EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C=C)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H32N2O6/c1-4-20-10-13-23(14-11-20)37-32(40)25-16-15-24-26(30(25)34(37)42)19-27-33(41)38(22-8-6-5-7-9-22)35(43)36(27,2)31(24)21-12-17-28(39)29(18-21)44-3/h4-15,17-18,25-27,30-31,39H,1,16,19H2,2-3H3/t25-,26+,27-,30-,31-,36+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)[NH2+]CCCCOC2=C(C=C(C=C2)C)C
InChI: InChI=1S/C20H33NO/c1-15-10-11-20(17(3)14-15)22-13-6-5-12-21-19-9-7-8-16(2)18(19)4/h10-11,14,16,18-19,21H,5-9,12-13H2,1-4H3/p+1/t16-,18+,19+/m1/s1
SMILES: CCCCCCCCCCCCCC[C@@H]1[C@@H](CC[C@@H](O1)[C@@H](CCC=O)OCOC)OCOC
InChI: InChI=1S/C27H52O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-26-25(32-23-30-3)19-20-27(33-26)24(18-16-21-28)31-22-29-2/h21,24-27H,4-20,22-23H2,1-3H3/t24-,25-,26-,27-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)C4=CSC=C4)CCCO
InChI: InChI=1S/C25H38N2O4S/c1-2-30-25-21(7-6-15-28)22(19-10-16-32-18-19)17-23(31-25)24(29)27-13-8-20(9-14-27)26-11-4-3-5-12-26/h10,16-18,20-22,25,28H,2-9,11-15H2,1H3/t21-,22+,25+/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)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCC5=CC=CC=C5)N6C(=O)C7=CC=CC=C7C6=O
InChI: InChI=1S/C41H43NO13/c1-49-26-16-18-27(19-17-26)52-40-32(42-38(47)28-14-8-9-15-29(28)39(42)48)37(51-22-25-12-6-3-7-13-25)36(31(54-40)23-50-21-24-10-4-2-5-11-24)55-41-35(46)34(45)33(44)30(20-43)53-41/h2-19,30-37,40-41,43-46H,20-23H2,1H3/t30-,31-,32-,33-,34+,35-,36-,37-,40-,41+/m1/s1
SMILES: CCCCC(CC)CC(C)C[C@@]1(C[C@@H]([C@@H](OO1)CC(=O)OC)CC)CC
InChI: InChI=1S/C22H42O4/c1-7-11-12-18(8-2)13-17(5)15-22(10-4)16-19(9-3)20(25-26-22)14-21(23)24-6/h17-20H,7-16H2,1-6H3/t17?,18?,19-,20-,22+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)OCC3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C17H17FN2O7/c18-11-6-20(17(25)19-15(11)22)14-5-12(13(7-21)27-14)26-8-9-1-3-10(4-2-9)16(23)24/h1-4,6,12-14,21H,5,7-8H2,(H,23,24)(H,19,22,25)/t12-,13+,14+/m0/s1
SMILES: C1=CC=NC(=C1)/C=N/O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C12H16N2O6/c15-6-8-9(16)10(17)11(18)12(19-8)20-14-5-7-3-1-2-4-13-7/h1-5,8-12,15-18H,6H2/b14-5+/t8-,9-,10+,11-,12+/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](O[C@@H]([C@H]2OC)OC)COC)(C)OC)OC
InChI: InChI=1S/C15H28O8/c1-14(19-6)15(2,20-7)23-11-10(22-14)9(8-16-3)21-13(18-5)12(11)17-4/h9-13H,8H2,1-7H3/t9-,10-,11+,12+,13+,14+,15+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CCC(=O)C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)COC(=O)C(CO)O
InChI: InChI=1S/C33H52O5/c1-20(2)21-10-15-33(19-38-28(37)23(35)18-34)17-16-31(6)22(27(21)33)8-9-25-30(5)13-12-26(36)29(3,4)24(30)11-14-32(25,31)7/h21-25,27,34-35H,1,8-19H2,2-7H3/t21-,22?,23?,24?,25?,27?,30-,31+,32+,33+/m0/s1
SMILES: C1C[C@@H](N(C1)C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=COCCO)OC(O3)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NCCO
