EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C/1=C/CC/C/2=C/CC[C@@]([C@H](/C=C(\CC1)/C(C)C)OC2=O)(C)O
InChI: InChI=1S/C20H30O3/c1-14(2)17-11-10-15(3)7-5-8-16-9-6-12-20(4,22)18(13-17)23-19(16)21/h7,9,13-14,18,22H,5-6,8,10-12H2,1-4H3/b15-7-,16-9-,17-13+/t18-,20+/m0/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)COC(=O)C5=CC(=CC=C5)N6C(=O)C=CC6=O)O)C)O
InChI: InChI=1S/C32H35NO8/c1-30-12-10-21(34)15-19(30)6-7-22-23-11-13-32(40,31(23,2)16-24(35)28(22)30)25(36)17-41-29(39)18-4-3-5-20(14-18)33-26(37)8-9-27(33)38/h3-5,8-9,14-15,22-24,28,35,40H,6-7,10-13,16-17H2,1-2H3/t22-,23-,24-,28+,30-,31-,32-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H26N2O3/c1-12-5-4-6-16(13(12)2)20-17-11-18(22)21(19(17)23)14-7-9-15(24-3)10-8-14/h7-10,12-13,16-17,20H,4-6,11H2,1-3H3/t12-,13-,16-,17-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)[C@]3([C@@H](N2O)CCC4=[N+](ON=C43)[O-])O
InChI: InChI=1S/C12H17N3O4/c16-12-7-3-1-2-4-8(7)14(17)10(12)6-5-9-11(12)13-19-15(9)18/h7-8,10,16-17H,1-6H2/t7-,8-,10-,12+/m0/s1
SMILES: C[C@H]1CC[C@H]2C(CCCC23[C@@]1(CC4=C(O3)C=CC(=C4O)CCN=C=S)C)(C)C
InChI: InChI=1S/C24H33NO2S/c1-16-6-9-20-22(2,3)11-5-12-24(20)23(16,4)14-18-19(27-24)8-7-17(21(18)26)10-13-25-15-28/h7-8,16,20,26H,5-6,9-14H2,1-4H3/t16-,20-,23+,24?/m0/s1
SMILES: CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O
InChI: InChI=1S/C17H20N2O5/c1-10(20)18-11-7-8-15(24-2)14(9-11)19-16(21)12-5-3-4-6-13(12)17(22)23/h3-4,7-9,12-13H,5-6H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t12-,13-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1C[C@H]2C=CC(=O)[C@@H]1[NH+]2CC3=CC(=CC=C3)OC
InChI: InChI=1S/C20H25NO4/c1-20(2,3)25-19(23)16-11-14-8-9-17(22)18(16)21(14)12-13-6-5-7-15(10-13)24-4/h5-10,14,16,18H,11-12H2,1-4H3/p+1/t14-,16+,18-/m1/s1
SMILES: C[C@@]12[C@H]3[C@@H]([C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)C(=C)C5)C(=O)O
InChI: InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17-,18+,19-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CNC(=O)C[C@@H]1N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)26-19-15-25-21(28)14-20(19)27(16-17-10-6-4-7-11-17)22(29)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H,25,28)(H,26,30)/t19-,20+/m1/s1
SMILES: CC1=CC[C@H]2[C@]([C@H]1CC/C(=C/CC[C@@H](C)OC(=O)C)/C)(CCCC2(C)C)C
InChI: InChI=1S/C25H42O2/c1-18(10-8-11-20(3)27-21(4)26)12-14-22-19(2)13-15-23-24(5,6)16-9-17-25(22,23)7/h10,13,20,22-23H,8-9,11-12,14-17H2,1-7H3/b18-10+/t20-,22+,23-,25+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)NCCCCNC(=O)CONC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C30H51N7O8Si/c1-28(2,3)45-27(39)36-40-16-20(38)31-13-11-12-14-32-24-21-25(34-17-33-24)37(18-35-21)26-23-22(43-30(7,8)44-23)19(42-26)15-41-46(9,10)29(4,5)6/h17-19,22-23,26H,11-16H2,1-10H3,(H,31,38)(H,36,39)(H,32,33,34)/t19-,22-,23-,26-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=C(C=C4)Cl
