EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3=CC=CC=C3)OC4=CC(=NC5=C4C=CC(=C5)C6=CSC(=N6)NC(=O)CC7CCCC7)OC)O
InChI: InChI=1S/C43H50N6O9S2/c1-6-27-22-43(27,40(54)48-60(55,56)29-14-8-7-9-15-29)47-38(52)33-20-28(23-49(33)39(53)37(51)42(2,3)4)58-34-21-36(57-5)44-31-19-26(16-17-30(31)34)32-24-59-41(45-32)46-35(50)18-25-12-10-11-13-25/h6-9,14-17,19,21,24-25,27-28,33,37,51H,1,10-13,18,20,22-23H2,2-5H3,(H,47,52)(H,48,54)(H,45,46,50)/t27-,28-,33-,37-,43-/m1/s1
SMILES: C1C([C@@H]([C@H]([C@@H](O1)OC[C@@H](C(=O)O)N)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H25NO12/c15-4(12(22)23)2-24-13-10(20)8(18)6(3-25-13)27-14-11(21)9(19)7(17)5(1-16)26-14/h4-11,13-14,16-21H,1-3,15H2,(H,22,23)/t4-,5+,6?,7-,8-,9-,10+,11+,13+,14-/m0/s1
SMILES: CC12[C@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)I
InChI: InChI=1S/C25H18INO2/c1-25-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)25)21-22(25)24(29)27(23(21)28)15-12-10-14(26)11-13-15/h2-13,20-22H,1H3/t20?,21-,22-,25?/m0/s1
SMILES: C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCCCO)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C35H48O7Si/c1-43(2,3)23-22-39-35-34(41-26-30-18-11-6-12-19-30)33(40-25-29-16-9-5-10-17-29)32(38-21-13-20-36)31(42-35)27-37-24-28-14-7-4-8-15-28/h4-12,14-19,31-36H,13,20-27H2,1-3H3/t31-,32-,33+,34-,35-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)NC3=CC(CC(=O)[C@H]23)(C)C
InChI: InChI=1S/C20H22N2O4/c1-11(23)12-4-6-13(7-5-12)21-19(26)14-8-17(25)22-15-9-20(2,3)10-16(24)18(14)15/h4-7,9,14,18H,8,10H2,1-3H3,(H,21,26)(H,22,25)/t14-,18-/m1/s1
SMILES: C[C@]12CC([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)CCl
InChI: InChI=1S/C19H25ClO2/c1-19-9-12(10-20)18-14-5-3-13(21)8-11(14)2-4-15(18)16(19)6-7-17(19)22/h3,5,8,12,15-18,21-22H,2,4,6-7,9-10H2,1H3/t12?,15-,16-,17-,18+,19-/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=COC6=C(C5)C=C(C=C6)O)Cl)CBr)Cl
InChI: InChI=1S/C25H21BrCl2N2O6/c1-29-20(32)15-4-3-14-16(18(15)21(29)33)8-24(27)22(34)30(10-26)23(35)25(24,28)19(14)12-6-11-7-13(31)2-5-17(11)36-9-12/h2-3,5,7,9,15-16,18-19,31H,4,6,8,10H2,1H3/t15-,16+,18-,19-,24+,25-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N
InChI: InChI=1S/C19H27N3O2S/c20-18(24)17-14-6-3-7-15(14)25-19(17)21-16(23)11-22-9-8-12-4-1-2-5-13(12)10-22/h12-13H,1-11H2,(H2,20,24)(H,21,23)/t12-,13+/m0/s1
SMILES: C[N+]1=CC=C(C=C1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOCC(=O)O)C4=CSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C21H20N6O7S3/c1-26-4-2-11(3-5-26)35-7-10-8-36-19-15(18(31)27(19)16(10)20(32)33)24-17(30)14(25-34-6-13(28)29)12-9-37-21(22)23-12/h2-5,9,15,19H,6-8H2,1H3,(H4-,22,23,24,28,29,30,32,33)/p+1/t15-,19-/m1/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)O)OC)C(=O)N(C4=O)CC6=CC=CS6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C33H28ClFN2O6S/c1-33-22(30(40)37(32(33)42)17-6-9-24(35)23(34)13-17)14-21-19(28(33)16-5-10-25(38)26(12-16)43-2)7-8-20-27(21)31(41)36(29(20)39)15-18-4-3-11-44-18/h3-7,9-13,20-22,27-28,38H,8,14-15H2,1-2H3/t20-,21+,22-,27-,28-,33+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC=C(C=C3)NC(=O)C(C)C