InChI: InChI=1S/C38H40N2O9/c41-19-17-39-35(43)31-15-8-18-40(31)36(44)28-24-32(47-37(45)27-10-7-9-26(23-27)16-21-46-22-20-42)34-33(25-28)48-38(49-34,29-11-3-1-4-12-29)30-13-5-2-6-14-30/h1-7,9-14,16,21,23,25,31-34,41-42H,8,15,17-20,22,24H2,(H,39,43)/t31-,32-,33-,34+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N[C@@H](C)C3=CC4=CC=CC=C4O3
InChI: InChI=1S/C22H25N3O5/c1-13-7-3-5-9-16(13)25-21(28)20(27)24(22(25)29)12-19(26)23-14(2)18-11-15-8-4-6-10-17(15)30-18/h4,6,8,10-11,13-14,16H,3,5,7,9,12H2,1-2H3,(H,23,26)/t13-,14-,16+/m0/s1
SMILES: C[C@@H]1C[C@@]2(C(=CC(=O)O2)OCOC)[C@@](C=C1CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C39H56O6Si2/c1-30-26-39(34(42-29-41-9)25-35(40)45-39)38(8,23-18-24-43-46(10,11)36(2,3)4)27-31(30)28-44-47(37(5,6)7,32-19-14-12-15-20-32)33-21-16-13-17-22-33/h12-23,25,27,30H,24,26,28-29H2,1-11H3/b23-18+/t30-,38+,39-/m1/s1
SMILES: [H][C@]1(C2=CC=CC=C2C3=CC=CC=C3[C@@]1([2H])C([2H])([2H])[2H])[2H]
InChI: InChI=1S/C15H14/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-9,11H,10H2,1H3/t11-/m0/s1/i1D3,10D,11D/t10-,11-
SMILES: CC(=C)C(C(=O)OC)N1[C@@H]([C@@H](C1=O)N2C(=O)C3=CC=CC=C3C2=O)SC(=O)C
InChI: InChI=1S/C19H18N2O6S/c1-9(2)13(19(26)27-4)21-17(25)14(18(21)28-10(3)22)20-15(23)11-7-5-6-8-12(11)16(20)24/h5-8,13-14,18H,1H2,2-4H3/t13?,14-,18-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)NN(C2=O)C3=NC=NC4=CC=CC=C43
InChI: InChI=1S/C16H14N4O2/c21-15-10-5-1-2-6-11(10)16(22)20(19-15)14-12-7-3-4-8-13(12)17-9-18-14/h1-4,7-11H,5-6H2,(H,19,21)/t10-,11-/m0/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/C(=C\[C@H]1O2)/C)O[C@H]([C@]3(C)CO)C/C=C\C[C@H](C(=O)O)O)O
InChI: InChI=1S/C33H46O9/c1-22-12-6-4-7-14-25-20-30(33(3,21-34)29(41-25)16-11-10-15-26(35)32(38)39)42-31(37)17-9-5-8-13-24-19-27(36)23(2)28(18-22)40-24/h5-12,14,17-18,23-30,34-36H,4,13,15-16,19-21H2,1-3H3,(H,38,39)/b8-5+,11-10-,12-6+,14-7+,17-9+,22-18-/t23-,24+,25-,26-,27+,28-,29+,30-,33+/m1/s1
SMILES: COC(=O)N1C(=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)F)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C34H26ClFN2O7/c1-45-33(44)38-29(40)21-14-13-20-23(26(21)31(38)42)16-24-30(41)37(19-10-5-9-18(35)15-19)32(43)34(24,17-7-3-2-4-8-17)27(20)22-11-6-12-25(36)28(22)39/h2-13,15,21,23-24,26-27,39H,14,16H2,1H3/t21-,23+,24-,26-,27+,34+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1[C@]([C@]2([C@@H]([C@H]([C@@](O1)(O2)CCC=C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)(C5=CC=CO5)O
InChI: InChI=1S/C38H46O10/c1-8-9-22-36-29(43-24-26-17-12-10-13-18-26)30(44-25-27-19-14-11-15-20-27)38(48-36,33(40)47-35(5,6)7)37(41,28-21-16-23-42-28)31(45-36)32(39)46-34(2,3)4/h8,10-21,23,29-31,41H,1,9,22,24-25H2,2-7H3/t29-,30-,31-,36+,37+,38+/m1/s1
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=COC=CC2=O)O)O)O
