EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H17ClN2O5/c19-11-5-7-12(8-6-11)20-15(22)10-26-16(23)9-21-17(24)13-3-1-2-4-14(13)18(21)25/h1-2,5-8,13-14H,3-4,9-10H2,(H,20,22)/t13-,14+
SMILES: CC(C)C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCCOC)[C@]3(N1)C4=C(C(=CC=C4)Cl)NC3=O
InChI: InChI=1S/C21H26ClN3O4/c1-11(2)10-14-15-16(19(27)25(18(15)26)8-5-9-29-3)21(24-14)12-6-4-7-13(22)17(12)23-20(21)28/h4,6-7,11,14-16,24H,5,8-10H2,1-3H3,(H,23,28)/t14-,15+,16-,21+/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)C(C)C
InChI: InChI=1S/C23H25N5O3/c1-4-15-5-11-18(12-6-15)28-22(30)20-21(23(28)31)27(26-25-20)13-19(29)24-17-9-7-16(8-10-17)14(2)3/h5-12,14,20-21H,4,13H2,1-3H3,(H,24,29)/t20-,21-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[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)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C36H25Cl2F7N2O6/c1-2-53-25-5-3-4-23(28(25)48)27-21-10-11-22-26(30(50)46(29(22)49)20-13-16(35(40,41)42)12-17(14-20)36(43,44)45)24(21)15-33(37)31(51)47(32(52)34(27,33)38)19-8-6-18(39)7-9-19/h3-10,12-14,22,24,26-27,48H,2,11,15H2,1H3/t22-,24+,26-,27+,33+,34-/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])O
InChI: InChI=1S/C31H25BrN4O9/c1-13-5-4-6-16(28(13)38)24-15-7-8-17-25(18(15)11-19-26(24)23(37)12-20(32)29(19)39)31(41)34(30(17)40)14-9-21(35(42)43)27(33(2)3)22(10-14)36(44)45/h4-7,9-10,12,17-18,24-25,38H,8,11H2,1-3H3/t17-,18+,24+,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCC(CC2)NC(=O)C(C)(C)C
InChI: InChI=1S/C19H35N3O2/c1-14-7-5-6-8-16(14)21-17(23)13-22-11-9-15(10-12-22)20-18(24)19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,24)(H,21,23)/p+1/t14-,16+/m1/s1
SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CCC(C4)O)C
InChI: InChI=1S/C21H32O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h14,16-19,22H,3-12H2,1-2H3/t14?,16-,17-,18+,19+,21+/m1/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC3=CC=C(C=C3)CNC(=O)C4=CN=C(C=C4)N/N=C/C5=CC=CC=C5S(=O)(=O)O)C=C2)C(=O)NO
InChI: InChI=1S/C41H47N7O9S/c1-26(2)20-34-33(40(51)48-53)7-5-19-57-32-16-13-27(14-17-32)21-35(46-39(34)50)41(52)44-23-29-11-9-28(10-12-29)22-43-38(49)31-15-18-37(42-24-31)47-45-25-30-6-3-4-8-36(30)58(54,55)56/h3-4,6,8-18,24-26,33-35,53H,5,7,19-23H2,1-2H3,(H,42,47)(H,43,49)(H,44,52)(H,46,50)(H,48,51)(H,54,55,56)/b45-25+/t33-,34+,35-/m0/s1
SMILES: CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N\O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI: InChI=1S/C23H34N2O12/c1-2-35-14(28)5-6-25-21(33)10-4-3-9-11(7-12(27)17(29)15(9)16(10)22(25)34)24-37-23-20(32)19(31)18(30)13(8-26)36-23/h9-10,12-13,15-20,23,26-27,29-32H,2-8H2,1H3/b24-11+/t9-,10+,12+,13+,15-,16+,17+,18+,19-,20+,23-/m0/s1
SMILES: C[C@]12CC[C@]3(O[C@]1([C@H](C[C@]4([C@@H]2CC5=C(O4)C(=C)[C@@H]6COC(=O)[C@@H]6C5=O)C)OCOCC[Si](C)(C)C)C(O3)(C)C)OC
InChI: InChI=1S/C31H46O9Si/c1-18-20-16-36-26(33)23(20)24(32)19-14-21-28(4)10-11-30(34-6)39-27(2,3)31(28,40-30)22(15-29(21,5)38-25(18)19)37-17-35-12-13-41(7,8)9/h20-23H,1,10-17H2,2-9H3/t20-,21+,22-,23-,28+,29-,30-,31+/m0/s1
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)CF)O)O)O)O)O
InChI: InChI=1S/C22H40FO13P/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/h2,13-22,24-29H,1,3-12H2,(H,30,31)/t13-,14-,15+,16+,17-,18-,19+,20-,21+,22-/m1/s1