InChI: InChI=1S/C22H27N3O5/c1-13(2)19(27)23-16-10-8-15(9-11-16)18(26)12-24-20(28)21(29)25(22(24)30)17-7-5-4-6-14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,23,27)/t14-,17+/m0/s1
SMILES: CC1([C@H]([C@H]1C(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=C(Cl)Cl)C
InChI: InChI=1S/C14H18Cl2O8/c1-14(2)4(3-5(15)16)6(14)12(22)24-13-9(19)7(17)8(18)10(23-13)11(20)21/h3-4,6-10,13,17-19H,1-2H3,(H,20,21)/t4-,6-,7-,8-,9+,10-,13+/m0/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
InChI: InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25+,26-,27-,29+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br)Cl
InChI: InChI=1S/C25H17BrClNO2/c1-13-10-11-14(12-19(13)27)28-23(29)21-20-15-6-2-4-8-17(15)25(26,22(21)24(28)30)18-9-5-3-7-16(18)20/h2-12,20-22H,1H3/t20?,21-,22+,25?/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O)O
InChI: InChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19-,20+/m0/s1
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2[C@@H](NC(=O)NC2=C)C3=CC(=CC=C3)F
InChI: InChI=1S/C19H17ClFN3O3/c1-10-16(18(25)23-14-9-12(20)6-7-15(14)27-2)17(24-19(26)22-10)11-4-3-5-13(21)8-11/h3-9,16-17H,1H2,2H3,(H,23,25)(H2,22,24,26)/t16-,17+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C[C@@](N(C2=O)C)(OC4=CC=CC=C34)C
InChI: InChI=1S/C23H24N2O5/c1-4-29-22(28)14-9-11-15(12-10-14)24-20(26)19-17-13-23(2,25(3)21(19)27)30-18-8-6-5-7-16(17)18/h5-12,17,19H,4,13H2,1-3H3,(H,24,26)/t17-,19-,23-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H](C2(F)F)[C@H]3[C@@H](C3(F)F)/C=C/[C@H]4[C@@H](C4(F)F)[C@@H]5[C@H](C5(F)F)COCC6=CC=CC=C6
InChI: InChI=1S/C30H28F8O2/c31-27(32)19(23(27)25-21(29(25,35)36)15-39-13-17-7-3-1-4-8-17)11-12-20-24(28(20,33)34)26-22(30(26,37)38)16-40-14-18-9-5-2-6-10-18/h1-12,19-26H,13-16H2/b12-11+/t19-,20-,21+,22+,23+,24+,25-,26-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H39NO17/c1-11(29)28-20-23(40-15(5)33)21(18(9-37-12(2)30)43-26(20)36-8)45-27-25(42-17(7)35)24(41-16(6)34)22(39-14(4)32)19(44-27)10-38-13(3)31/h18-27H,9-10H2,1-8H3,(H,28,29)/t18-,19-,20-,21-,22+,23-,24+,25-,26-,27+/m1/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C=C7)O)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl
InChI: InChI=1S/C42H34Cl2F3N5O6/c43-25-5-3-23(4-6-25)41-32(38(55)52(40(41)57)49-36-33(44)19-24(21-48-36)42(45,46)47)20-31-29(35(41)22-1-11-28(53)12-2-22)13-14-30-34(31)39(56)51(37(30)54)27-9-7-26(8-10-27)50-15-17-58-18-16-50/h1-13,19,21,30-32,34-35,53H,14-18,20H2,(H,48,49)/t30-,31+,32-,34-,35-,41+/m0/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)O)(C)OC)C)C)N(C(=O)O2)OCCCC4=CC=NC5=CC=CC=C45)C