InChI: InChI=1S/C29H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(31)36-21-24-26(32)27(33)28(34)29(38-24)37-23-20-35-19-18-22(23)30/h3-4,6-7,9-10,18-20,24,26-29,32-34H,2,5,8,11-17,21H2,1H3/b4-3-,7-6-,10-9-/t24-,26-,27+,28-,29-/m1/s1
SMILES: C1CCC2(C1)OC[C@]3(O2)C(=O)[C@H]4[C@@H](CO3)OC5(O4)CCCC5
InChI: InChI=1S/C16H22O6/c17-13-12-11(20-15(21-12)7-3-4-8-15)9-18-16(13)10-19-14(22-16)5-1-2-6-14/h11-12H,1-10H2/t11-,12-,16+/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
InChI: InChI=1S/C20H26N2O5S/c1-3-22(4-2)28(25,26)17-7-5-6-16(12-17)21-19(23)13-27-20(24)18-11-14-8-9-15(18)10-14/h5-9,12,14-15,18H,3-4,10-11,13H2,1-2H3,(H,21,23)/t14-,15+,18-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC)C(C)C
InChI: InChI=1S/C22H31NO6/c1-14(2)18-10-5-15(3)11-19(18)29-21(25)13-28-20(24)12-23-22(26)16-6-8-17(27-4)9-7-16/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,23,26)/t15-,18+,19-/m1/s1
SMILES: C1CN(CCN1C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)C4=CC=C(C=C4)F
InChI: InChI=1S/C24H26FN3O3/c25-17-5-9-19(10-6-17)27-13-15-28(16-14-27)20-11-7-18(8-12-20)26-23(29)21-3-1-2-4-22(21)24(30)31/h1-2,5-12,21-22H,3-4,13-16H2,(H,26,29)(H,30,31)/t21-,22-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)CCCNC(=O)[C@@H]4CCCN4)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C26H38N2O3/c1-26-11-10-20-19-9-7-18(29)14-16(19)6-8-21(20)22(26)15-17(24(26)30)4-2-13-28-25(31)23-5-3-12-27-23/h7,9,14,17,20-24,27,29-30H,2-6,8,10-13,15H2,1H3,(H,28,31)/t17-,20+,21+,22-,23-,24-,26-/m0/s1
SMILES: CCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H19NO4/c1-2-11-23-18(22)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-4,7-10,14-15H,2,5-6,11H2,1H3/t14-,15-/m0/s1
SMILES: COC(=O)C1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C18H17F3N4O5/c1-28-17(27)11-6-25(24-23-11)13-8-30-14-12(7-29-15(13)14)22-16(26)9-2-4-10(5-3-9)18(19,20)21/h2-6,12-15H,7-8H2,1H3,(H,22,26)/t12-,13-,14+,15+/m0/s1
SMILES: C1COCCN1C2=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=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C46H42N2O7/c49-23-26-55-39-14-8-7-13-34(39)42-33-19-20-35-41(45(53)48(44(35)52)32-17-15-31(16-18-32)47-21-24-54-25-22-47)37(33)27-38-43(51)36(29-9-3-1-4-10-29)28-40(50)46(38,42)30-11-5-2-6-12-30/h1-19,28,35,37-38,41-42,49H,20-27H2/t35-,37+,38-,41-,42+,46-/m0/s1
SMILES: CC(=O)NCCNC(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC(=CC=C4)O
InChI: InChI=1S/C21H28N6O3/c1-14(28)22-6-7-23-21(30)19-12-26-8-5-15(19)9-17(26)11-27-13-20(24-25-27)16-3-2-4-18(29)10-16/h2-4,10,13,15,17,19,29H,5-9,11-12H2,1H3,(H,22,28)(H,23,30)/p+1/t15-,17-,19+/m1/s1
SMILES: CCCCC1=C([C@H]2[C@@H]1[C@H]3C[C@@H]2C=C3)SC4=CC=C(C=C4)C
InChI: InChI=1S/C20H24S/c1-3-4-5-17-18-14-8-9-15(12-14)19(18)20(17)21-16-10-6-13(2)7-11-16/h6-11,14-15,18-19H,3-5,12H2,1-2H3/t14-,15+,18-,19-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CC8=CC=CS8