SMILES: CC[C@@H]1[C@@H](N(C(=O)N1)CC2=CC=CC=C2OC)C3=CC=CC=C3
InChI: InChI=1S/C19H22N2O2/c1-3-16-18(14-9-5-4-6-10-14)21(19(22)20-16)13-15-11-7-8-12-17(15)23-2/h4-12,16,18H,3,13H2,1-2H3,(H,20,22)/t16-,18+/m1/s1
SMILES: C[C@H]1[C@H](C2=C(CO1)C(=C3C(=C2)C(=C(C=C3OC)OC)C4=C5[C@@H]([C@@H](OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)O)O)O
InChI: InChI=1S/C32H34O10/c1-13-29(33)16-9-18-24(22(39-5)10-23(40-6)26(18)31(35)19(16)11-41-13)27-17-7-15(37-3)8-21(38-4)25(17)32(36)20-12-42-14(2)30(34)28(20)27/h7-10,13-14,29-30,33-36H,11-12H2,1-6H3/t13-,14-,29+,30+/m0/s1
SMILES: COC(=O)CSC1=C([C@@H]([C@H](C(=O)N1)C(=O)OC)C2=CC=CC=C2Cl)C#N
InChI: InChI=1S/C17H15ClN2O5S/c1-24-12(21)8-26-16-10(7-19)13(9-5-3-4-6-11(9)18)14(15(22)20-16)17(23)25-2/h3-6,13-14H,8H2,1-2H3,(H,20,22)/t13-,14+/m0/s1
SMILES: C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O[C@H](C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C16H16O7/c17-14(18)11-9-6-7-10(22-9)12(11)16(21)23-13(15(19)20)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2,(H,17,18)(H,19,20)/t9-,10+,11-,12+,13-/m1/s1
SMILES: CC[C@@]1(O[C@@H]([C@@](O1)(C)[C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@H]6[C@@H](C5)OC(O6)(C)CC)C)C)O)CCC(C)(C)OC(=O)C)C
InChI: InChI=1S/C37H58O8/c1-11-34(8)42-27-20-25-26(39)19-24-23(32(25,6)21-28(27)43-34)13-17-33(7)29(14-18-37(24,33)40)36(10)30(44-35(9,12-2)45-36)15-16-31(4,5)41-22(3)38/h19,23,25,27-30,40H,11-18,20-21H2,1-10H3/t23-,25-,27+,28-,29-,30+,32+,33+,34?,35+,36+,37+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI: InChI=1S/C17H21ClN2O5/c1-10-5-3-4-6-15(10)19-16(21)11(2)25-17(22)13-9-12(20(23)24)7-8-14(13)18/h7-11,15H,3-6H2,1-2H3,(H,19,21)/t10-,11+,15-/m0/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1C2=CC=C(C=C2)CN(C3=CC=CC=C3)C(=O)N4CCOCC4
InChI: InChI=1S/C29H38N2O4/c1-29(2,3)35-27(32)26-12-8-7-11-25(26)23-15-13-22(14-16-23)21-31(24-9-5-4-6-10-24)28(33)30-17-19-34-20-18-30/h4-6,9-10,13-16,25-26H,7-8,11-12,17-21H2,1-3H3/t25-,26+/m0/s1
SMILES: CC(=O)C[C@@H]1[C@]2(CN(C[C@@]1(C(=O)C=C2)[N+](=O)[O-])CC3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H19N3O6/c1-13(22)9-15-17(20(24)25)8-7-16(23)18(15,21(26)27)12-19(11-17)10-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3/t15-,17+,18-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC4=CC=CC=C43)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6
InChI: InChI=1S/C26H23N3O6S/c30-26(28-19-11-3-7-16-6-1-2-10-18(16)19)35-21-15-34-24-20(14-33-25(21)24)29-36(31,32)22-12-4-8-17-9-5-13-27-23(17)22/h1-13,20-21,24-25,29H,14-15H2,(H,28,30)/t20-,21+,24+,25+/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@@H](CO[Si]2(C3=CC=CC=C3)C4=CC=CC=C4)C=C1
InChI: InChI=1S/C20H22OSi/c1-16-12-13-17-15-21-22(20(17)14-16,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,20H,14-15H2,1H3/t16-,17-,20-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O
InChI: InChI=1S/C20H30N4O12S/c1-7(26)22-12-8(27)4-20(18(32)33,36-16(12)13(29)9(28)5-25)37-6-10-14(30)15(31)17(35-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20-/m0/s1
SMILES: C[C@@H]1CCC[C@H]2[C@]1([C@@H]([C@@H](CC2=O)O)C(C)(C)O)C
InChI: InChI=1S/C15H26O3/c1-9-6-5-7-10-11(16)8-12(17)13(14(2,3)18)15(9,10)4/h9-10,12-13,17-18H,5-8H2,1-4H3/t9-,10-,12-,13+,15+/m1/s1