InChI: InChI=1S/C43H63N3O11/c1-12-33-43(8)37(46(41(51)57-43)53-21-15-16-29-19-20-44-31-18-14-13-17-30(29)31)26(4)34(47)24(2)23-42(7,52-11)38(27(5)35(48)28(6)39(50)55-33)56-40-36(49)32(45(9)10)22-25(3)54-40/h13-14,17-20,24-28,32-33,36-38,40,49H,12,15-16,21-23H2,1-11H3/t24-,25-,26+,27+,28-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@H](C)OC(=O)C)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C40H40N2O7S/c1-25-34(24-50-40-42-35(30-10-6-4-7-11-30)37(49-40)31-12-8-5-9-13-31)47-39(48-36(25)32-18-16-29(23-43)17-19-32)33-20-14-28(15-21-33)22-41-38(45)26(2)46-27(3)44/h4-21,25-26,34,36,39,43H,22-24H2,1-3H3,(H,41,45)/t25-,26+,34+,36+,39+/m1/s1
SMILES: CCCCN(C1[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)C(=O)N(CCCl)N=O
InChI: InChI=1S/C19H34ClN3O12/c1-2-3-5-22(19(31)23(21-32)6-4-20)17-14(29)13(28)16(10(8-25)33-17)35-18-15(30)12(27)11(26)9(7-24)34-18/h9-18,24-30H,2-8H2,1H3/t9-,10-,11-,12+,13-,14-,15-,16-,17?,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(S4)C
InChI: InChI=1S/C20H23N3O2S2/c1-12-5-3-4-6-15(12)22-17(24)9-23-11-21-19-18(20(23)25)14(10-26-19)16-8-7-13(2)27-16/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,22,24)/t12-,15+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCC[C@H]6C(=O)OC(C)(C)C
InChI: InChI=1S/C40H47N3O9/c1-25-33(22-42-19-9-14-32(42)37(47)52-40(2,3)4)50-38(51-35(25)28-17-15-26(23-44)16-18-28)29-12-8-13-30(20-29)43-34(45)21-31(36(43)46)41-39(48)49-24-27-10-6-5-7-11-27/h5-8,10-13,15-18,20,25,31-33,35,38,44H,9,14,19,21-24H2,1-4H3,(H,41,48)/t25-,31?,32+,33+,35+,38+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C20H25F2N3O4/c1-12-5-3-4-6-15(12)23-16(26)11-25-17(27)20(2,24-19(25)28)13-7-9-14(10-8-13)29-18(21)22/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,23,26)(H,24,28)/t12-,15+,20-/m1/s1
SMILES: CN([C@@H]1C[C@H]([C@H](C[C@H]1N2CCCC2)OC)OC)C(=O)COC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C21H30Cl2N2O4/c1-24(21(26)13-29-14-6-7-15(22)16(23)10-14)17-11-19(27-2)20(28-3)12-18(17)25-8-4-5-9-25/h6-7,10,17-20H,4-5,8-9,11-13H2,1-3H3/t17-,18-,19-,20+/m1/s1
SMILES: CN1CC[C@@H]2[C@H](CC1)N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C
InChI: InChI=1S/C21H23F3N2O2S/c1-25-11-9-17-18-13-16(7-8-19(18)26(2)20(17)10-12-25)29(27,28)15-5-3-14(4-6-15)21(22,23)24/h3-8,13,17,20H,9-12H2,1-2H3/t17-,20-/m0/s1
SMILES: CC1=CC[C@@H]2C[C@@H]1[C@@H](OC2(C)C)C3=CC=C(C=C3)OC[C@H](C[NH+]4CCCCC4)O