InChI: InChI=1S/C23H24ClN3O2/c1-15-5-2-3-7-20(15)26-22(28)19-13-17-6-4-12-25-21(17)27(23(19)29)14-16-8-10-18(24)11-9-16/h4,6,8-13,15,20H,2-3,5,7,14H2,1H3,(H,26,28)/t15-,20+/m0/s1
SMILES: CO[C@@]1([C@H](CC(=O)O1)N2[C@H](COC2=O)C3=CC=CC=C3)CCCOCC4=CC=CC=C4
InChI: InChI=1S/C24H27NO6/c1-28-24(13-8-14-29-16-18-9-4-2-5-10-18)21(15-22(26)31-24)25-20(17-30-23(25)27)19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-17H2,1H3/t20-,21+,24+/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=CC=C(C=C5)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C37H39ClN2O10/c1-4-49-37-28(13-15-47-17-18-48-16-14-41)29(23-5-7-24(8-6-23)36(45)46-3)21-32(50-37)33(42)39-26-10-12-31(22(2)19-26)40-34(43)27-11-9-25(38)20-30(27)35(40)44/h5-12,19-21,28-29,37,41H,4,13-18H2,1-3H3,(H,39,42)/t28-,29+,37+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)C)(C)OCC#CC#C)C)C)NC(=O)O2)C
InChI: InChI=1S/C37H54N2O11/c1-13-15-16-17-45-36(9)19-20(3)28(41)22(5)31-37(10,50-35(44)38-31)27(14-2)48-33(43)24(7)29(42)23(6)32(36)49-34-30(47-25(8)40)26(39(11)12)18-21(4)46-34/h1,20-24,26-27,30-32,34H,14,17-19H2,2-12H3,(H,38,44)/t20-,21-,22+,23+,24-,26+,27-,30-,31-,32-,34+,36+,37-/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)C4(CC4)C(=O)O)C)O
InChI: InChI=1S/C23H33NO5/c1-15(25)22(2)14-24(23(10-11-23)21(26)27)13-18(22)16-8-9-19(28-3)20(12-16)29-17-6-4-5-7-17/h8-9,12,15,17-18,25H,4-7,10-11,13-14H2,1-3H3,(H,26,27)/t15-,18+,22+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCCF)C[C@@H]1C3=CC=C(C=C3)C4=COC=C4
InChI: InChI=1S/C23H28FNO3/c1-27-23(26)22-20(14-19-8-9-21(22)25(19)12-3-2-11-24)17-6-4-16(5-7-17)18-10-13-28-15-18/h4-7,10,13,15,19-22H,2-3,8-9,11-12,14H2,1H3/t19-,20+,21+,22-/m0/s1
SMILES: CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)N4CC[C@]5(CCCC[C@H]5C4)O
InChI: InChI=1S/C24H29NO5/c1-15-11-19(22-17-6-4-7-18(17)23(27)30-20(22)12-15)29-14-21(26)25-10-9-24(28)8-3-2-5-16(24)13-25/h11-12,16,28H,2-10,13-14H2,1H3/t16-,24-/m0/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@]34[C@@H]2[C@@H](C=C5[C@@H]6[C@H]3C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5OC(=O)C)OC)O)OC41)OC)COC
InChI: InChI=1S/C33H43NO9/c1-6-34-16-31(17-38-3)13-12-23(39-4)33-21-15-32(37)27(43-29(36)19-10-8-7-9-11-19)24(21)20(14-22(26(31)33)42-30(33)34)25(28(32)40-5)41-18(2)35/h7-11,14,21-28,30,37H,6,12-13,15-17H2,1-5H3/t21-,22-,23+,24-,25-,26-,27-,28+,30?,31+,32-,33+/m1/s1
SMILES: CC1(CC(=O)C2=C(C=CC3=C2N1C(=O)[C@@]34C[C@]5(CN6CCC[C@@H]6C[C@H]5C4(C)C)[N+](=O)[O-])OC)C
InChI: InChI=1S/C26H33N3O5/c1-23(2)12-17(30)20-18(34-5)9-8-16-21(20)28(23)22(31)26(16)13-25(29(32)33)14-27-10-6-7-15(27)11-19(25)24(26,3)4/h8-9,15,19H,6-7,10-14H2,1-5H3/t15-,19+,25-,26-/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3OC)N4C=CC=CC4=O)O)C
