EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1[C@H](O[C@H]([C@H]([C@H]1OCC2=CC=CC=C2)OC)O[C@H]3[C@@H]([C@@H]([C@H](CO3)OC(=O)CCl)O)OCC4=CC=CC=C4)COC
InChI: InChI=1S/C38H57ClO11Si/c1-24(2)51(25(3)4,26(5)6)50-33-30(22-42-7)48-38(36(43-8)35(33)45-21-28-17-13-10-14-18-28)49-37-34(44-20-27-15-11-9-12-16-27)32(41)29(23-46-37)47-31(40)19-39/h9-18,24-26,29-30,32-38,41H,19-23H2,1-8H3/t29-,30+,32+,33+,34+,35-,36-,37-,38-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC=C)C3=CC4=C(C=C3)SC5=CC=CC=C54)OC(=O)OCC=C
InChI: InChI=1S/C28H25NO6S/c1-4-12-33-27(31)25-19(17-10-11-23-20(14-17)18-8-6-7-9-22(18)36-23)15-21-24(26(30)29(21)25)16(3)35-28(32)34-13-5-2/h4-11,14,16,21,24H,1-2,12-13,15H2,3H3/t16-,21-,24-/m1/s1
SMILES: C1CC[C@H]([C@H]2CN(C[C@H]2C1)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F)N
InChI: InChI=1S/C22H25F2N3O3/c23-16-7-13-19(27(12-5-6-12)10-15(21(13)28)22(29)30)18(24)20(16)26-8-11-3-1-2-4-17(25)14(11)9-26/h7,10-12,14,17H,1-6,8-9,25H2,(H,29,30)/t11-,14+,17-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H](C(C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(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\C4=CN=C5C=CC(=CC5=C4)C(=O)N)C)C)C(=C)CO2)C
InChI: InChI=1S/C45H63N3O10/c1-12-35-45(9)36(25(3)23-55-45)27(5)37(49)24(2)21-44(8,54-17-13-14-30-19-32-20-31(41(46)52)15-16-33(32)47-22-30)40(28(6)38(50)29(7)42(53)57-35)58-43-39(51)34(48(10)11)18-26(4)56-43/h13-16,19-20,22,24,26-29,34-36,39-40,43,51H,3,12,17-18,21,23H2,1-2,4-11H3,(H2,46,52)/b14-13-/t24-,26-,27?,28+,29?,34+,35-,36+,39-,40-,43+,44-,45-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C
InChI: InChI=1S/C17H26N4O5/c1-10(2)8-20-14(23)15(24)21(17(20)26)9-13(22)19-16(25)18-12-7-5-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H2,18,19,22,25)/t11-,12-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C[C@H](COCC3=CC=CC=C3)O)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5CCCCC5)C
InChI: InChI=1S/C43H63NO6/c1-32-12-10-22-42(2)40(38-20-18-34(26-36(45)19-17-32)27-39(38)41(47)35-15-8-5-9-16-35)21-23-43(42,48)31-44(24-11-25-49-3)28-37(46)30-50-29-33-13-6-4-7-14-33/h4,6-7,12-14,18,20,27,35-37,40,45-46,48H,5,8-11,15-17,19,21-26,28-31H2,1-3H3/t36-,37+,40-,42-,43+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N
InChI: InChI=1S/C17H21F3N2O3/c1-10-4-2-3-5-14(10)22-15(23)9-25-16(24)12-7-6-11(8-13(12)21)17(18,19)20/h6-8,10,14H,2-5,9,21H2,1H3,(H,22,23)/t10-,14+/m0/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)C4=CC=CC=C4CNC(=O)CCCCCNC(=O)C)CSC5=CC=CC=C5C(=O)O
InChI: InChI=1S/C41H46N2O7S/c1-27-36(26-51-37-13-8-7-12-35(37)40(47)48)49-41(50-39(27)31-17-15-29(25-44)16-18-31)32-21-19-30(20-22-32)34-11-6-5-10-33(34)24-43-38(46)14-4-3-9-23-42-28(2)45/h5-8,10-13,15-22,27,36,39,41,44H,3-4,9,14,23-26H2,1-2H3,(H,42,45)(H,43,46)(H,47,48)/t27-,36+,39+,41+/m0/s1