InChI: InChI=1S/C25H37NO3/c1-18-7-10-20-15-23(18)24(29-25(20,2)3)19-8-11-22(12-9-19)28-17-21(27)16-26-13-5-4-6-14-26/h7-9,11-12,20-21,23-24,27H,4-6,10,13-17H2,1-3H3/p+1/t20-,21+,23+,24+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C15H20N2O4/c1-11-6-2-3-7-12(11)16-15(18)10-21-14-9-5-4-8-13(14)17(19)20/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,16,18)/t11-,12+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC=C2Cl)F
InChI: InChI=1S/C18H23ClFNO3/c1-10-6-4-9-15(11(10)2)21-17(22)12(3)24-18(23)16-13(19)7-5-8-14(16)20/h5,7-8,10-12,15H,4,6,9H2,1-3H3,(H,21,22)/t10-,11+,12+,15-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@H]3CC[C@]([C@]3(C[C@@H]([C@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
InChI: InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14+,15-,17+,19+,20+,21+,22-/m1/s1
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI: InChI=1S/C11H13N4O9P/c16-9-7(4-23-25(20,21)22)24-11(10(9)17)14-5-2-1-3-6(15(18)19)8(5)12-13-14/h1-3,7,9-11,16-17H,4H2,(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@H]2[C@@H](C[C@H](N2C1=O)C(=O)OC)COS(=O)(=O)C
InChI: InChI=1S/C17H28N2O8S/c1-17(2,3)27-16(22)18-11-6-7-12-10(9-26-28(5,23)24)8-13(15(21)25-4)19(12)14(11)20/h10-13H,6-9H2,1-5H3,(H,18,22)/t10-,11-,12-,13-/m0/s1
SMILES: CO[C@H]1[C@H]([C@@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16-,17+,18-,19+,20?,21-/m1/s1
SMILES: CC(=O)OC1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C36H38O7/c1-27(37)42-36-35(41-25-31-20-12-5-13-21-31)34(40-24-30-18-10-4-11-19-30)33(39-23-29-16-8-3-9-17-29)32(43-36)26-38-22-28-14-6-2-7-15-28/h2-21,32-36H,22-26H2,1H3/t32-,33+,34+,35-,36?/m1/s1
SMILES: CC1=CC=C(C=C1)/C=C/C(=O)NC2(CCCC2)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H]4CC[C@H](C4)C(=O)N[C@H]5CCCC[C@@H]5N
InChI: InChI=1S/C37H49N5O4/c1-25-13-15-26(16-14-25)17-20-33(43)42-37(21-7-8-22-37)36(46)41-32(23-27-9-3-2-4-10-27)35(45)39-29-19-18-28(24-29)34(44)40-31-12-6-5-11-30(31)38/h2-4,9-10,13-17,20,28-32H,5-8,11-12,18-19,21-24,38H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,43)/b20-17+/t28-,29+,30+,31+,32-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)NC3=NOC(=C3)C)C4=CC=CC(=C4)C
InChI: InChI=1S/C22H27N5O2S/c1-14-7-6-9-17(11-14)21-24-25-22(27(21)18-10-5-4-8-15(18)2)30-13-20(28)23-19-12-16(3)29-26-19/h6-7,9,11-12,15,18H,4-5,8,10,13H2,1-3H3,(H,23,26,28)/t15-,18+/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)[C@@](CC[NH+]2CC3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1S/C22H27NO/c24-22(19-11-5-2-6-12-19)15-16-23(17-18-9-3-1-4-10-18)21-14-8-7-13-20(21)22/h1-6,9-12,20-21,24H,7-8,13-17H2/p+1/t20-,21+,22+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N[C@@H](CSCCCC(=O)NO)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O
InChI: InChI=1S/C25H32N4O5S/c1-29(2)18-11-9-16(10-12-18)24(32)26-20(15-35-13-5-8-22(31)28-34)25(33)27-23-19-7-4-3-6-17(19)14-21(23)30/h3-4,6-7,9-12,20-21,23,30,34H,5,8,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,28,31)/t20-,21+,23-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@]([C@@H]3[C@H](O2)OC(O3)(C)C)(CS(=O)(=O)N)O)C