InChI: InChI=1S/C23H23NO6S/c1-23(2)22(26)21(24-13-7-6-10-20(24)25)16-14-15(11-12-17(16)30-23)31(27,28)19-9-5-4-8-18(19)29-3/h4-14,21-22,26H,1-3H3/t21-,22+/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CC(=O)O)[C@@H]([C@H](CO)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-2-4(15)8(18)5(1-7(16)17)22-12-11(21)10(20)9(19)6(3-14)23-12/h4-6,8-15,18-21H,1-3H2,(H,16,17)/t4-,5+,6+,8+,9-,10-,11+,12+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CCC=C)O[Si](C)(C)C(C)(C)C)OCC=C)C
InChI: InChI=1S/C21H38O5Si/c1-10-12-13-15(26-27(8,9)20(3,4)5)16-17(22-14-11-2)18-19(23-16)25-21(6,7)24-18/h10-11,15-19H,1-2,12-14H2,3-9H3/t15-,16+,17-,18+,19+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@@]2([C@@H](C[C@H]3C(=O)CCC=C(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C25H44O2Si/c1-16(2)11-10-12-20(26)18-15-21(27-28(8,9)24(4,5)6)25(7)19-14-13-17(3)22(19)23(18)25/h11,17-19,21-23H,10,12-15H2,1-9H3/t17-,18+,19+,21-,22-,23+,25+/m1/s1
SMILES: CC(CCC=C(C)C)CC(/C=C/C1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O)O
InChI: InChI=1S/C25H40O4/c1-17(2)7-6-8-18(3)13-21(26)11-12-22-23-15-19(9-4-5-10-25(28)29)14-20(23)16-24(22)27/h7,9,11-12,18,20-24,26-27H,4-6,8,10,13-16H2,1-3H3,(H,28,29)/b12-11+,19-9-/t18?,20-,21?,22?,23-,24+/m0/s1
SMILES: CCCCC1=C(C[C@@H]([C@@H](C1)C)CC(C2=CC=CS2)C(C#N)C#N)CCCC
InChI: InChI=1S/C24H34N2S/c1-4-6-9-19-13-18(3)21(14-20(19)10-7-5-2)15-23(22(16-25)17-26)24-11-8-12-27-24/h8,11-12,18,21-23H,4-7,9-10,13-15H2,1-3H3/t18-,21-,23?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OS(=O)(=O)C3=CC=C(C=C3)C)OC)CO)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C28H30O11S2/c1-18-9-13-21(14-10-18)40(31,32)38-25-24(37-27(30)20-7-5-4-6-8-20)23(17-29)36-28(35-3)26(25)39-41(33,34)22-15-11-19(2)12-16-22/h4-16,23-26,28-29H,17H2,1-3H3/t23-,24-,25+,26-,28+/m1/s1
SMILES: CN1[C@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4
InChI: InChI=1S/C18H14N2O7/c1-19-16(11-6-13-14(27-8-26-13)7-12(11)20(24)25)15(18(22)23)9-4-2-3-5-10(9)17(19)21/h2-7,15-16H,8H2,1H3,(H,22,23)/t15-,16-/m0/s1
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)OC
InChI: InChI=1S/C20H28N2O6S/c1-22(2)29(25,26)18-11-16(6-7-17(18)27-3)21-19(23)12-28-20(24)10-15-9-13-4-5-14(15)8-13/h6-7,11,13-15H,4-5,8-10,12H2,1-3H3,(H,21,23)/t13-,14+,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H20O9/c1-6(14)19-5-9-11(20-7(2)15)12(21-8(3)16)10(17)13(18-4)22-9/h9-13,17H,5H2,1-4H3/t9-,10+,11-,12-,13+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CC4=C(C=C3)C=CC5=C4C=CC(=C5)CO)O
InChI: InChI=1S/C24H21NO5/c1-12(27)21-20-10-19(22(24(29)30)25(20)23(21)28)16-6-4-14-3-5-15-8-13(11-26)2-7-17(15)18(14)9-16/h2-9,12,20-21,26-27H,10-11H2,1H3,(H,29,30)/t12-,20-,21-/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]2N1[C@H]([C@H]([C@@H]2O)O)CO)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2/t4-,5-,6+,7+,8+,9+,10+,11+,12-,13+,14?/m0/s1