SMILES: CCC(=O)NC1=NC(=O)N(C=C1COC)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C14H21N3O6/c1-3-11(20)15-13-8(7-22-2)5-17(14(21)16-13)12-4-9(19)10(6-18)23-12/h5,9-10,12,18-19H,3-4,6-7H2,1-2H3,(H,15,16,20,21)/t9-,10+,12+/m0/s1
SMILES: C1[C@@H]([C@H](CO[C@H]2[C@H]1O[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)O)O
InChI: InChI=1S/C31H36O7/c32-25-16-27-29(37-20-26(25)33)31(36-19-24-14-8-3-9-15-24)30(35-18-23-12-6-2-7-13-23)28(38-27)21-34-17-22-10-4-1-5-11-22/h1-15,25-33H,16-21H2/t25-,26-,27-,28+,29-,30+,31+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCOCCOCCO
InChI: InChI=1S/C35H53N3O11/c1-4-48-35-29(10-14-42-18-21-45-17-13-39)30(32-27(2)36(3)38(34(32)41)28-8-6-5-7-9-28)26-31(49-35)33(40)37-11-15-43-19-22-46-24-25-47-23-20-44-16-12-37/h5-9,26,29-30,35,39H,4,10-25H2,1-3H3/t29-,30-,35+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)C5)C)C
InChI: InChI=1S/C26H36O4S/c1-17-4-7-20(8-5-17)31(28,29)30-24-11-10-22-21-9-6-18-16-19(27)12-14-25(18,2)23(21)13-15-26(22,24)3/h4-5,7-8,18,21-24H,6,9-16H2,1-3H3/t18-,21-,22+,23-,24-,25-,26-/m0/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4OC(=O)CCC(=O)[O-])C
InChI: InChI=1S/C23H34O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h14,16-19H,3-13H2,1-2H3,(H,25,26)/p-1/t14-,16-,17-,18+,19+,22+,23+/m1/s1
SMILES: CCCN(CCC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
InChI: InChI=1S/C16H24N5O6P/c1-3-5-20(6-4-2)14-11-15(18-8-17-14)21(9-19-11)16-12(22)13-10(26-16)7-25-28(23,24)27-13/h8-10,12-13,16,22H,3-7H2,1-2H3,(H,23,24)/t10-,12-,13-,16-/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)NC=O)O
InChI: InChI=1S/C27H29NO6/c1-31-22-12-8-20(9-13-22)27(19-6-4-3-5-7-19,21-10-14-23(32-2)15-11-21)33-17-25-24(30)16-26(34-25)28-18-29/h3-15,18,24-26,30H,16-17H2,1-2H3,(H,28,29)/t24-,25+,26+/m0/s1
SMILES: C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)CO)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C25H30O12/c26-10-14-6-8-16(9-7-14)35-23-20(19(29)18(28)17(11-27)36-23)37-24-21(30)25(32,13-34-24)12-33-22(31)15-4-2-1-3-5-15/h1-9,17-21,23-24,26-30,32H,10-13H2/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1
SMILES: CCCCC[C@@H](C=C[C@H]1[C@@H](CC(=C)[C@@H]1CC=CCCCC(=O)O)O)O
InChI: InChI=1S/C21H34O4/c1-3-4-7-10-17(22)13-14-19-18(16(2)15-20(19)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,17-20,22-23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/t17-,18-,19+,20+/m0/s1
SMILES: C[C@]12CCC3(C([C@@H]1CC[C@@]4(C2=CC[C@@H]([C@H]4O)C(=O)OC)C)(C)C)OCCO3
InChI: InChI=1S/C22H34O5/c1-19(2)15-8-9-21(4)16(7-6-14(17(21)23)18(24)25-5)20(15,3)10-11-22(19)26-12-13-27-22/h7,14-15,17,23H,6,8-13H2,1-5H3/t14-,15-,17+,20-,21+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@@H](O2)[C@H](C3=CC=CC=C3)O)C
InChI: InChI=1S/C14H18O4/c1-14(2)16-8-10(18-14)12-13(17-12)11(15)9-6-4-3-5-7-9/h3-7,10-13,15H,8H2,1-2H3/t10-,11+,12+,13+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N2C(=NC=N2)NC1=C)C3=CC(=CC=C3)F
InChI: InChI=1S/C15H15FN4O2/c1-3-22-14(21)12-9(2)19-15-17-8-18-20(15)13(12)10-5-4-6-11(16)7-10/h4-8,12-13H,2-3H2,1H3,(H,17,18,19)/t12-,13+/m1/s1
SMILES: CN(C)C[C@@H]1[C@@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)CN(C)C
InChI: InChI=1S/C22H28N2/c1-23(2)13-19-20(14-24(3)4)22-17-11-7-5-9-15(17)21(19)16-10-6-8-12-18(16)22/h5-12,19-22H,13-14H2,1-4H3/t19-,20+,21?,22?