InChI: InChI=1S/C13H23NO8S/c1-11(2)18-5-7(20-11)8-13(15,6-23(14,16)17)9-10(19-8)22-12(3,4)21-9/h7-10,15H,5-6H2,1-4H3,(H2,14,16,17)/t7-,8-,9+,10-,13-/m1/s1
SMILES: CN1CCN2[C@H](C1)[C@]3(CC4=CC=CC=C42)C(=O)NC(=O)N(C3=O)CC5=CC=CC=C5
InChI: InChI=1S/C23H24N4O3/c1-25-11-12-26-18-10-6-5-9-17(18)13-23(19(26)15-25)20(28)24-22(30)27(21(23)29)14-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,24,28,30)/t19-,23-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1=CC(=C(C=C1CC(O)(P(=O)(O)O)P(=O)(O)O)Cl)Cl
InChI: InChI=1S/C10H13N5O4.C8H10Cl2O7P2/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)/t6-,7+,8+;/m0./s1
SMILES: CN1C[C@H]([C@]2(C1)COC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H18N2O4/c1-20-10-16(13-6-8-14(9-7-13)21(23)24)19(11-20)12-25-17-5-3-2-4-15(17)18(19)22/h2-9,16H,10-12H2,1H3/t16-,19-/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=O)/C=C\C3=CC=CC=C3)O)C
InChI: InChI=1S/C21H20N2O3/c1-21(2)20(25)19(16-12-15(13-22)8-10-17(16)26-21)23-18(24)11-9-14-6-4-3-5-7-14/h3-12,19-20,25H,1-2H3,(H,23,24)/b11-9-/t19-,20+/m1/s1
SMILES: CCC[C@H]1[C@@H](N[C@@H]([C@@H]([C@@]1(CCC)O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C24H33NO/c1-4-12-21-23(20-15-10-7-11-16-20)25-22(19-13-8-6-9-14-19)18(3)24(21,26)17-5-2/h6-11,13-16,18,21-23,25-26H,4-5,12,17H2,1-3H3/t18-,21-,22-,23-,24+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@](C[C@@H]4[C@@]3(CCC=C4)C)(C)O)C
InChI: InChI=1S/C28H48O/c1-19(2)10-9-11-20(3)22-13-14-23-25-24(15-17-27(22,23)5)26(4)16-8-7-12-21(26)18-28(25,6)29/h7,12,19-25,29H,8-11,13-18H2,1-6H3/t20-,21-,22-,23+,24+,25+,26+,27-,28-/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[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
InChI: InChI=1S/C32H27ClFN5O5/c1-17-15-18(3-12-26(17)40)27-23-13-14-37-30(43)36(2)31(44)39(37)25(23)16-24-28(41)38(35-22-10-8-21(34)9-11-22)29(42)32(24,27)19-4-6-20(33)7-5-19/h3-13,15,24-25,27,35,40H,14,16H2,1-2H3/t24-,25+,27-,32+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(OC1=O)(C)C)[C@H](C)C(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C19H24O6/c1-6-24-17(21)14-15(19(3,4)25-18(14)22)11(2)16(20)12-7-9-13(23-5)10-8-12/h7-11,14-15H,6H2,1-5H3/t11-,14-,15+/m0/s1
SMILES: C[C@H]1CCC/C=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C)(C)C)O[Si](C)(C)C(C)(C)C)/C(=C/C2=CSC(=N2)C)/C
InChI: InChI=1S/C38H67NO5SSi2/c1-26-21-19-17-18-20-22-31(27(2)23-30-25-45-29(4)39-30)42-33(40)24-32(43-46(13,14)36(5,6)7)38(11,12)35(41)28(3)34(26)44-47(15,16)37(8,9)10/h18,20,23,25-26,28,31-32,34H,17,19,21-22,24H2,1-16H3/b20-18-,27-23+/t26-,28+,31-,32-,34-/m0/s1
SMILES: C1C[C@@]2(C[C@@H](CO2)C3=C(C=C(C=C3)N4C=CN=C4C(F)(F)F)OC(F)F)[C@@H](NC1)C5=CC=CC=C5