SMILES: C1CCN(CC1)C(=O)CC2CC[C@@H]([C@H](C2)C(=O)NO)C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI: InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19?,21-,22-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C\C2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C17H22F2N2O3/c1-12-4-2-3-5-15(12)21-16(22)11-23-20-10-13-6-8-14(9-7-13)24-17(18)19/h6-10,12,15,17H,2-5,11H2,1H3,(H,21,22)/b20-10-/t12-,15-/m0/s1
SMILES: CCC[C@@]1(C(=O)N(C(=O)N1)CC(=O)N2CCC[C@H]3[C@@H]2CCCC3)C4=CC=CC=C4
InChI: InChI=1S/C23H31N3O3/c1-2-14-23(18-11-4-3-5-12-18)21(28)26(22(29)24-23)16-20(27)25-15-8-10-17-9-6-7-13-19(17)25/h3-5,11-12,17,19H,2,6-10,13-16H2,1H3,(H,24,29)/t17-,19-,23-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCCCCCC6)O)C(=C5)C(=O)C7=CC=CC=C7)O)C
InChI: InChI=1S/C36H49NO3/c1-32-16-13-27(38)23-34(32)19-20-36(28(24-34)31(39)26-11-7-6-8-12-26)29(32)14-17-33(2)30(36)15-18-35(33,40)25-37-21-9-4-3-5-10-22-37/h6-8,11-12,19-20,24,27,29-30,38,40H,3-5,9-10,13-18,21-23,25H2,1-2H3/t27?,29-,30-,32-,33+,34+,35-,36-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)OC)O)(C(=O)OC)OCC[Si](C)(C)C)O
InChI: InChI=1S/C29H52N2O17Si/c1-14(34)30-20-17(37)11-29(27(42)44-4,48-24(20)22(39)18(38)12-32)46-19(13-33)23(40)25-21(31-15(2)35)16(36)10-28(47-25,26(41)43-3)45-8-9-49(5,6)7/h16-25,32-33,36-40H,8-13H2,1-7H3,(H,30,34)(H,31,35)/t16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,28+,29+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2S(=O)(=O)C3=C(C=CC=C3Cl)Cl
InChI: InChI=1S/C15H19Cl2NO2S/c16-12-7-3-8-13(17)15(12)21(19,20)18-10-4-6-11-5-1-2-9-14(11)18/h3,7-8,11,14H,1-2,4-6,9-10H2/t11-,14+/m1/s1
SMILES: CC/C=C/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@H](OC2=O)CC3=CC=CC=C3)O[Si](CC)(CC)CC)C
InChI: InChI=1S/C27H36O5Si/c1-6-10-11-15-18-22-20(5)24(28)27(31-22)25(32-33(7-2,8-3)9-4)23(30-26(27)29)19-21-16-13-12-14-17-21/h10-18,23,25H,6-9,19H2,1-5H3/b11-10+,18-15+/t23-,25+,27-/m1/s1
SMILES: CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)C(=O)CCC3(OC)OC
InChI: InChI=1S/C15H25NO3/c1-4-11-7-10-8-12-14(11)16(9-10)13(17)5-6-15(12,18-2)19-3/h10-12,14H,4-9H2,1-3H3/t10-,11+,12-,14+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[C@@H](C(=O)N(CC3=CC=CC=C3)CC(=O)NCCN4CCOCC4)O)C(=O)OCC5=CC=CC=C5)C
InChI: InChI=1S/C32H40N4O7S/c1-32(2)27(31(41)43-21-23-11-7-4-8-12-23)36-28(39)25(30(36)44-32)26(38)29(40)35(19-22-9-5-3-6-10-22)20-24(37)33-13-14-34-15-17-42-18-16-34/h3-12,25-27,30,38H,13-21H2,1-2H3,(H,33,37)/t25-,26+,27+,30-/m1/s1
SMILES: C1=CC(=CC=C1[C@H](CC[C@H]2C=NN([C@@H]2COC3=CC=C(C=C3)O)C4=CC=C(C=C4)F)O)F