SMILES: C[C@]12CCC3C4CCC(=O)C(=C4CCC3[C@@]15C[C@H]5C[C@H]2O)C(F)(F)F
InChI: InChI=1S/C20H25F3O2/c1-18-7-6-12-11-3-5-15(24)17(20(21,22)23)13(11)2-4-14(12)19(18)9-10(19)8-16(18)25/h10-12,14,16,25H,2-9H2,1H3/t10-,11?,12?,14?,16-,18-,19+/m1/s1
SMILES: C1C[C@H]2[C@@H](N(N=C2C(=CC3=CC(=CC=C3)[N+](=O)[O-])C1)C4=NC(=CS4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C29H23N5O4S/c35-33(36)23-12-4-7-19(16-23)15-21-10-6-14-25-27(21)31-32(28(25)22-11-5-13-24(17-22)34(37)38)29-30-26(18-39-29)20-8-2-1-3-9-20/h1-5,7-9,11-13,15-18,25,28H,6,10,14H2/t25-,28+/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@H]3C2)C(=O)/C=C/CC(C)(C)C/C=C/C=C)C
InChI: InChI=1S/C22H33NO3S/c1-6-7-8-12-20(2,3)13-9-10-19(24)23-18-15-17-11-14-22(18,21(17,4)5)16-27(23,25)26/h6-10,17-18H,1,11-16H2,2-5H3/b8-7+,10-9+/t17-,18+,22-/m1/s1
SMILES: COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3SC)O)O
InChI: InChI=1S/C12H16N4O4S/c1-19-3-6-8(17)9(18)12(20-6)16-5-15-7-10(16)13-4-14-11(7)21-2/h4-6,8-9,12,17-18H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1
SMILES: CC(C)C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCCOC)[C@@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O
InChI: InChI=1S/C21H26ClN3O4/c1-11(2)9-15-16-17(19(27)25(18(16)26)7-4-8-29-3)21(24-15)13-10-12(22)5-6-14(13)23-20(21)28/h5-6,10-11,15-17,24H,4,7-9H2,1-3H3,(H,23,28)/t15-,16+,17-,21-/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3[C@H]2OC(=O)[C@H]([C@@H](C(=O)O[C@@H]4[C@H]3[C@H]5CC[C@@]4(C5(C)C)C)C(=O)C6=CC7=C(C=C6)OCO7)C(=O)C8=CC9=C(C=C8)OCO9
InChI: InChI=1S/C40H44O10/c1-37(2)21-11-13-39(37,5)33-27(21)28-22-12-14-40(6,38(22,3)4)34(28)50-36(44)30(32(42)20-8-10-24-26(16-20)48-18-46-24)29(35(43)49-33)31(41)19-7-9-23-25(15-19)47-17-45-23/h7-10,15-16,21-22,27-30,33-34H,11-14,17-18H2,1-6H3/t21-,22-,27+,28+,29-,30-,33-,34-,39+,40+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)C[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OCC3=CC=CC=C3)NC(=O)C)C[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O
InChI: InChI=1S/C29H45NO11/c1-14-9-20(33)18(10-22-27(36)28(37)25(34)15(2)40-22)21(39-14)11-19-24(30-16(3)32)29(41-23(12-31)26(19)35)38-13-17-7-5-4-6-8-17/h4-8,14-15,18-29,31,33-37H,9-13H2,1-3H3,(H,30,32)/t14-,15+,18-,19-,20+,21+,22+,23-,24-,25-,26+,27-,28-,29+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN[C@H]4CCCCNC4=O
InChI: InChI=1S/C21H32N2O3/c1-13-6-5-8-21(2)11-18-14(10-16(13)21)15(20(25)26-18)12-23-17-7-3-4-9-22-19(17)24/h14-18,23H,1,3-12H2,2H3,(H,22,24)/t14-,15+,16-,17+,18-,21-/m1/s1
SMILES: CO[C@H]1CNC(=O)O[C@@H]2[C@@H](COC/C=C/COC[C@H]([C@H]([C@@H]1OC)OC)OC)OC[C@@H]([C@H]2OC)OC
InChI: InChI=1S/C23H41NO11/c1-26-15-11-24-23(25)35-22-18(34-14-17(28-3)21(22)31-6)13-33-10-8-7-9-32-12-16(27-2)20(30-5)19(15)29-4/h7-8,15-22H,9-14H2,1-6H3,(H,24,25)/b8-7+/t15-,16+,17-,18+,19+,20+,21+,22+/m0/s1