InChI: InChI=1S/C25H24F5N3O2/c26-23(27)35-20-13-18(33-12-11-32-22(33)25(28,29)30)7-8-19(20)17-14-24(34-15-17)9-4-10-31-21(24)16-5-2-1-3-6-16/h1-3,5-8,11-13,17,21,23,31H,4,9-10,14-15H2/t17-,21-,24+/m0/s1
SMILES: CC1([C@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C
InChI: InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/p-2/t9-,10-,11-,14+/m1/s1
SMILES: CC(C)([C@@H]1CCCC[C@H]1OC(=O)N2CCCC[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H35NO2/c1-27(2,22-15-7-4-8-16-22)23-17-9-10-19-25(23)30-26(29)28-20-12-11-18-24(28)21-13-5-3-6-14-21/h3-8,13-16,23-25H,9-12,17-20H2,1-2H3/t23-,24-,25-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C20H20ClN3O3/c1-12-3-5-17-14(9-12)16-11-22(2)8-7-18(16)23(17)20(25)15-10-13(21)4-6-19(15)24(26)27/h3-6,9-10,16,18H,7-8,11H2,1-2H3/p+1/t16-,18+/m1/s1
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)[C@@H]2[C@H](CNC2=O)C3=CC=CC=C3)O
InChI: InChI=1S/C19H19N3O4/c1-26-16-8-7-12(9-15(16)23)10-21-22-19(25)17-14(11-20-18(17)24)13-5-3-2-4-6-13/h2-10,14,17,23H,11H2,1H3,(H,20,24)(H,22,25)/t14-,17-/m1/s1
SMILES: CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)NCC4=CN=CC=C4)C5=C2C1=CC=C5
InChI: InChI=1S/C25H30N4O/c1-16(2)29-15-18-11-23-21(20-7-4-8-22(29)24(18)20)10-19(14-28(23)3)25(30)27-13-17-6-5-9-26-12-17/h4-9,12,15-16,19,21,23H,10-11,13-14H2,1-3H3,(H,27,30)/t19-,21-,23-/m1/s1
SMILES: COC1=CC(=C(C=C1)O)[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)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C40H29Cl2F3N4O9/c1-58-21-7-11-29(50)26(14-21)32-22-9-10-24-31(36(54)48(34(24)52)20-6-8-23(37(55)56)30(51)13-20)25(22)15-27-35(53)49(38(57)39(27,32)17-2-4-19(41)5-3-17)47-33-28(42)12-18(16-46-33)40(43,44)45/h2-9,11-14,16,24-25,27,31-32,50-51H,10,15H2,1H3,(H,46,47)(H,55,56)/t24-,25+,27-,31-,32+,39+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=S)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H25N3OS/c23-18(15-4-2-1-3-5-15)21-8-10-22(11-9-21)19(24)20-17-13-14-6-7-16(17)12-14/h1-5,14,16-17H,6-13H2,(H,20,24)/t14-,16+,17-/m0/s1
SMILES: CC(C)(C)OC(=O)CN1CC[C@@H]([C@H](C1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CNC6=CC=CC=C65
InChI: InChI=1S/C34H35N3O5/c1-34(2,3)42-30(38)19-37-17-16-26(27-18-35-29-15-9-8-14-25(27)29)31(32(37)39)36-33(40)41-20-28-23-12-6-4-10-21(23)22-11-5-7-13-24(22)28/h4-15,18,26,28,31,35H,16-17,19-20H2,1-3H3,(H,36,40)/t26-,31-/m1/s1
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O
InChI: InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)[C@H](CC6=CC=CC=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79)CCCC(=O)O