SMILES: C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=C(SC(=N3)C)[Si](C)(C)C)/C
InChI: InChI=1S/C29H47NO6SSi/c1-16-11-10-12-21-23(35-21)14-22(17(2)13-20-28(38(7,8)9)37-19(4)30-20)36-25(32)15-24(31)29(5,6)27(34)18(3)26(16)33/h13,16,18,21-24,26,31,33H,10-12,14-15H2,1-9H3/b17-13+/t16-,18+,21+,22-,23-,24-,26-/m0/s1
SMILES: C1C[NH2+][C@H]2[C@@H]1NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C18H17N3O3/c22-17-16-15(10-11-19-16)20-18(23)21(17)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9,15-16,19H,10-11H2,(H,20,23)/p+1/t15-,16+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2CO)C=CC4=C(CC=C[C@]34C)O
InChI: InChI=1S/C20H28O2/c1-19-11-9-16-14(15(19)7-5-13(19)12-21)6-8-17-18(22)4-3-10-20(16,17)2/h3,6,8,10,13-16,21-22H,4-5,7,9,11-12H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]3C[C@H](N(C3)C(=N)C)C(=O)N)O
InChI: InChI=1S/C16H22N4O5S/c1-6(21)12-9-4-11(13(16(24)25)20(9)15(12)23)26-8-3-10(14(18)22)19(5-8)7(2)17/h6,8-10,12,17,21H,3-5H2,1-2H3,(H2,18,22)(H,24,25)/t6-,8+,9-,10+,12-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OCN2C=CN([C]2)C)C(C)C.C[C@@H]1CC[C@H]([C@@H](C1)OCN2C=CN([C]2)C)C(C)C.Cl[Au]
InChI: InChI=1S/2C15H26N2O.Au.ClH/c2*1-12(2)14-6-5-13(3)9-15(14)18-11-17-8-7-16(4)10-17;;/h2*7-8,12-15H,5-6,9,11H2,1-4H3;;1H/q;;+1;/p-1/t2*13-,14+,15-;;/m11../s1
SMILES: CC(=O)NC1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2C=CC3)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C20H18Cl2N2O/c1-11(25)23-12-8-9-18-16(10-12)13-4-2-5-14(13)20(24-18)15-6-3-7-17(21)19(15)22/h2-4,6-10,13-14,20,24H,5H2,1H3,(H,23,25)/t13-,14+,20+/m1/s1
SMILES: CO/C=C(/[C@H]1C=CC[C@H]([C@@H]1C(=O)OC)C(=O)OC)\C2=CC=CC=C2
InChI: InChI=1S/C19H22O5/c1-22-12-16(13-8-5-4-6-9-13)14-10-7-11-15(18(20)23-2)17(14)19(21)24-3/h4-10,12,14-15,17H,11H2,1-3H3/b16-12+/t14-,15-,17-/m1/s1
SMILES: CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O
InChI: InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20+,22+,24+,25-,27-,31+,32-/m0/s1
SMILES: CCCCCC[C@H](/C=C/[C@@H]1CCCC[C@]12CC[C@H](N2C(=O)OC(C)(C)C)COCC3=CC=CC=C3)O
InChI: InChI=1S/C31H49NO4/c1-5-6-7-11-17-28(33)19-18-26-16-12-13-21-31(26)22-20-27(32(31)29(34)36-30(2,3)4)24-35-23-25-14-9-8-10-15-25/h8-10,14-15,18-19,26-28,33H,5-7,11-13,16-17,20-24H2,1-4H3/b19-18+/t26-,27-,28+,31-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(C)(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChI: InChI=1S/C17H26N2O5/c1-10(16(23)24-9-13(20)18-17(2,3)4)19-14(21)11-7-5-6-8-12(11)15(19)22/h10-12H,5-9H2,1-4H3,(H,18,20)/t10-,11+,12+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C18H23NO5/c1-12-5-3-4-6-15(12)19-16(20)11-24-18(22)14-9-7-13(8-10-14)17(21)23-2/h7-10,12,15H,3-6,11H2,1-2H3,(H,19,20)/t12-,15+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=COC=C3)C[C@H](C=C2C(=O)OC)O)C