SMILES: CCC(C1CCC=CC1)N[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N)C(=O)O
InChI: InChI=1S/C18H29N3O3/c1-3-15(12-7-5-4-6-8-12)21-16-10-13(18(23)24)9-14(19)17(16)20-11(2)22/h4-5,10,12,14-17,21H,3,6-9,19H2,1-2H3,(H,20,22)(H,23,24)/t12?,14-,15?,16+,17+/m0/s1
SMILES: CN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C22H23N5O3/c1-27-6-5-14-15(9-23)21(26)22(11-24,12-25)19(16(14)10-27)13-7-17(28-2)20(30-4)18(8-13)29-3/h5,7-8,16,19H,6,10,26H2,1-4H3/t16-,19+/m1/s1
SMILES: C[Si](C)(C)CCOCO[C@H]1[C@H](N(C(=NC#N)N([C@@H]([C@@H]1OCOCC[Si](C)(C)C)CC2=CC=CC=C2)CC3=CC=C(C=C3)CO)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5
InChI: InChI=1S/C48H66N4O6Si2/c1-59(2,3)27-25-55-36-57-46-44(29-38-13-9-7-10-14-38)51(31-40-17-21-42(33-53)22-18-40)48(50-35-49)52(32-41-19-23-43(34-54)24-20-41)45(30-39-15-11-8-12-16-39)47(46)58-37-56-26-28-60(4,5)6/h7-24,44-47,53-54H,25-34,36-37H2,1-6H3/t44-,45-,46+,47+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)CC(=O)NC2=CC=C(C=C2)F
InChI: InChI=1S/C19H28FN3O2/c1-13-6-4-5-7-17(13)22-19(25)14(2)23(3)12-18(24)21-16-10-8-15(20)9-11-16/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14-,17+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/N=C2S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H37N3O10S/c1-18-8-12-25(13-9-18)36-31(41)26(16-23-10-14-24(15-11-23)35(6)7)34-33(36)47-32-30(45-22(5)40)29(44-21(4)39)28(43-20(3)38)27(46-32)17-42-19(2)37/h8-16,27-30,32H,17H2,1-7H3/b26-16-/t27-,28-,29+,30-,32+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC(=C(C[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3OS(=O)(=O)C(F)(F)F)C(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C48H58F6N2O10S2Si2/c1-45(2,3)69(7,8)65-41-29-35(43(57)55(31-33-21-13-11-14-22-33)37-25-17-19-27-39(37)63-67(59,60)47(49,50)51)36(30-42(41)66-70(9,10)46(4,5)6)44(58)56(32-34-23-15-12-16-24-34)38-26-18-20-28-40(38)64-68(61,62)48(52,53)54/h11-28,41-42H,29-32H2,1-10H3/t41-,42-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2[NH+]3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6
InChI: InChI=1S/C21H34N2/c1-2-17-8-14(1)13-20(17)22-3-5-23(6-4-22)21-18-9-15-7-16(11-18)12-19(21)10-15/h14-21H,1-13H2/p+2/t14-,15?,16?,17+,18?,19?,20-,21?/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl
InChI: InChI=1S/C21H25ClN2O5/c22-15-5-3-4-14(12-15)8-10-23-18(25)13-29-19(26)9-11-24-20(27)16-6-1-2-7-17(16)21(24)28/h3-5,12,16-17H,1-2,6-11,13H2,(H,23,25)/t16-,17+
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C56H70N2O9/c1-6-30-58(54(61)63-35-34-62-39-40-18-10-8-11-19-40)51-38-49(57-67-55(3,4)5)47-36-43(22-14-16-31-59)46(23-15-17-32-60)52-48-37-45(28-29-50(48)66-56(51,53(47)52)64-33-7-2)65-44-26-24-42(25-27-44)41-20-12-9-13-21-41/h7-13,18-21,24-29,36-37,43,46,51-53,59-60H,2,6,14-17,22-23,30-35,38-39H2,1,3-5H3/t43-,46+,51-,52+,53+,56+/m0/s1