InChI: InChI=1S/C54H52N2O8/c1-54(30-16-29-49(57)58)63-50(47(31-35-17-4-2-5-18-35)55-52(59)61-33-45-41-25-12-8-21-37(41)38-22-9-13-26-42(38)45)51(64-54)48(32-36-19-6-3-7-20-36)56-53(60)62-34-46-43-27-14-10-23-39(43)40-24-11-15-28-44(40)46/h2-15,17-28,45-48,50-51H,16,29-34H2,1H3,(H,55,59)(H,56,60)(H,57,58)/t47-,48-,50+,51+/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@@H](C2)C3=CC(=C(C=C3)Cl)Cl)CO
InChI: InChI=1S/C15H19Cl2NO/c1-18-10-3-5-15(18)12(8-19)11(7-10)9-2-4-13(16)14(17)6-9/h2,4,6,10-12,15,19H,3,5,7-8H2,1H3/t10-,11-,12+,15+/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=C(C=C6OC)OC)O)Cl)C7=CC=C(C=C7)F)Cl)(O)O
InChI: InChI=1S/C34H28BCl2FN2O9/c1-48-20-13-24(41)27(25(14-20)49-2)28-21-10-11-22-26(30(43)39(29(22)42)19-5-3-4-16(12-19)35(46)47)23(21)15-33(36)31(44)40(32(45)34(28,33)37)18-8-6-17(38)7-9-18/h3-10,12-14,22-23,26,28,41,46-47H,11,15H2,1-2H3/t22-,23+,26-,28+,33+,34-/m0/s1
SMILES: C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2[C@H](C)C4=CC=CC=C4)C)C=C(C=C3)O
InChI: InChI=1S/C22H27NO/c1-15-21-13-18-9-10-19(24)14-20(18)22(15,3)11-12-23(21)16(2)17-7-5-4-6-8-17/h4-10,14-16,21,24H,11-13H2,1-3H3/t15-,16-,21+,22+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C[C@@H](C[C@H]4[C@]1(C3=O)CCC4)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H44O2Si/c1-16-12-20-21(24(20,5)6)19-14-17(15-27-28(7,8)23(2,3)4)13-18-10-9-11-25(16,18)22(19)26/h16-21H,9-15H2,1-8H3/t16-,17-,18+,19+,20-,21+,25+/m1/s1
SMILES: CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@H]3CCCC[C@H]3C(=O)O
InChI: InChI=1S/C21H30N2O4S/c1-21(2,3)11-8-9-14-15(10-11)28-19(16(14)17(22)24)23-18(25)12-6-4-5-7-13(12)20(26)27/h11-13H,4-10H2,1-3H3,(H2,22,24)(H,23,25)(H,26,27)/t11-,12+,13-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]([C@@H]1[C@@H]2CC[C@@H](N2C)C[C@@H]1O)C3=CC=CC=C3
InChI: InChI=1S/C21H35NO2Si/c1-21(2,3)25(5,6)24-20(15-10-8-7-9-11-15)19-17-13-12-16(22(17)4)14-18(19)23/h7-11,16-20,23H,12-14H2,1-6H3/t16-,17+,18+,19-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)N=C2N(C(=O)[C@@]3(O2)CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=CC(=O)CC[C@]56C)C)C7=CC=C(C=C7)C
InChI: InChI=1S/C35H40N2O3/c1-22-5-10-25(11-6-22)36-32-37(26-12-7-23(2)8-13-26)31(39)35(40-32)20-17-30-28-14-9-24-21-27(38)15-18-33(24,3)29(28)16-19-34(30,35)4/h5-8,10-13,21,28-30H,9,14-20H2,1-4H3/t28-,29+,30+,33+,34+,35+/m1/s1
SMILES: CC(=C)[C@@H]1C[C@@]2(C[C@H]1C(OC2)(C)C)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H26O3/c1-14(2)16-10-20(11-17(16)19(3,4)23-13-20)12-22-18(21)15-8-6-5-7-9-15/h5-9,16-17H,1,10-13H2,2-4H3/t16-,17+,20+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2CC3CC[C@H]([C@@H]2C(=O)OC)N3C
InChI: InChI=1S/C20H29NO2/c1-20(2,3)14-8-6-13(7-9-14)16-12-15-10-11-17(21(15)4)18(16)19(22)23-5/h6-9,15-18H,10-12H2,1-5H3/t15?,16-,17-,18-/m1/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)C#N