InChI: InChI=1S/C39H31Cl2F3N4O5S/c1-18-12-20(13-19(2)32(18)49)31-25-9-10-26-30(36(52)47(34(26)50)17-24-4-3-11-54-24)27(25)15-28-35(51)48(37(53)38(28,31)21-5-7-23(40)8-6-21)46-33-29(41)14-22(16-45-33)39(42,43)44/h3-9,11-14,16,26-28,30-31,49H,10,15,17H2,1-2H3,(H,45,46)/t26-,27+,28-,30-,31-,38+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)OC(=O)C)OC(=O)C)O)C)C=C(C)C)C
InChI: InChI=1S/C30H42O8/c1-13(2)11-20-12-15(4)21-10-9-14(3)22-24(21)23(20)16(5)27(25(22)33)38-30-26(34)29(37-19(8)32)28(17(6)35-30)36-18(7)31/h11,14-15,17,20-21,26,28-30,33-34H,9-10,12H2,1-8H3/t14-,15-,17-,20+,21+,26-,28+,29-,30-/m0/s1
SMILES: CC(=O)OCC(=C)[C@@H]1[C@H](C[C@@H](O1)OC)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C26H34O5Si/c1-19(18-29-20(2)27)25-23(17-24(28-6)30-25)31-32(26(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-25H,1,17-18H2,2-6H3/t23-,24+,25+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)N2C=CN=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H34N2O7/c1-36-31-30(39-21-26-15-9-4-10-16-26)29(38-20-25-13-7-3-8-14-25)28(37-19-24-11-5-2-6-12-24)27(41-31)22-40-32(35)34-18-17-33-23-34/h2-18,23,27-31H,19-22H2,1H3/t27-,28-,29+,30-,31+/m1/s1
SMILES: CCO/N=C(\C1=NSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O
InChI: InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/p+1/b27-13+/t14-,19-/m1/s1
SMILES: C[C@@]1(C(=O)C[C@@H]([C@H](O1)OC)SCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C26H26O5S2/c1-26(20-13-15-22(16-14-20)33(28,29)21-11-7-4-8-12-21)24(27)17-23(25(30-2)31-26)32-18-19-9-5-3-6-10-19/h3-16,23,25H,17-18H2,1-2H3/t23-,25-,26-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)/C(=C/C2=C(N(C(=C2)C)[C@H](C)COC)C)/C#N
InChI: InChI=1S/C23H33N3O4/c1-15-8-6-7-9-21(15)25-22(27)14-30-23(28)20(12-24)11-19-10-16(2)26(18(19)4)17(3)13-29-5/h10-11,15,17,21H,6-9,13-14H2,1-5H3,(H,25,27)/b20-11+/t15-,17+,21-/m0/s1
SMILES: CN1CC[C@@]23[C@@]1(C[C@@H]([C@@]24CC(=CC4=O)OC)Cl)C(=C(C(=O)C3)OC)OC
InChI: InChI=1S/C19H24ClNO5/c1-21-6-5-17-9-12(22)15(25-3)16(26-4)19(17,21)10-13(20)18(17)8-11(24-2)7-14(18)23/h7,13H,5-6,8-10H2,1-4H3/t13-,17-,18+,19+/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)CN)CN5CCC[C@H]5C(=O)OC(C)(C)C
InChI: InChI=1S/C35H44N2O5/c1-23-31(21-37-17-7-12-30(37)33(39)42-35(2,3)4)40-34(41-32(23)26-15-13-24(22-38)14-16-26)29-11-6-10-28(19-29)27-9-5-8-25(18-27)20-36/h5-6,8-11,13-16,18-19,23,30-32,34,38H,7,12,17,20-22,36H2,1-4H3/t23-,30+,31+,32+,34+/m1/s1
SMILES: CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)C(=O)OC)N(C1)C
InChI: InChI=1S/C22H30N4O3/c1-5-26(6-2)22(28)23-13-10-15-14-8-7-9-17-19(14)16(11-18(15)25(3)12-13)20(24-17)21(27)29-4/h7-9,13,15,18,24H,5-6,10-12H2,1-4H3,(H,23,28)/t13-,15+,18+/m0/s1
SMILES: C/C(=C\C1=CC(=C(C=C1)O)OCC=C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OCO3)OC(=O)C
InChI: InChI=1S/C26H31NO11/c1-6-9-33-19-11-17(7-8-18(19)31)10-13(2)26(32)27-20-21(36-14(3)28)23-24(35-12-34-23)25(38-16(5)30)22(20)37-15(4)29/h6-8,10-11,20-25,31H,1,9,12H2,2-5H3,(H,27,32)/b13-10+/t20-,21+,22-,23-,24-,25+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