SMILES: CC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
InChI: InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13?,14-,15-,16+,17-,18+,20?/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12+/m1/s1
SMILES: C[C@H]1[C@@H]([C@@]2(C[C@@H](CO2)OCC3=CC=CC=C3)O[C@@H]4[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]4OCC5=CC=CC=C5)C)O)CC#N)C
InChI: InChI=1S/C31H39NO6/c1-20-22(3)31(16-25(19-36-31)34-17-23-10-6-4-7-11-23)38-30-28(35-18-24-12-8-5-9-13-24)21(2)27(33)26(14-15-32)37-29(20)30/h4-13,20-22,25-30,33H,14,16-19H2,1-3H3/t20-,21+,22-,25-,26-,27+,28-,29+,30-,31+/m0/s1
SMILES: CC1([C@H](O[C@H]2[C@@H]([C@H]1OC)OCO[C@@H]2C(=O)O)C[C@H]3COC(=O)O3)C
InChI: InChI=1S/C15H22O9/c1-15(2)8(4-7-5-20-14(18)23-7)24-9-10(12(15)19-3)21-6-22-11(9)13(16)17/h7-12H,4-6H2,1-3H3,(H,16,17)/t7-,8+,9-,10-,11-,12+/m0/s1
SMILES: CCN1C(=CC(=N1)C)C(=O)N(CCN2CCNC2=O)C[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C20H29N5O2/c1-3-25-18(10-14(2)22-25)19(26)24(9-8-23-7-6-21-20(23)27)13-17-12-15-4-5-16(17)11-15/h4-5,10,15-17H,3,6-9,11-13H2,1-2H3,(H,21,27)/t15-,16+,17-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H19NO4/c1-13-11-17(13)20(24)25-12-18(22)14-7-9-16(10-8-14)21-19(23)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,21,23)/t13-,17+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C
InChI: InChI=1S/C28H36O4/c1-17(29)32-24-15-22-25(2,3)23(30)10-13-27(22,5)21-9-12-26(4)19(18-11-14-31-16-18)7-8-20(26)28(21,24)6/h8,10-11,13-14,16,19,21-22,24H,7,9,12,15H2,1-6H3/t19-,21+,22-,24+,26-,27+,28-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@]2([C@@H]3[C@H](C[C@@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C([C@H]1O)(C)C)O)OC(=O)C)C(=O)C4=C)O)C
InChI: InChI=1S/C24H34O8/c1-10-13-7-14(27)17-23(6)9-15(31-11(2)25)20(30)22(4,5)18(23)16(28)21(32-12(3)26)24(17,8-13)19(10)29/h13-18,20-21,27-28,30H,1,7-9H2,2-6H3/t13-,14+,15+,16-,17+,18-,20+,21+,23+,24+/m1/s1
SMILES: C[C@@H]1CC2=C(C3=C(C[C@@H]1C)C(=C(C(=C3OC)OC)O)Cl)C(=C(C(=C2Cl)O)OC)OC
InChI: InChI=1S/C22H26Cl2O6/c1-9-7-11-13(19(27-3)21(29-5)17(25)15(11)23)14-12(8-10(9)2)16(24)18(26)22(30-6)20(14)28-4/h9-10,25-26H,7-8H2,1-6H3/t9-,10+
SMILES: C1CCC2(CC1)O[C@H]([C@@H](O2)C(C3=CC=CC4=CC=CC=C43)(C5=CC=CC6=CC=CC=C65)O)C(C7=CC=CC8=CC=CC=C87)(C9=CC=CC1=CC=CC=C19)O
InChI: InChI=1S/C50H42O4/c51-49(42-28-12-20-34-16-2-6-24-38(34)42,43-29-13-21-35-17-3-7-25-39(35)43)46-47(54-48(53-46)32-10-1-11-33-48)50(52,44-30-14-22-36-18-4-8-26-40(36)44)45-31-15-23-37-19-5-9-27-41(37)45/h2-9,12-31,46-47,51-52H,1,10-11,32-33H2/t46-,47-/m1/s1