InChI: InChI=1S/C21H30O4/c1-14-5-8-21(3)17(19(23)24-4)11-16(22)12-18(21)20(14,2)9-6-15-7-10-25-13-15/h7,10-11,13-14,16,18,22H,5-6,8-9,12H2,1-4H3/t14-,16+,18-,20+,21+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)O)O
InChI: InChI=1S/C27H34N6O22P2/c34-7-10-20(18(40)23(51-10)32-5-2-14(36)29-26(32)43)54-57(47,48)50-9-12-21(19(41)24(53-12)33-6-3-15(37)30-27(33)44)55-56(45,46)49-8-11-16(38)17(39)22(52-11)31-4-1-13(35)28-25(31)42/h1-6,10-12,16-24,34,38-41H,7-9H2,(H,45,46)(H,47,48)(H,28,35,42)(H,29,36,43)(H,30,37,44)/t10-,11-,12-,16-,17-,18-,19-,20?,21?,22-,23-,24-/m1/s1
SMILES: C[C@]12CCC3C(C1CCC[C@H]2F)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N
InChI: InChI=1S/C20H28FNO4S/c1-20-9-8-13-14(16(20)4-3-5-19(20)21)7-6-12-10-18(26-27(22,23)24)17(25-2)11-15(12)13/h10-11,13-14,16,19H,3-9H2,1-2H3,(H2,22,23,24)/t13?,14?,16?,19-,20+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@]3([C@@](CCO3)([C@H](O2)CO)O)OC
InChI: InChI=1S/C13H18N2O7/c1-7-5-15(11(18)14-9(7)17)10-13(20-2)12(19,3-4-21-13)8(6-16)22-10/h5,8,10,16,19H,3-4,6H2,1-2H3,(H,14,17,18)/t8-,10-,12-,13-/m1/s1
SMILES: CC1=CC(=CC=C1)C(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@H]3S2)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H17FN2O3S2/c1-12-3-2-4-13(9-12)18(23)21-19-22(15-7-5-14(20)6-8-15)16-10-27(24,25)11-17(16)26-19/h2-9,16-17H,10-11H2,1H3/t16-,17-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC[C@]25CO5)CO)OC(=O)C
InChI: InChI=1S/C22H28O7/c1-13-8-18(28-14(2)24)22(11-23)17(4-3-6-20(22)12-27-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-18,23H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,18+,20+,21-,22+/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC7=CC=CC=C7C=C6)CCCCO)CCCCO)N(CC8=CC=CC9=CC=CC=C98)C(=O)OCCCl
InChI: InChI=1S/C58H61ClN2O8/c1-2-32-66-58-54(61(57(64)65-33-29-59)38-45-22-14-21-42-18-8-9-23-48(42)45)37-52(60-67-39-40-15-4-3-5-16-40)50-35-44(20-10-12-30-62)49(24-11-13-31-63)55(56(50)58)51-36-47(27-28-53(51)69-58)68-46-26-25-41-17-6-7-19-43(41)34-46/h2-9,14-19,21-23,25-28,34-36,44,49,54-56,62-63H,1,10-13,20,24,29-33,37-39H2/t44-,49+,54-,55+,56+,58+/m0/s1
SMILES: CCCCCCCCC(=O)[C@@H]1[C@@H](N1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C30H37NO3S/c1-5-6-7-8-9-10-15-27(32)29-28(26-17-16-24-13-11-12-14-25(24)20-26)31(29)35(33,34)30-22(3)18-21(2)19-23(30)4/h11-14,16-20,28-29H,5-10,15H2,1-4H3/t28-,29+,31?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](C=C4[C@@]3(CC[C@H](C4)O)C)O
InChI: InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13+,14+,15+,17+,18+,19+/m1/s1
SMILES: CCNC(=O)OC[C@H]1[C@H]([C@@H]1C(=O)O)[C@H](C(=O)O)N
InChI: InChI=1S/C10H16N2O6/c1-2-12-10(17)18-3-4-5(6(4)8(13)14)7(11)9(15)16/h4-7H,2-3,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)/t4-,5+,6+,7+/m0/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H](C3=O)O2)OCOC)C)COCOC