InChI: InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17-,18+,19+/m1/s1
SMILES: C[C@H](/C=C/[C@@H](C(C)C)O[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@H]2C[C@H]([C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5)OS(=O)(=O)O)C)O)O)C)O
InChI: InChI=1S/C32H54O12S/c1-16(2)24(43-29-27(37)26(36)23(35)15-42-29)7-6-17(3)19-13-21(33)28-31(19,5)11-9-25-30(4)10-8-18(44-45(39,40)41)12-20(30)22(34)14-32(25,28)38/h6-7,16-29,33-38H,8-15H2,1-5H3,(H,39,40,41)/b7-6+/t17-,18+,19-,20-,21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+/m1/s1
SMILES: CCOCC(=O)N(CCC1=CC(=CC=C1)OC)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C28H35IN2O7/c1-3-37-18-26(33)31(13-11-19-7-6-8-21(15-19)36-2)23-16-20(28(35)30-12-14-32)17-25(27(23)34)38-24-10-5-4-9-22(24)29/h4-10,15,17,23,25,27,32,34H,3,11-14,16,18H2,1-2H3,(H,30,35)/t23-,25+,27+/m1/s1
SMILES: C[C@@]1(CCC[C@]2([C@H]1CCC3=C2OC=C3)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H36O2Si/c1-19(2,3)24(6,7)23-15-20(4)12-8-13-21(5)17(20)10-9-16-11-14-22-18(16)21/h11,14,17H,8-10,12-13,15H2,1-7H3/t17-,20+,21-/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=CC=C6C
InChI: InChI=1S/C30H23NO7/c1-3-37-29(36)17-12-14-18(15-13-17)31-27(34)22-23(28(31)35)30(38-24(22)19-9-5-4-8-16(19)2)25(32)20-10-6-7-11-21(20)26(30)33/h4-15,22-24H,3H2,1-2H3/t22-,23-,24+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)C4=CC=C(O4)Cl)O
InChI: InChI=1S/C35H51ClN4O7S/c1-34(2,3)39-31(42)26-19-23-14-10-11-15-24(23)20-40(26)21-27(41)25(18-22-12-8-7-9-13-22)37-33(44)30(35(4,5)48(6,45)46)38-32(43)28-16-17-29(36)47-28/h7-9,12-13,16-17,23-27,30,41H,10-11,14-15,18-21H2,1-6H3,(H,37,44)(H,38,43)(H,39,42)/t23-,24+,25-,26-,27+,30+/m0/s1
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1SC)CC(=O)N2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H31N3O2S/c1-23(14-20(25)22-18-9-5-6-10-19(18)27-2)15-21(26)24-12-11-16-7-3-4-8-17(16)13-24/h5-6,9-10,16-17H,3-4,7-8,11-15H2,1-2H3,(H,22,25)/p+1/t16-,17-/m1/s1
SMILES: CC(=O)O[C@@]12[C@@H](O1)C[C@H]3[C@]2(CC[C@@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@@H]6[C@H](C5)O6)C)C
InChI: InChI=1S/C21H30O4/c1-11(22)24-21-18(25-21)9-15-13-5-4-12-8-16-17(23-16)10-19(12,2)14(13)6-7-20(15,21)3/h12-18H,4-10H2,1-3H3/t12-,13+,14+,15+,16-,17+,18-,19-,20+,21-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@]4([C@H]([C@H]3CC=C2C1)CC[C@H]4C(=O)CCl)C)C
InChI: InChI=1S/C23H33ClO3/c1-14(25)27-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(21(26)13-24)23(18,3)11-9-19(17)22/h4,16-20H,5-13H2,1-3H3/t16-,17+,18-,19+,20-,22-,23-/m0/s1
SMILES: CCOC(=O)/C(=C/[C@H]1[C@@H](OC(O1)(C)C)C2=CC=CC=C2)/Br
InChI: InChI=1S/C16H19BrO4/c1-4-19-15(18)12(17)10-13-14(21-16(2,3)20-13)11-8-6-5-7-9-11/h5-10,13-14H,4H2,1-3H3/b12-10-/t13-,14-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C#N)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O