SMILES: C[C@@H]1CN(C[C@@H]1CN)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C45CC(C4)C5)F.CS(=O)(=O)O
InChI: InChI=1S/C21H23F2N3O3.CH4O3S/c1-10-7-25(8-12(10)6-24)18-15(22)2-13-17(16(18)23)26(21-3-11(4-21)5-21)9-14(19(13)27)20(28)29;1-5(2,3)4/h2,9-12H,3-8,24H2,1H3,(H,28,29);1H3,(H,2,3,4)/t10-,11?,12+,21?;/m1./s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@@H](CC[C@H]3N=C2C4=CC(=C(N=C4)OC)OC)O)OC.C(CS(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C23H28N2O5.C2H6O6S2/c1-5-30-20-10-15-16-9-14(26)6-7-18(16)25-22(17(15)11-19(20)27-2)13-8-21(28-3)23(29-4)24-12-13;3-9(4,5)1-2-10(6,7)8/h8,10-12,14,16,18,26H,5-7,9H2,1-4H3;1-2H2,(H,3,4,5)(H,6,7,8)/t14-,16-,18-;/m1./s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=COC7=C(C6)C=C(C=C7)O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl)CC9=CC=CC=C9
InChI: InChI=1S/C41H32Cl2F5N3O6/c42-40-16-26-24(7-8-25-28(26)37(54)50(36(25)53)22-10-12-49(13-11-22)17-19-4-2-1-3-5-19)29(21-14-20-15-23(52)6-9-27(20)57-18-21)41(40,43)39(56)51(38(40)55)35-33(47)31(45)30(44)32(46)34(35)48/h1-7,9,15,18,22,25-26,28-29,52H,8,10-14,16-17H2/t25-,26+,28-,29-,40+,41-/m0/s1
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H22ClN3O3/c21-14-4-3-5-15(12-14)22-8-10-23(11-9-22)18(25)13-24-19(26)16-6-1-2-7-17(16)20(24)27/h1-5,12,16-17H,6-11,13H2/t16-,17-/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+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C23H22ClN5O2/c1-22(2,3)31-21(30)29-8-7-16-17(10-25)20(28)23(12-26,13-27)19(18(16)11-29)14-5-4-6-15(24)9-14/h4-7,9,18-19H,8,11,28H2,1-3H3/t18-,19+/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C21H24N2O5/c1-12-8-13(2)19(14(3)9-12)22-17(24)11-28-18(25)10-23-20(26)15-6-4-5-7-16(15)21(23)27/h4-5,8-9,15-16H,6-7,10-11H2,1-3H3,(H,22,24)/t15-,16+
SMILES: C[C@H]1[C@H](C[C@H](N1)C(=O)N2CCC[C@H]2C#N)C(=O)N3CCOCC3
InChI: InChI=1S/C16H24N4O3/c1-11-13(15(21)19-5-7-23-8-6-19)9-14(18-11)16(22)20-4-2-3-12(20)10-17/h11-14,18H,2-9H2,1H3/t11-,12-,13-,14-/m0/s1
SMILES: CO[C@H]1C[C@@](C[C@H]([C@H]1O)O)(C(=O)NCCN2CCOCC2)OCC3=CC=CC=C3F
InChI: InChI=1S/C21H31FN2O6/c1-28-18-13-21(12-17(25)19(18)26,30-14-15-4-2-3-5-16(15)22)20(27)23-6-7-24-8-10-29-11-9-24/h2-5,17-19,25-26H,6-14H2,1H3,(H,23,27)/t17-,18+,19-,21+/m1/s1
SMILES: CC(C)[C@H]1CC[C@@]([C@@H]([C@@H]1C#N)CCC(=O)C)(C)OC(=O)C
InChI: InChI=1S/C17H27NO3/c1-11(2)14-8-9-17(5,21-13(4)20)16(15(14)10-18)7-6-12(3)19/h11,14-16H,6-9H2,1-5H3/t14-,15-,16-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)C[C@H]2[C@H]([C@@H](C(O2)(C3=CC=CC=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H32O5S/c1-24-17-19-28(20-18-24)38(34)23-29-30(35-21-25-11-5-2-6-12-25)31(36-22-26-13-7-3-8-14-26)32(33,37-29)27-15-9-4-10-16-27/h2-20,29-31,33H,21-23H2,1H3/t29-,30+,31-,32?,38+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C[C@H]2C1=CC(=O)O2)OC3CCCCO3