InChI: InChI=1S/C18H28O6/c1-12-5-6-18(9-22-10-20-3)15(7-12)24-13-8-14(23-11-21-4)17(18,2)16(13)19/h7,13-15H,5-6,8-11H2,1-4H3/t13-,14-,15-,17+,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(C)(C)C)CC[C@]4([C@@]3(C[C@H](O4)OC)C)C=O
InChI: InChI=1S/C23H38O4/c1-20(2,3)26-18-8-7-16-15-9-12-23(14-24)22(5,13-19(25-6)27-23)17(15)10-11-21(16,18)4/h14-19H,7-13H2,1-6H3/t15-,16-,17-,18-,19-,21-,22+,23+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C17H17NO4/c19-15(22-11-12-6-2-1-3-7-12)10-18-16(20)13-8-4-5-9-14(13)17(18)21/h1-7,13-14H,8-11H2/t13-,14-/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCN5CC5)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C48H57FN4O9/c1-3-27-61-48-44(52(32-34-10-15-36(49)16-11-34)45(56)21-14-33-12-17-37(18-13-33)53(57)58)31-42(50-59-2)40-29-35(8-4-6-25-54)39(9-5-7-26-55)46(47(40)48)41-30-38(19-20-43(41)62-48)60-28-24-51-22-23-51/h3,10-21,29-30,35,39,44,46-47,54-55H,1,4-9,22-28,31-32H2,2H3/t35-,39+,44-,46+,47+,48+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C[C@@H](CCl)O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C(C)C
InChI: InChI=1S/C23H44ClO4P/c1-15(2)20-9-7-17(5)11-22(20)27-29(26,14-19(25)13-24)28-23-12-18(6)8-10-21(23)16(3)4/h15-23,25H,7-14H2,1-6H3/t17-,18-,19-,20+,21+,22-,23-/m1/s1
SMILES: C[C@H]1[C@@H](C(=C2N([C@@H]1C3=CC=C(C=C3)OC)C4=CC=CC=C4S2)C#N)C5=CC=CC=C5
InChI: InChI=1S/C26H22N2OS/c1-17-24(18-8-4-3-5-9-18)21(16-27)26-28(22-10-6-7-11-23(22)30-26)25(17)19-12-14-20(29-2)15-13-19/h3-15,17,24-25H,1-2H3/t17-,24+,25-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)CO[C@]1\2[C@H]3CCCC(=C)[C@@]3(CC[C@]1(CC/C2=C\C)C)C
InChI: InChI=1S/C19H29O.3C4H9.Sn/c1-6-15-10-11-17(3)12-13-18(4)14(2)8-7-9-16(18)19(15,17)20-5;3*1-3-4-2;/h6,16H,2,5,7-13H2,1,3-4H3;3*1,3-4H2,2H3;/b15-6+;;;;/t16-,17+,18-,19+;;;;/m0..../s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)C[C@H]4[C@H](CCN4C(=O)C5=CC=CO5)C(=O)NO
InChI: InChI=1S/C28H27N3O7S/c1-18-15-19(22-5-2-3-6-24(22)29-18)16-38-20-8-10-21(11-9-20)39(35,36)17-25-23(27(32)30-34)12-13-31(25)28(33)26-7-4-14-37-26/h2-11,14-15,23,25,34H,12-13,16-17H2,1H3,(H,30,32)/t23-,25-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)OC3=CCCC(=C3)C)C(C)C
InChI: InChI=1S/C27H47O4P/c1-18(2)24-13-11-21(6)16-26(24)30-32(28,29-23-10-8-9-20(5)15-23)31-27-17-22(7)12-14-25(27)19(3)4/h10,15,18-19,21-22,24-27H,8-9,11-14,16-17H2,1-7H3/t21-,22-,24+,25+,26-,27-/m1/s1
SMILES: C[C@H]1C[C@H]([C@H]([C@@H]([C@@H]1OCC2=CC=CC=C2)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C21H26O4/c1-15-12-18(24-13-16-8-4-2-5-9-16)19(22)20(23)21(15)25-14-17-10-6-3-7-11-17/h2-11,15,18-23H,12-14H2,1H3/t15-,18+,19+,20-,21+/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)COC(=O)C)O)C
InChI: InChI=1S/C30H40O7/c1-16-13-24(36-26(33)17(16)2)28(5,34)22-9-8-21-19-14-25-30(37-25)11-6-7-23(32)27(30,4)20(19)10-12-29(21,22)15-35-18(3)31/h6-7,19-22,24-25,34H,8-15H2,1-5H3/t19-,20+,21+,22-,24-,25-,27+,28-,29-,30-/m1/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C