InChI: InChI=1S/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)/t13-,14+,15-,16+,17+,18-,22?,23?/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CC[NH+]2CC(=O)NC4=C(C=C(C=C4)Cl)Cl)O
InChI: InChI=1S/C24H28Cl2N2O3/c1-31-18-8-5-16(6-9-18)23-19-4-2-3-11-24(19,30)12-13-28(23)15-22(29)27-21-10-7-17(25)14-20(21)26/h5-10,14,19,23,30H,2-4,11-13,15H2,1H3,(H,27,29)/p+1/t19-,23+,24-/m1/s1
SMILES: C[C@H]\1CC[C@@H]2[C@@](/C1=C(\C3=C(C(=CC(=C3)O)OC)O)/Cl)(CCCC2(C)C)C
InChI: InChI=1S/C22H31ClO3/c1-13-7-8-17-21(2,3)9-6-10-22(17,4)18(13)19(23)15-11-14(24)12-16(26-5)20(15)25/h11-13,17,24-25H,6-10H2,1-5H3/b19-18+/t13-,17-,22-/m0/s1
SMILES: CC(C)OCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)C4CCCC4
InChI: InChI=1S/C29H40N2O8/c1-17(2)38-12-6-10-31(29(36)19-7-4-5-8-19)22-15-21(28(35)30-9-11-32)24-20-13-18(16-33)14-23(37-3)26(20)39-27(24)25(22)34/h13-17,19,22,24-25,27,32,34H,4-12H2,1-3H3,(H,30,35)/t22-,24+,25+,27+/m1/s1
SMILES: CC1C(C/C(=C\C=C/2\CCC[C@]3([C@H]2CC[C@@H]3C(C)CC4C(C(=C)C(=O)O4)CC(C)C)C)/C(=C)C1O)O
InChI: InChI=1S/C32H48O4/c1-18(2)15-25-21(5)31(35)36-29(25)16-19(3)26-12-13-27-23(9-8-14-32(26,27)7)10-11-24-17-28(33)22(6)30(34)20(24)4/h10-11,18-19,22,25-30,33-34H,4-5,8-9,12-17H2,1-3,6-7H3/b23-10-,24-11+/t19?,22?,25?,26-,27+,28?,29?,30?,32-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]([C@H]([C@H]([C@@H]([C@H]2OCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6
InChI: InChI=1S/C43H46O8/c1-45-36-22-18-34(19-23-36)29-50-42-40(48-27-32-14-8-4-9-15-32)38(44)39(47-26-31-12-6-3-7-13-31)41(49-28-33-16-10-5-11-17-33)43(42)51-30-35-20-24-37(46-2)25-21-35/h3-25,38-44H,26-30H2,1-2H3/t38-,39+,40-,41-,42+,43+/m0/s1
SMILES: C[C@@H]([C@H]1CCC2[C@@]1(CCC3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19?,20?,21-,22+,23-,24-,25-,27-,28-/m1/s1
SMILES: C1CCC(CC1)CN2[C@@H]3[C@H]4C[C@H]([C@@H]([C@@H]3N(C2=S)CC5=CC=CS5)OC4=O)O
InChI: InChI=1S/C20H26N2O3S2/c23-15-9-14-16-17(18(15)25-19(14)24)22(11-13-7-4-8-27-13)20(26)21(16)10-12-5-2-1-3-6-12/h4,7-8,12,14-18,23H,1-3,5-6,9-11H2/t14-,15-,16-,17-,18+/m1/s1
SMILES: CC[C@@H]([C@@H]1C[C@H]2[C@H]3[C@@]4(CC(C1[C@H]4O[Si](C)(C)C)N2C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6N3C)C7OCCCO7
InChI: InChI=1S/C34H46N2O5Si/c1-6-23(32-38-17-12-18-39-32)24-19-27-30-34(25-15-10-11-16-26(25)35(30)2)20-28(29(24)31(34)41-42(3,4)5)36(27)33(37)40-21-22-13-8-7-9-14-22/h7-11,13-16,23-24,27-32H,6,12,17-21H2,1-5H3/t23-,24-,27-,28?,29?,30-,31+,34+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](O1)C(=O)N(CC(C)C)C2=C(C=C(C=C2)Cl)C(C3=CC=CC=C3Cl)O
InChI: InChI=1S/C23H25Cl2NO5/c1-4-30-23(29)21-20(31-21)22(28)26(12-13(2)3)18-10-9-14(24)11-16(18)19(27)15-7-5-6-8-17(15)25/h5-11,13,19-21,27H,4,12H2,1-3H3/t19?,20-,21-/m0/s1
SMILES: C/C(=C/C(=O)OC)/C=C/[C@]1(C2=CC=CC=C2C(=O)C[C@]1(C)CO)O
InChI: InChI=1S/C19H22O5/c1-13(10-17(22)24-3)8-9-19(23)15-7-5-4-6-14(15)16(21)11-18(19,2)12-20/h4-10,20,23H,11-12H2,1-3H3/b9-8+,13-10-/t18-,19-/m1/s1