InChI: InChI=1S/C25H24F2N2O3/c26-19-4-1-17(2-5-19)25(31)14-3-18-15-28-29(21-8-6-20(27)7-9-21)24(18)16-32-23-12-10-22(30)11-13-23/h1-2,4-13,15,18,24-25,30-31H,3,14,16H2/t18-,24+,25-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3(C2)CCC[C@@H]3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H48N2O4Si2/c1-18-17-28(23(30)27-22(18)29)19-15-21(32-34(10,11)25(5,6)7)26(16-19)14-12-13-20(26)31-33(8,9)24(2,3)4/h17,19-21H,12-16H2,1-11H3,(H,27,29,30)/t19-,20-,21-,26-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]1C3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H19ClN4/c26-19-9-6-17(7-10-19)23-21-12-18(16-4-2-1-3-5-16)8-11-20(21)22(13-27)24(30)25(23,14-28)15-29/h1-7,9-11,18,21,23H,8,12,30H2/t18-,21+,23+/m0/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)C)O
InChI: InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15+,16+,17+,18-,19+,20+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C21H30N4OS/c1-16-6-2-3-7-17(16)22-20(26)14-24-10-12-25(13-11-24)15-21-23-18-8-4-5-9-19(18)27-21/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3,(H,22,26)/t16-,17+/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@H](N1C)C(C2C(=O)OC)C(=O)OC
InChI: InChI=1S/C16H23NO6/c1-8(2)23-16(20)13-9-6-7-10(17(13)3)12(15(19)22-5)11(9)14(18)21-4/h6-13H,1-5H3/t9-,10+,11?,12?,13+/m1/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(C6=CC=CC=C56)O)C(=O)N(C4=O)CCCCCC(=O)O)C)C
InChI: InChI=1S/C35H37NO7/c1-18-19(2)32(41)35(3)26(31(18)40)17-25-23(30(35)22-14-15-27(37)21-10-7-6-9-20(21)22)12-13-24-29(25)34(43)36(33(24)42)16-8-4-5-11-28(38)39/h6-7,9-10,12,14-15,24-26,29-30,37H,4-5,8,11,13,16-17H2,1-3H3,(H,38,39)/t24-,25+,26-,29-,30-,35+/m0/s1
SMILES: CC[C@@H]1[C@H]([C@H]2C3=C(CCN1O2)C4=CC=CC=C4N3C)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C24H27N3O3/c1-3-19-21(25-24(28)29-15-16-9-5-4-6-10-16)23-22-18(13-14-27(19)30-23)17-11-7-8-12-20(17)26(22)2/h4-12,19,21,23H,3,13-15H2,1-2H3,(H,25,28)/t19-,21-,23+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3CN4[C@]([C@H]3C2=O)(SC(=N4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C26H21N3O2S/c1-17-12-14-20(15-13-17)29-24(30)21-16-28-26(22(21)25(29)31,19-10-6-3-7-11-19)32-23(27-28)18-8-4-2-5-9-18/h2-15,21-22H,16H2,1H3/t21-,22+,26-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC(=CC=C3)Br)C(=O)OCC)C)C4=CC=CC=C4OC
InChI: InChI=1S/C29H30BrNO6/c1-5-36-28(33)23-16(3)31-21-15-20(19-12-7-8-13-22(19)35-4)25(29(34)37-6-2)27(32)26(21)24(23)17-10-9-11-18(30)14-17/h7-14,20,24-26H,5-6,15H2,1-4H3/t20-,24-,25-,26?/m1/s1
SMILES: CCOC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CCC4OS(=O)OC5CC[C@H]6[C@]5(CC[C@@H]7[C@@H]6CCC8=CC(=C(C=C78)OCC)O)C)C)O
InChI: InChI=1S/C40H54O7S/c1-5-44-35-21-29-23(19-33(35)41)7-9-27-25(29)15-17-39(3)31(27)11-13-37(39)46-48(43)47-38-14-12-32-28-10-8-24-20-34(42)36(45-6-2)22-30(24)26(28)16-18-40(32,38)4/h19-22,25-28,31-32,37-38,41-42H,5-18H2,1-4H3/t25-,26+,27+,28-,31-,32+,37?,38?,39-,40+,48?