InChI: InChI=1S/C20H24N2O3/c1-13-10-14(2)12-15(11-13)21-18(23)8-5-9-22-19(24)16-6-3-4-7-17(16)20(22)25/h3-4,10-12,16-17H,5-9H2,1-2H3,(H,21,23)/t16-,17-/m1/s1
SMILES: CC1=CC=CC=C1N2[C@@H]([C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)[O-])CC(=C)C
InChI: InChI=1S/C20H21NO4/c1-11(2)10-15-20-9-8-14(25-20)16(19(23)24)17(20)18(22)21(15)13-7-5-4-6-12(13)3/h4-9,14-17H,1,10H2,2-3H3,(H,23,24)/p-1/t14-,15-,16+,17-,20-/m1/s1
SMILES: CCCCCCC[C@@H]1CCC(=O)[C@H]1C(=C)OC2=C(C=C(C=C2C)C)C
InChI: InChI=1S/C23H34O2/c1-6-7-8-9-10-11-20-12-13-21(24)22(20)19(5)25-23-17(3)14-16(2)15-18(23)4/h14-15,20,22H,5-13H2,1-4H3/t20-,22+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)[NH2+]CCOC2=CC=C(C=C2)OC
InChI: InChI=1S/C17H27NO2/c1-13-5-4-6-17(14(13)2)18-11-12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3/p+1/t13-,14-,17+/m1/s1
SMILES: C1CC(=O)N(C1)[C@@H]2CC[C@]3([C@H]4CC5=C6[C@]3([C@@H]2OC6=C(C=C5)O)CCN4CC7CC7)O.Cl
InChI: InChI=1S/C24H30N2O4.ClH/c27-17-6-5-15-12-18-24(29)8-7-16(26-10-1-2-19(26)28)22-23(24,20(15)21(17)30-22)9-11-25(18)13-14-3-4-14;/h5-6,14,16,18,22,27,29H,1-4,7-13H2;1H/t16-,18-,22-,23+,24-;/m1./s1
SMILES: CC(C)(C)OC(=O)CN(C[C@@H](CC1=CC=C(C=C1)NC(=O)CCCC(=O)ON2C(=O)CCC2=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)[C@H]3CCCC[C@@H]3N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChI: InChI=1S/C54H85N5O15/c1-50(2,3)69-45(64)31-56(32-46(65)70-51(4,5)6)38(29-36-23-25-37(26-24-36)55-41(60)21-18-22-44(63)74-59-42(61)27-28-43(59)62)30-57(33-47(66)71-52(7,8)9)39-19-16-17-20-40(39)58(34-48(67)72-53(10,11)12)35-49(68)73-54(13,14)15/h23-26,38-40H,16-22,27-35H2,1-15H3,(H,55,60)/t38-,39+,40+/m1/s1
SMILES: CC#C[C@@]1(CC[C@H]2[C@@]1(C[C@H](C3=C4CC[C@@H](C=C4CC[C@@H]23)O)C5=CC=C(C=C5)N(C)C)C)O
InChI: InChI=1S/C29H37NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,22,24-26,31-32H,8,11-14,16,18H2,1-4H3/t22-,24-,25-,26+,28-,29-/m0/s1
SMILES: CCOC1=CC=C(C=C1)CN(C)C(=O)CN2C(=O)[C@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C21H29N3O4/c1-4-28-17-10-8-16(9-11-17)13-23(3)18(25)14-24-19(26)21(22-20(24)27)12-6-5-7-15(21)2/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,27)/t15-,21+/m0/s1
SMILES: CCCCCCCCSC[C@H]([C@H](CS[C@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N)O)O
InChI: InChI=1S/C23H42N2O9S2/c1-2-3-4-5-6-7-8-35-11-16(27)17(28)12-36-21-13(9-15(26)19(31)20(21)32)23(34)25-14(22(24)33)10-18(29)30/h13-17,19-21,26-28,31-32H,2-12H2,1H3,(H2,24,33)(H,25,34)(H,29,30)/t13-,14-,15+,16+,17-,19-,20-,21-/m0/s1
SMILES: CC1(O[C@H]2CO[C@@H]([C@H]([C@H]2O1)O[Si](C)(C)C(C)(C)C)OC)C
InChI: InChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-12-11-10(9-17-13(12)16-6)18-15(4,5)19-11/h10-13H,9H2,1-8H3/t10-,11-,12-,13-/m0/s1