SMILES: CNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H25N3O6/c1-22-21(29)23-18(26)17(13-7-3-2-4-8-13)30-16(25)11-12-24-19(27)14-9-5-6-10-15(14)20(24)28/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3,(H2,22,23,26,29)/t14-,15-,17+/m0/s1
SMILES: CCCC(=O)OCCOC(=O)NC(=N[C@@H]1C=C(O[C@@H]([C@@H]1NC(=O)OC)C([C@@H](CO)O)OC)C(=O)O)N
InChI: InChI=1S/C20H32N4O12/c1-4-5-13(27)34-6-7-35-20(31)24-18(21)22-10-8-12(17(28)29)36-16(14(10)23-19(30)33-3)15(32-2)11(26)9-25/h8,10-11,14-16,25-26H,4-7,9H2,1-3H3,(H,23,30)(H,28,29)(H3,21,22,24,31)/t10-,11-,14-,15?,16+/m1/s1
SMILES: CN(C)CC1=CC(=CC=C1)CN(C[C@H]2CNC[C@@H]2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C28H34ClN3/c1-31(2)19-23-9-6-10-24(15-23)20-32(28-13-11-27(29)12-14-28)21-26-18-30-17-25(26)16-22-7-4-3-5-8-22/h3-15,25-26,30H,16-21H2,1-2H3/t25-,26+/m0/s1
SMILES: CC(C)[C@H]1CC[C@@H]([C@]1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3/t15-,17-,18+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4C(=O)CO)CO)O
InChI: InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16?,17-,19+,20-,21+/m0/s1
SMILES: CC1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC(=C(C=C4)C)C
InChI: InChI=1S/C20H22N2O3S/c1-13-5-4-6-16(9-13)21-18-11-26(24,25)12-19(18)22(20(21)23)17-8-7-14(2)15(3)10-17/h4-10,18-19H,11-12H2,1-3H3/t18-,19-/m1/s1
SMILES: C1C[C@@H](OC1)CN2[C@H]([C@H](C2=O)OC3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C21H20ClNO5/c22-14-4-6-15(7-5-14)28-20-19(13-3-8-17-18(10-13)27-12-26-17)23(21(20)24)11-16-2-1-9-25-16/h3-8,10,16,19-20H,1-2,9,11-12H2/t16-,19+,20-/m1/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@]2(C1=O)C)C)C5=CC=C(C6=CC=CC=C56)O)C)C
InChI: InChI=1S/C29H29N3O5/c1-15-16(2)25(35)29(4)23(19-10-11-22(33)18-9-7-6-8-17(18)19)20-12-13-31-26(36)30(5)27(37)32(31)21(20)14-28(29,3)24(15)34/h6-12,21,23,33H,13-14H2,1-5H3/t21-,23+,28+,29-/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CSC)CCC5=CC(=O)C=C[C@]35C)O
InChI: InChI=1S/C27H36O7S/c1-24(2)33-21-11-18-17-7-6-15-10-16(28)8-9-25(15,3)23(17)19(29)12-26(18,4)27(21,34-24)20(30)13-32-22(31)14-35-5/h8-10,17-19,21,23,29H,6-7,11-14H2,1-5H3/t17-,18-,19-,21+,23+,25-,26-,27+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)CCC2=C([C@H]3[C@@H](O2)CC4=C5C=CC6C[C@H](C[C@@H]([C@@]6([C@H]5CC[C@]34C)C)O)O)C
InChI: InChI=1S/C34H46O6S/c1-20-6-10-25(11-7-20)41(37,38)39-19-21(2)8-13-29-22(3)32-30(40-29)18-28-26-12-9-23-16-24(35)17-31(36)34(23,5)27(26)14-15-33(28,32)4/h6-7,9-12,21,23-24,27,30-32,35-36H,8,13-19H2,1-5H3/t21-,23?,24-,27+,30+,31+,32+,33+,34+/m1/s1
SMILES: C[C@H]\1CC[C@@H]2[C@@](/C1=C/C3=C(C=CC(=C3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)(CCCC2(C)C)C
InChI: InChI=1S/C36H44O3/c1-26-17-20-33-35(2,3)21-12-22-36(33,4)30(26)23-29-31(37-5)18-19-32(38-24-27-13-8-6-9-14-27)34(29)39-25-28-15-10-7-11-16-28/h6-11,13-16,18-19,23,26,33H,12,17,20-22,24-25H2,1-5H3/b30-23+/t26-,33-,36+/m0/s1