SMILES: CCCCCCC1CCCC2=C(C3=C(C=C12)OC([C@H]4[C@H]3CC(=CC4)C)(C)C)O
InChI: InChI=1S/C26H38O2/c1-5-6-7-8-10-18-11-9-12-19-20(18)16-23-24(25(19)27)21-15-17(2)13-14-22(21)26(3,4)28-23/h13,16,18,21-22,27H,5-12,14-15H2,1-4H3/t18?,21-,22-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=C(C=C3)OC)O[C@@H]1O)O
InChI: InChI=1S/C16H21NO7/c1-8(18)17-12-13(19)14-11(23-15(12)20)7-22-16(24-14)9-3-5-10(21-2)6-4-9/h3-6,11-16,19-20H,7H2,1-2H3,(H,17,18)/t11-,12-,13-,14-,15+,16?/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)N3CCCC3=O
InChI: InChI=1S/C22H30N2O4/c1-14-7-4-10-19(15(14)2)23-21(26)16(3)28-22(27)17-8-5-9-18(13-17)24-12-6-11-20(24)25/h5,8-9,13-16,19H,4,6-7,10-12H2,1-3H3,(H,23,26)/t14-,15-,16-,19-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC(=CC(=C4)OC)OC
InChI: InChI=1S/C23H26N2O8/c1-28-15-6-4-13(5-7-15)22(26)25-18-11-31-21-19(12-32-20(18)21)33-23(27)24-14-8-16(29-2)10-17(9-14)30-3/h4-10,18-21H,11-12H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+,21+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2OC4=C(C3)C(=O)C5=CC=CC=C5O4
InChI: InChI=1S/C17H16O3/c18-15-11-3-1-2-4-14(11)19-17-13(15)8-12-9-5-6-10(7-9)16(12)20-17/h1-4,9-10,12,16H,5-8H2/t9-,10+,12+,16-/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C15H18Cl2N2O3S/c1-10-9-11(10)15(20)18-5-7-19(8-6-18)23(21,22)13-4-2-3-12(16)14(13)17/h2-4,10-11H,5-9H2,1H3/t10-,11-/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@]34CO)C
InChI: InChI=1S/C21H30O3/c1-13(23)17-5-6-18-16-4-3-14-11-15(24)7-10-21(14,12-22)19(16)8-9-20(17,18)2/h11,16-19,22H,3-10,12H2,1-2H3/t16-,17-,18-,19+,20+,21+/m0/s1
SMILES: CC1=C2[C@@H]3C=CC[C@@H]3[C@H](NC2=C(C=C1)C)C4=CC=C(C=C4)Br
InChI: InChI=1S/C20H20BrN/c1-12-6-7-13(2)19-18(12)16-4-3-5-17(16)20(22-19)14-8-10-15(21)11-9-14/h3-4,6-11,16-17,20,22H,5H2,1-2H3/t16-,17+,20-/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16+,17+,18-,19-,20+,22+,23+,24-/m1/s1
SMILES: CCC(C)C(C(=O)OCCCOC(=O)OC1=C(C=CC(=C1[C@@H]2C[C@@H]2NC(=O)NC3=NC=C(C=C3)Br)F)C(=O)CC)N
InChI: InChI=1S/C28H34BrFN4O7/c1-4-15(3)24(31)26(36)39-11-6-12-40-28(38)41-25-17(21(35)5-2)8-9-19(30)23(25)18-13-20(18)33-27(37)34-22-10-7-16(29)14-32-22/h7-10,14-15,18,20,24H,4-6,11-13,31H2,1-3H3,(H2,32,33,34,37)/t15?,18-,20+,24?/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3)C(=O)[O-]
InChI: InChI=1S/C18H19N3O4S/c22-15(21-18-19-8-9-26-18)11-4-3-5-12(10-11)20-16(23)13-6-1-2-7-14(13)17(24)25/h3-5,8-10,13-14H,1-2,6-7H2,(H,20,23)(H,24,25)(H,19,21,22)/p-1/t13-,14-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5[C@H]2CC6=C3C(=C(C=C6)O)O[C@H]4C7=C(C5)C=C(C=N7)C8=CC=C(C=C8)Cl
InChI: InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23+,28-,29-/m0/s1
SMILES: CC(=O)O[C@@H]1CC(=C[C@H]([C@H]1OC(=O)C)OC(=O)C)C(=O)OC
InChI: InChI=1S/C14H18O8/c1-7(15)20-11-5-10(14(18)19-4)6-12(21-8(2)16)13(11)22-9(3)17/h5,11-13H,6H2,1-4H3/t11-,12-,13-/m1/s1
SMILES: C/C/1=C/[C@H]2[C@H]3[C@@H](C[C@]4(C(=O)C=C1O4)C)O[C@]([C@@]3(C(=O)O2)C)(C(C)C)O
InChI: InChI=1S/C19H24O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,9,12-13,15,22H,8H2,1-5H3/b10-6-/t12-,13+,15-,17-,18-,19-/m0/s1