SMILES: C[C@@H](C1=CC2(C=C[C@H]3[C@@H]2[C@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)O)OC(=O)C)OC(=O)C)OC1=O)OC(=O)C
InChI: InChI=1S/C34H38O15/c1-17(44-18(2)35)23-13-34(49-31(23)40)12-11-22-24(30(39)41-5)15-43-32(26(22)34)48-33-29(46-20(4)37)28(45-19(3)36)27(38)25(47-33)16-42-14-21-9-7-6-8-10-21/h6-13,15,17,22,25-29,32-33,38H,14,16H2,1-5H3/t17-,22+,25+,26+,27+,28-,29+,32+,33-,34?/m0/s1
SMILES: CC1(O[C@@H]([C@@H]([C@@H](O1)[C@H](C(=O)N[C@H]2CC[C@H](CNC2=O)OC(=O)C3CCCCC3)OC)O)/C=C/C(C)(C)C)C
InChI: InChI=1S/C28H46N2O8/c1-27(2,3)15-14-20-21(31)22(38-28(4,5)37-20)23(35-6)25(33)30-19-13-12-18(16-29-24(19)32)36-26(34)17-10-8-7-9-11-17/h14-15,17-23,31H,7-13,16H2,1-6H3,(H,29,32)(H,30,33)/b15-14+/t18-,19+,20-,21+,22-,23-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CO)O)O)O)Cl
InChI: InChI=1S/C12H20Cl2O9/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,15-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
SMILES: C[C@@H]([C@@]1(CCC2=C1CC[C@H]3[C@H]2CC[C@@]4([C@@]3(CC[C@H](C4)OC(=O)C)C)C)C)OC(=O)C
InChI: InChI=1S/C26H40O4/c1-16(29-17(2)27)25(5)13-11-20-21-10-12-24(4)15-19(30-18(3)28)9-14-26(24,6)23(21)8-7-22(20)25/h16,19,21,23H,7-15H2,1-6H3/t16-,19+,21-,23-,24-,25-,26+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C18H21NO5/c1-2-24-18(23)10-5-7-13(8-6-10)19-16(20)14-11-3-4-12(9-11)15(14)17(21)22/h5-8,11-12,14-15H,2-4,9H2,1H3,(H,19,20)(H,21,22)/t11-,12+,14+,15+/m1/s1
SMILES: CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31?,32-,33?,37-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CN(N=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H25N5OS/c1-13-7-6-10-17(14(13)2)21-19(26)23-22-18(25)15-11-20-24(12-15)16-8-4-3-5-9-16/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,22,25)(H2,21,23,26)/t13-,14-,17+/m1/s1
SMILES: C[C@H]1[C@@H](C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2CC(=O)OC)C(=C5C)C(=O)OC)N4)C=C)C)CCO)C)CCC(=O)OC
InChI: InChI=1S/C37H42N4O7/c1-9-22-18(2)27-16-31-23(12-13-42)19(3)26(39-31)15-28-20(4)24(10-11-32(43)46-6)35(40-28)25(14-33(44)47-7)36-34(37(45)48-8)21(5)29(41-36)17-30(22)38-27/h9,15-17,20,24,38-39,42H,1,10-14H2,2-8H3/t20-,24-/m0/s1
SMILES: C1[C@H]([C@@H]2CO[C@H](C1=O)O2)N3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5
InChI: InChI=1S/C21H18ClN3O3S/c22-15-8-6-14(7-9-15)19-23-25(16-10-17(26)20-27-12-18(16)28-20)21(29)24(19)11-13-4-2-1-3-5-13/h1-9,16,18,20H,10-12H2/t16-,18+,20+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@]4([C@@H](CO3)OC[C@H]([C@H]4O2)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C27H28N2O7/c1-17-12-29(26(31)28-24(17)30)25-23-27(35-14-19-10-6-3-7-11-19)21(16-34-23)33-15-20(22(27)36-25)32-13-18-8-4-2-5-9-18/h2-12,20-23,25H,13-16H2,1H3,(H,28,30,31)/t20-,21-,22-,23-,25-,27-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H33NO6Si/c1-18(33