InChI: InChI=1S/C12H15NO7/c1-6(14)18-10-5-17-9(4-13)11(19-7(2)15)12(10)20-8(3)16/h9-12H,5H2,1-3H3/t9-,10+,11-,12+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1CC([C@@H]([C@H]1CCC=C)CCCCCCC(=O)OC)O
InChI: InChI=1S/C23H44O4Si/c1-8-9-14-19-18(15-12-10-11-13-16-22(25)26-5)20(24)17-21(19)27-28(6,7)23(2,3)4/h8,18-21,24H,1,9-17H2,2-7H3/t18-,19-,20?,21?/m1/s1
SMILES: C[C@@H]([C@@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)O[C@@H]4C=C[C@@H]([C@H](O4)COC(=O)C)OC(=O)C
InChI: InChI=1S/C28H31NO8/c1-17(35-25-15-14-23(36-19(3)31)24(37-25)16-34-18(2)30)26-27(20-8-6-5-7-9-20)29(28(26)32)21-10-12-22(33-4)13-11-21/h5-15,17,23-27H,16H2,1-4H3/t17-,23-,24+,25-,26+,27-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CI)OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H29IO6/c1-31-28-26(33-19-21-13-7-3-8-14-21)25(32-18-20-11-5-2-6-12-20)24(23(17-29)34-28)35-27(30)22-15-9-4-10-16-22/h2-16,23-26,28H,17-19H2,1H3/t23-,24-,25+,26-,28+/m1/s1
SMILES: CCCC(=O)O[C@@H]1[C@H]([C@@]2(CC(=O)CC(=C[C@H]2[C@H]3[C@@]1(C3(C)C)OC(=O)CCC)CO)O)C
InChI: InChI=1S/C24H36O7/c1-6-8-18(27)30-21-14(3)23(29)12-16(26)10-15(13-25)11-17(23)20-22(4,5)24(20,21)31-19(28)9-7-2/h11,14,17,20-21,25,29H,6-10,12-13H2,1-5H3/t14-,17+,20-,21-,23-,24-/m1/s1
SMILES: C(CC(=O)O)C(C(=O)O)/[N+](=C/[C@@H]([C@@H](CO)O[C@@H](CC(=O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO
InChI: InChI=1S/C19H31NO16/c21-5-10(34-14(28)3-13(26)27)9(4-20(7-23)8(18(32)33)1-2-12(24)25)35-19-17(31)16(30)15(29)11(6-22)36-19/h4,8-11,14-17,19,21-23,28-31H,1-3,5-7H2,(H2-,24,25,26,27,32,33)/p+1/b20-4+/t8?,9-,10+,11+,14-,15+,16-,17+,19-/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3([C@H](CC[C@@](C3CC2)(C)CO)O)C
InChI: InChI=1S/C20H30O2/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(3,12-21)10-9-18(22)20(16,17)4/h5,7,11,13,17-18,21-22H,6,8-10,12H2,1-4H3/t17?,18-,19-,20+/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)CO[C@@H](O3)C4=CC=CC=C4)O)O)O)O
InChI: InChI=1S/C27H44O11Si/c1-14(2)27(3,4)39(5,6)38-26-21(32)19(30)22(16(12-28)34-26)37-25-20(31)18(29)23-17(35-25)13-33-24(36-23)15-10-8-7-9-11-15/h7-11,14,16-26,28-32H,12-13H2,1-6H3/t16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=CC=C6)O)C(=O)N(C5=O)C7=CC=C(C=C7)C=C)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H33Cl2N3O6/c1-3-22-7-12-26(13-8-22)45-37(48)30-17-16-29-31(35(30)39(45)50)21-32-38(49)46(44-34-18-11-25(42)20-33(34)43)40(51)41(32,24-9-14-28(52-2)15-10-24)36(29)23-5-4-6-27(47)19-23/h3-16,18-20,30-32,35-36,44,47H,1,17,21H2,2H3/t30-,31+,32-,35-,36-,41+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC5=CC=C(C=C5)C(=O)OC)C
InChI: InChI=1S/C24H32O7/c1-14-5-10-19-15(2)21(27-13-16-6-8-17(9-7-16)20(25)26-4)28-22-24(19)18(14)11-12-23(3,29-22)30-31-24/h6-9,14-15,18-19,21-22H,5,10-13H2,1-4H3/t14-,15-,18+,19+,21?,22-,23-,24-/m1/s1