SMILES: C[C@@H]1[C@H](OC2(O1)C[C@H]([C@@H](C2)C(=C)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C23H26O2/c1-16(19-10-6-4-7-11-19)21-14-23(24-17(2)18(3)25-23)15-22(21)20-12-8-5-9-13-20/h4-13,17-18,21-22H,1,14-15H2,2-3H3/t17-,18-,21+,22+/m1/s1
SMILES: CCCCC(=O)NC[C@@H]1C[C@@H]2CC[C@@H]3N2C(=O)[C@@H]1NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC3=O)CCCN=C(N)N)CC(=O)O
InChI: InChI=1S/C27H43N9O8/c1-2-3-6-19(37)31-12-14-10-15-7-8-18-25(43)34-16(5-4-9-30-27(28)29)23(41)32-13-20(38)33-17(11-21(39)40)24(42)35-22(14)26(44)36(15)18/h14-18,22H,2-13H2,1H3,(H,31,37)(H,32,41)(H,33,38)(H,34,43)(H,35,42)(H,39,40)(H4,28,29,30)/t14-,15-,16-,17-,18-,22+/m0/s1
SMILES: COC1=CC(=C(C=C1NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)OC)Cl
InChI: InChI=1S/C16H18ClNO5/c1-22-13-8-12(14(23-2)7-11(13)17)18-15(19)9-5-3-4-6-10(9)16(20)21/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)OC)C4=CCS(=O)(=O)C4)O[Si](C)(C)C
InChI: InChI=1S/C24H31NO7SSi/c1-15(32-34(3,4)5)21-20-12-19(17-10-11-33(28,29)14-17)22(25(20)23(21)26)24(27)31-13-16-6-8-18(30-2)9-7-16/h6-10,15,20-21H,11-14H2,1-5H3/t15-,20-,21-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C)OC(=O)C
InChI: InChI=1S/C40H36O12/c1-24(41)45-23-34-37(48-25(2)42)39(49-26(3)43)40(52-34)51-33-20-32-35(30(44)19-31(50-32)29-17-11-6-12-18-29)38(47-22-28-15-9-5-10-16-28)36(33)46-21-27-13-7-4-8-14-27/h4-20,34,37,39-40H,21-23H2,1-3H3/t34-,37-,39+,40+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H22N2O6/c1-12(23-19(26)16-5-3-4-6-17(16)20(23)27)21(28)29-11-18(25)14-7-9-15(10-8-14)22-13(2)24/h3-4,7-10,12,16-17H,5-6,11H2,1-2H3,(H,22,24)/t12-,16-,17-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([C@@H]1[C@@H](C(=O)OCC)NC(=O)OC(C)(C)C)CO
InChI: InChI=1S/C16H27NO7/c1-6-22-13(19)11-9(8-18)10(11)12(14(20)23-7-2)17-15(21)24-16(3,4)5/h9-12,18H,6-8H2,1-5H3,(H,17,21)/t9-,10+,11+,12+/m1/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=CC=C(C=C6)OCCO)Cl)C)Cl)(O)O
InChI: InChI=1S/C29H27BCl2N2O8/c1-33-26(38)28(31)14-21-19(23(29(28,32)27(33)39)15-5-7-18(8-6-15)42-12-11-35)9-10-20-22(21)25(37)34(24(20)36)17-4-2-3-16(13-17)30(40)41/h2-9,13,20-23,35,40-41H,10-12,14H2,1H3/t20-,21+,22-,23-,28+,29-/m0/s1
SMILES: CC1=C(C(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC=C4Cl)C
InChI: InChI=1S/C19H19ClN2O3S/c1-12-6-5-9-15(13(12)2)21-17-10-26(24,25)11-18(17)22(19(21)23)16-8-4-3-7-14(16)20/h3-9,17-18H,10-11H2,1-2H3/t17-,18-/m1/s1
SMILES: C1CC[C@@]2(CCN([C@H]([C@H]2C1)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)Cl
InChI: InChI=1S/C21H24ClNO2S/c22-21-14-8-7-13-19(21)20(17-9-3-1-4-10-17)23(16-15-21)26(24,25)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2/t19-,20+,21+/m1/s1
SMILES: C/C=C(\C)/[C@H]1[C@@H](/C(=C/C=C/C/C(=C/CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/C)/[Si](O1)(C(C)C)C(C)C)C
InChI: InChI=1S/C38H56O2Si2/c1-12-32(7)37-33(8)36(41(40-37,29(2)3)30(4)5)26-20-19-21-31(6)27-28-39-42(38(9,10)11,34-22-15-13-16-23-34)35-24-17-14-18-25-35/h12-20,22-27,29-30,33,37H,21,28H2,1-11H3/b20-19+,31-27+,32-12+,36-26-/t33-,37+/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)COC(=O)C[NH3+])O)C)O