-34(5,6)26(2,3)4)21-22(28)27(17-31-24(29)19-13-9-7-10-14-19)23(21)32-25(30)20-15-11-8-12-16-20/h7-16,18,21,23H,17H2,1-6H3/t18-,21+,23-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](CC=C([C@@H]2C4=C(C(=CC=C4)F)O)C=C)C(=O)N(C3=O)NC5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C29H23Cl2FN2O4/c1-3-16-7-13-21-27(36)34(33-24-14-10-18(30)15-22(24)31)28(37)29(21,17-8-11-19(38-2)12-9-17)25(16)20-5-4-6-23(32)26(20)35/h3-12,14-15,21,25,33,35H,1,13H2,2H3/t21-,25+,29+/m0/s1
SMILES: CCC[C@H]([C@@H]1C[C@@H]([C@@]2([C@H](O2)CC)[C@H](O1)O)O)C(=O)C3=C(C(=C(C(=C3)[C@@H](C(C)C)OC)OCOC)CO)O
InChI: InChI=1S/C27H42O10/c1-7-9-15(19-11-20(29)27(26(32)36-19)21(8-2)37-27)22(30)16-10-17(24(34-6)14(3)4)25(35-13-33-5)18(12-28)23(16)31/h10,14-15,19-21,24,26,28-29,31-32H,7-9,11-13H2,1-6H3/t15-,19+,20+,21-,24-,26+,27-/m1/s1
SMILES: COCOCCC1CC[C@@]2([C@]1(C(CC2)C=C)O)CC/C=C/CSC3=CC=CC=C3
InChI: InChI=1S/C25H36O3S/c1-3-21-12-16-24(15-8-5-9-19-29-23-10-6-4-7-11-23)17-13-22(25(21,24)26)14-18-28-20-27-2/h3-7,9-11,21-22,26H,1,8,12-20H2,2H3/b9-5+/t21?,22?,24-,25-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\NCCCO)/C4=C(C3=O)O)COC)C)C
InChI: InChI=1S/C26H33NO9/c1-13(29)35-16-10-25(2)15(6-7-17(25)30)19-21(16)26(3)18(12-34-4)36-24(33)14(11-27-8-5-9-28)20(26)23(32)22(19)31/h11,15-16,18,27-28,32H,5-10,12H2,1-4H3/b14-11-/t15-,16+,18+,25-,26-/m0/s1
SMILES: CC1=CC(=NN1)NC(=O)[C@@H]2[C@@H]3C4=CC=CC=C4CCN3C(=O)CC2=O
InChI: InChI=1S/C18H18N4O3/c1-10-8-14(21-20-10)19-18(25)16-13(23)9-15(24)22-7-6-11-4-2-3-5-12(11)17(16)22/h2-5,8,16-17H,6-7,9H2,1H3,(H2,19,20,21,25)/t16-,17-/m0/s1
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OCO4)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI: InChI=1S/C22H27FO6/c1-19-6-5-13(25)7-12(19)3-4-14-15-8-18-22(17(27)10-24,29-11-28-18)20(15,2)9-16(26)21(14,19)23/h5-7,14-16,18,24,26H,3-4,8-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-,22+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O
InChI: InChI=1S/C21H26N2O5/c1-13-6-5-9-17(14(13)2)22-18(24)12-28-20(26)11-23-19(25)10-15-7-3-4-8-16(15)21(23)27/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3,(H,22,24)/t13-,14+,17+/m0/s1
SMILES: CC(C)[C@@H]1C[C@H]([C@H]2[C@]1(CC[C@@]3([C@@]2(CC=C4[C@H]3[C@H](C[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)C)C(=O)O)O
InChI: InChI=1S/C30H46O5/c1-16(2)18-14-20(32)24-29(7)11-8-17-23(28(29,6)12-13-30(18,24)25(34)35)19(31)15-21-26(3,4)22(33)9-10-27(17,21)5/h8,16,18-21,23-24,31-32H,9-15H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,23-,24+,27+,28-,29+,30+/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)[N+](=O)[O-]