InChI: InChI=1S/C19H32O5Si/c1-19(2,3)25(4,5)22-12-14-13-10-17(20)23-15(13)11-16(14)24-18-8-6-7-9-21-18/h10,14-16,18H,6-9,11-12H2,1-5H3/t14-,15+,16-,18?/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=CC5CCC6C(C5)O6)OC7(O3)CC8=CC=CC=C8C7
InChI: InChI=1S/C48H54N2O10/c1-47(2,3)59-42(52)19-17-37(28-51)50-45(54)32-12-7-9-31(21-32)27-49-44(53)36-23-40(43-41(24-36)58-48(60-43)25-34-10-4-5-11-35(34)26-48)57-46(55)33-13-6-8-29(20-33)14-15-30-16-18-38-39(22-30)56-38/h4-15,20-21,24,30,37-41,43,51H,16-19,22-23,25-28H2,1-3H3,(H,49,53)(H,50,54)/t30?,37-,38?,39?,40+,41+,43-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C/C(=C\C2CCCCC2)/[C@H]1C[Si]C3=CC=CC=C3)CC[Si]C4=CC=CC=C4
InChI: InChI=1S/C33H48OSi3/c1-33(2,3)37(4,5)34-32-27(21-22-35-29-17-11-7-12-18-29)24-28(23-26-15-9-6-10-16-26)31(32)25-36-30-19-13-8-14-20-30/h7-8,11-14,17-20,23,26-27,31-32H,6,9-10,15-16,21-22,24-25H2,1-5H3/b28-23+/t27-,31+,32-/m0/s1
SMILES: CC1=C(C=CC=C1O)C(=O)NN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C
InChI: InChI=1S/C29H39N3O7/c1-18(2)15-32(31-27(35)21-10-7-11-24(33)19(21)3)16-25(34)23(14-20-8-5-4-6-9-20)30-29(36)39-26-17-38-28-22(26)12-13-37-28/h4-11,18,22-23,25-26,28,33-34H,12-17H2,1-3H3,(H,30,36)(H,31,35)/t22-,23-,25+,26-,28+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3F)Br)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C19H15BrFNO2/c20-12-8-15-13-2-1-3-14(13)17(22-18(15)16(21)9-12)10-4-6-11(7-5-10)19(23)24/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/t13-,14-,17+/m0/s1
SMILES: CC(=O)S[C@H]1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)OC)C(=O)OC
InChI: InChI=1S/C13H18O5S/c1-6(14)19-9-5-7-4-8(9)11(13(16)18-3)10(7)12(15)17-2/h7-11H,4-5H2,1-3H3/t7-,8+,9+,10+,11+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]45C(=O)N(C(=O)O5)C6CCCCC6)C
InChI: InChI=1S/C27H37NO4/c1-25-13-10-19(29)16-17(25)8-9-20-21(25)11-14-26(2)22(20)12-15-27(26)23(30)28(24(31)32-27)18-6-4-3-5-7-18/h16,18,20-22H,3-15H2,1-2H3/t20-,21+,22+,25+,26+,27+/m1/s1
SMILES: C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2[C@@H](C=C1C=C)OC(=O)C)(C[C@@H](C(=O)C3(C)C)O)C
InChI: InChI=1S/C22H32O4/c1-7-14-10-17(26-13(3)23)19-15(12(14)2)8-9-18-21(4,5)20(25)16(24)11-22(18,19)6/h7,10,12,15-19,24H,1,8-9,11H2,2-6H3/t12-,15-,16+,17-,18-,19+,22-/m1/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)ON=C3C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H11Cl2N3O6/c1-28-13-5-3-9(23(26)27)7-12(13)22-17(24)14-15(21-29-16(14)18(22)25)10-4-2-8(19)6-11(10)20/h2-7,14,16H,1H3/t14-,16-/m0/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H23N3O5S/c1-12-8-9-13(28(26,27)21(2)3)10-16(12)20-17(23)11-22-18(24)14-6-4-5-7-15(14)19(22)25/h4-5,8-10,14-15H,6-7,11H2,1-3H3,(H,20,23)/t14-,15-/m0/s1