InChI: InChI=1S/C23H33NO6/c1-21-7-5-14(25)9-13(21)3-4-15-16-6-8-23(29,18(27)12-30-19(28)11-24)22(16,2)10-17(26)20(15)21/h9,15-17,20,26,29H,3-8,10-12,24H2,1-2H3/p+1/t15-,16+,17-,20+,21-,22+,23-/m1/s1
SMILES: C/C(=C\C(=O)O)/CC[C@@H]1CCC[C@H]2[C@]1(CCCC2(C)C)C
InChI: InChI=1S/C19H32O2/c1-14(13-17(20)21)9-10-15-7-5-8-16-18(2,3)11-6-12-19(15,16)4/h13,15-16H,5-12H2,1-4H3,(H,20,21)/b14-13+/t15-,16+,19-/m0/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)F)N
InChI: InChI=1S/C10H14FN5O10P2/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-5(17)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,17H,1H2,(H2,12,14,15)(H2,18,19,20)(H2,21,22,23)/t3-,5-,6-,9-/m1/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)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC4=O)Br)O
InChI: InChI=1S/C35H28BrNO6/c1-43-27-15-19(14-26(36)32(27)40)30-21-12-13-22-29(34(42)37-33(22)41)24(21)16-25-31(39)23(18-8-4-2-5-9-18)17-28(38)35(25,30)20-10-6-3-7-11-20/h2-12,14-15,17,22,24-25,29-30,40H,13,16H2,1H3,(H,37,41,42)/t22-,24+,25-,29-,30-,35-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@@H]3[C@H]([C@@H]2C(=O)OC4=CC=C(C=C4)OC)OC(=O)O3
InChI: InChI=1S/C21H21NO6/c1-13(14-6-4-3-5-7-14)22-12-17-19(28-21(24)27-17)18(22)20(23)26-16-10-8-15(25-2)9-11-16/h3-11,13,17-19H,12H2,1-2H3/t13-,17+,18+,19+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=NC=CN=C4)C)[C@H](C)C(=O)NCCOC)O
InChI: InChI=1S/C24H33N5O4S/c1-13(21(31)27-9-10-33-4)15-5-6-24(3)11-17-19(14(2)18(24)20(15)30)28-23(34-17)29-22(32)16-12-25-7-8-26-16/h7-8,12-15,18,20,30H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,29,32)/t13-,14-,15-,18+,20-,24-/m0/s1
SMILES: CC1=CC(=NC(=N1)NC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C
InChI: InChI=1S/C16H23N3O/c1-9(2)7-12-13(16(12,5)6)14(20)19-15-17-10(3)8-11(4)18-15/h7-8,12-13H,1-6H3,(H,17,18,19,20)/t12-,13+/m1/s1
SMILES: CC(=O)N([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C3CCCCCC3
InChI: InChI=1S/C24H33IN2O5/c1-16(29)27(18-8-4-2-3-5-9-18)20-14-17(24(31)26-12-13-28)15-22(23(20)30)32-21-11-7-6-10-19(21)25/h6-7,10-11,15,18,20,22-23,28,30H,2-5,8-9,12-14H2,1H3,(H,26,31)/t20-,22+,23+/m1/s1
SMILES: CC(C)(C)C(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O
InChI: InChI=1S/C12H23NO6/c1-12(2,3)11(17)13-5-6-7(14)8(15)9(16)10(18-4)19-6/h6-10,14-16H,5H2,1-4H3,(H,13,17)/t6-,7-,8+,9+,10+/m1/s1
SMILES: CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)NS(=O)(=O)C8=CC=CC=C8
InChI: InChI=1S/C46H55N7O9S2/c1-28(2)47-44-49-38(27-63-44)37-24-40(34-21-20-31(60-3)22-36(34)48-37)61-32-23-39-41(54)51-46(43(56)52-64(58,59)33-17-9-7-10-18-33)25-29(46)14-8-5-4-6-11-19-35(42(55)53(39)26-32)50-45(57)62-30-15-12-13-16-30/h7-10,14,17-18,20-22,24,27-30,32,35,39H,4-6,11-13,15-16,19,23,25-26H2,1-3H3,(H,47,49)(H,50,57)(H,51,54)(H,52,56)/b14-8-/t29-,32-,35+,39+,46-/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl
InChI: InChI=1S/C21H17ClN2O3/c22-14-6-4-7-15(12-14)23-19(25)13-5-3-8-16(11-13)24-20(26)17-9-1-2-10-18(17)21(24)27/h1-8,11-12,17-18H,9-10H2,(H,23,25)/t17-,18-/m1/s1