-/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+](=O)[S-]
InChI: InChI=1S/C37H34N3O8PS/c1-44-29-17-13-27(14-18-29)37(26-11-7-4-8-12-26,28-15-19-30(45-2)20-16-28)46-24-32-31(48-49(43)50)23-34(47-32)40-22-21-33(39-36(40)42)38-35(41)25-9-5-3-6-10-25/h3-22,31-32,34H,23-24H2,1-2H3,(H,38,39,41,42)/t31-,32+,34+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C(=C(C=C3O)Cl)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C18H15ClN2O3/c19-13-9-14(22)17-15(18(13)21(23)24)11-7-4-8-12(11)16(20-17)10-5-2-1-3-6-10/h1-7,9,11-12,16,20,22H,8H2/t11-,12-,16+/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@H]\3[C@@H](C2)NCCCN[C@H]4[C@H]([C@H]5[C@H](C4)CCCC5)/C=C/C=C3)CC1
InChI: InChI=1S/C25H40N2/c1-3-10-20-18(8-1)16-24-22(20)12-5-6-13-23-21-11-4-2-9-19(21)17-25(23)27-15-7-14-26-24/h5-6,12-13,18-27H,1-4,7-11,14-17H2/b12-5+,13-6+/t18-,19-,20+,21+,22-,23-,24+,25+/m0/s1
SMILES: COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)O[C@@H]4C[C@@H]5[C@@H](C4)C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC5=O)C(=O)NS(=O)(=O)C7CC7)N
InChI: InChI=1S/C36H41N5O7S/c1-47-24-12-15-27-31(19-24)38-30(22-9-5-4-6-10-22)20-32(27)48-25-17-28-29(18-25)34(43)41(37)16-8-3-2-7-11-23-21-36(23,39-33(28)42)35(44)40-49(45,46)26-13-14-26/h4-7,9-12,15,19-20,23,25-26,28-29H,2-3,8,13-14,16-18,21,37H2,1H3,(H,39,42)(H,40,44)/b11-7-/t23-,25-,28-,29-,36-/m1/s1
SMILES: C[C@H]1CC[C@H](O[C@H]1[C@H](COCC2=CC=CC=C2)[Hg]Br)[C@H](C)C(=O)[C@@H](C)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C27H33O5.BrH.Hg/c1-19-14-15-25(32-24(19)16-17-30-18-22-10-6-4-7-11-22)20(2)26(28)21(3)31-27(29)23-12-8-5-9-13-23;;/h4-13,16,19-21,24-25H,14-15,17-18H2,1-3H3;1H;/q;;+1/p-1/t19-,20-,21+,24-,25-;;/m0../s1
SMILES: C1CN([C@H]2[C@@H]1C(=O)O[C@@]2(CCCCl)Cl)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C17H19Cl2NO4/c18-9-4-8-17(19)14-13(15(21)24-17)7-10-20(14)16(22)23-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14+,17-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CCCC(=O)O)Cl)O
InChI: InChI=1S/C31H26Cl3FN2O8/c1-45-21-12-14(11-20(32)25(21)40)24-17-8-9-18-23(27(42)36(26(18)41)10-2-3-22(38)39)19(17)13-30(33)28(43)37(29(44)31(24,30)34)16-6-4-15(35)5-7-16/h4-8,11-12,18-19,23-24,40H,2-3,9-10,13H2,1H3,(H,38,39)/t18-,19+,23-,24-,30+,31-/m0/s1
SMILES: C1CCC(=CC1)CCN2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4OCC(=O)N
InChI: InChI=1S/C26H28N2O5/c27-22(29)16-33-21-13-7-6-12-20(21)24-23(26(31)32)18-10-4-5-11-19(18)25(30)28(24)15-14-17-8-2-1-3-9-17/h4-8,10-13,23-24H,1-3,9,14-16H2,(H2,27,29)(H,31,32)/t23-,24-/m1/s1