SMILES: CCC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)C
InChI: InChI=1S/C15H18N2O3S2/c1-3-11-4-6-12(7-5-11)17-13-8-22(19,20)9-14(13)21-15(17)16-10(2)18/h4-7,13-14H,3,8-9H2,1-2H3/t13-,14+/m0/s1
SMILES: C[C@@H]1C[C@@]2([C@@H]3[C@@H](CCC2=CC1=O)[C@@H]4CC[C@@H]([C@]4(CC3=O)C)C(=O)C)C
InChI: InChI=1S/C22H30O3/c1-12-10-21(3)14(9-18(12)24)5-6-15-17-8-7-16(13(2)23)22(17,4)11-19(25)20(15)21/h9,12,15-17,20H,5-8,10-11H2,1-4H3/t12-,15+,16-,17+,20-,21+,22-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NCC#C
InChI: InChI=1S/C18H26N2O4/c1-4-8-19-16(21)11-24-18(23)14-9-17(22)20(10-14)15-7-5-6-12(2)13(15)3/h1,12-15H,5-11H2,2-3H3,(H,19,21)/t12-,13-,14-,15+/m1/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=CC=CC(=C2)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C15H15NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h1-5,8,11-12H,6-7H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-,12-/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)O
InChI: InChI=1S/C12H16O3/c1-6(13)15-10-5-9(14)11-7-2-3-8(4-7)12(10)11/h2-3,7-12,14H,4-5H2,1H3/t7-,8+,9-,10+,11+,12-/m0/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC(=C(C=C3)Cl)Cl)C(=O)CCCCC=C)C(=O)NCCO
InChI: InChI=1S/C31H35Cl2IN2O7/c1-3-4-5-6-7-28(39)36(17-19-8-9-22(32)23(33)12-19)25-15-21(31(41)35-10-11-37)16-26(29(25)40)43-30-24(34)13-20(18-38)14-27(30)42-2/h3,8-9,12-14,16,18,25-26,29,37,40H,1,4-7,10-11,15,17H2,2H3,(H,35,41)/t25-,26+,29+/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)O)N(C)C
InChI: InChI=1S/C28H48N2O/c1-18(29(6)7)23-19(31)16-26(5)21-11-10-20-24(2,3)22(30(8)9)12-13-27(20)17-28(21,27)15-14-25(23,26)4/h10-11,18-23,31H,12-17H2,1-9H3/t18-,19+,20-,21-,22-,23-,25+,26-,27+,28-/m0/s1
SMILES: C[C@H](CC1=CC=C(C=C1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C28H38O3/c1-18(15-20-6-10-23(29)11-7-20)25-12-13-26-21(5-4-14-28(25,26)3)8-9-22-16-24(30)17-27(31)19(22)2/h6-11,18,24-27,29-31H,2,4-5,12-17H2,1,3H3/b21-8+,22-9-/t18-,24-,25-,26+,27+,28-/m1/s1
SMILES: CN1C=CC=C1C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@H]3CCCC[C@@H]3C(=O)N4C[C@H](C[C@H]4C(=O)[O-])NC(=O)C5=CC=CS5)C(=O)[O-]
InChI: InChI=1S/C29H35N5O8S/c1-32-10-4-8-20(32)24(35)30-16-12-21(28(39)40)33(14-16)26(37)18-6-2-3-7-19(18)27(38)34-15-17(13-22(34)29(41)42)31-25(36)23-9-5-11-43-23/h4-5,8-11,16-19,21-22H,2-3,6-7,12-15H2,1H3,(H,30,35)(H,31,36)(H,39,40)(H,41,42)/p-2/t16-,17-,18-,19-,21-,22-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=C(C=C(C=C3)F)C
InChI: InChI=1S/C20H27FN2O2/c1-12-5-4-6-18(14(12)3)23-11-15(10-19(23)24)20(25)22-17-8-7-16(21)9-13(17)2/h7-9,12,14-15,18H,4-6,10-11H2,1-3H3,(H,22,25)/t12-,14-,15+,18+/m0/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC6=CC=C(C=C6)F
InChI: InChI=1S/C25H18FNO2/c26-15-11-9-14(10-12-15)13-27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23H,13H2/t20?,21?,22-,23-/m0/s1