InChI: InChI=1S/C40H32ClN5O9/c1-42(2)35-31(45(52)53)18-25(19-32(35)46(54)55)43-36(48)28-16-15-27-29(33(28)38(43)50)20-30-37(49)44(24-10-6-9-23(41)17-24)39(51)40(30,22-7-4-3-5-8-22)34(27)21-11-13-26(47)14-12-21/h3-15,17-19,28-30,33-34,47H,16,20H2,1-2H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C2=CC=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C31H32O6/c1-32-31-30(36-22-25-16-9-4-10-17-25)29(35-21-24-14-7-3-8-15-24)28(27(37-31)26-18-11-19-33-26)34-20-23-12-5-2-6-13-23/h2-19,27-31H,20-22H2,1H3/t27-,28-,29+,30+,31+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H30O3/c1-25-14-21(15-3-7-18(28-2)8-4-15)24-19-10-6-17(26)13-16(19)5-9-20(24)22(25)11-12-23(25)27/h3-4,7-8,13,19-22,24H,5-6,9-12,14H2,1-2H3/t19-,20-,21+,22-,24+,25-/m0/s1
SMILES: C1=CC(=CC=C1[C@@H]2[C@H]([C@H](C3=C(O2)C=C(C=C3)O)O)O)O
InChI: InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,13-19H/t13-,14-,15+/m0/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OC=C5CNC(=O)C6=CN=CC=C6
InChI: InChI=1S/C36H42N4O9S/c1-23(2)19-40(50(44,45)27-10-11-32-29(16-27)26(21-47-32)18-38-34(42)25-9-6-13-37-17-25)20-31(41)30(15-24-7-4-3-5-8-24)39-36(43)49-33-22-48-35-28(33)12-14-46-35/h3-11,13,16-17,21,23,28,30-31,33,35,41H,12,14-15,18-20,22H2,1-2H3,(H,38,42)(H,39,43)/t28-,30-,31+,33?,35+/m0/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)NC(=O)C4=CC=CC=C4)CN(C)CCC5=CC=CC=N5
InChI: InChI=1S/C34H37N3O4/c1-24-31(22-37(2)21-19-29-10-6-7-20-35-29)40-34(41-32(24)26-13-11-25(23-38)12-14-26)28-15-17-30(18-16-28)36-33(39)27-8-4-3-5-9-27/h3-18,20,24,31-32,34,38H,19,21-23H2,1-2H3,(H,36,39)/t24-,31+,32+,34+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CC=C8
InChI: InChI=1S/C41H32BrNO5/c42-27-16-19-34(44)32(20-27)37-28-17-18-29-36(40(48)43(39(29)47)23-24-10-4-1-5-11-24)31(28)21-33-38(46)30(25-12-6-2-7-13-25)22-35(45)41(33,37)26-14-8-3-9-15-26/h1-17,19-20,22,29,31,33,36-37,44H,18,21,23H2/t29-,31+,33-,36-,37+,41-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=C(C=CS3)C#N
InChI: InChI=1S/C18H17N3O5S/c19-9-11-6-8-27-16(11)20-14(22)10-26-15(23)5-7-21-17(24)12-3-1-2-4-13(12)18(21)25/h1-2,6,8,12-13H,3-5,7,10H2,(H,20,22)/t12-,13-/m0/s1
SMILES: CC1=C(C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)S[C@@H]12)C(=O)OCC5=CC=C(C=C5)OC)C
InChI: InChI=1S/C27H26N2O5S/c1-15-16(2)24-21(15)23(27(32)34-14-18-9-11-19(33-3)12-10-18)29-25(31)22(26(29)35-24)28-20(30)13-17-7-5-4-6-8-17/h4-12,22,24,26H,13-14H2,1-3H3,(H,28,30)/t22-,24+,26-/m1/s1
SMILES: CC1CCC2(CC1)[C@@H]3[C@H]([C@@H]4N2CCC4)C(=O)N(C3=O)C5=CC=CC=C5
InChI: InChI=1S/C21H26N2O2/c1-14-9-11-21(12-10-14)18-17(16-8-5-13-22(16)21)19(24)23(20(18)25)15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13H2,1H3/t14?,16-,17+,18-,21?/m1/s1
SMILES: CC1(O[C@@H]2CN([C@@H]([C@H]([C@@H]2O1)OCOC)CO)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C19H27NO7/c1-19(2)26-15-9-20(18(22)24-11-13-7-5-4-6-8-13)14(10-21)16(17(15)27-19)25-12-23-3/h4-8,14-17,21H,9-12H2,1-3H3/t14-,15-,16-,17-/m1/s1
SMILES: C[Si](C)(C)CCS[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI: InChI=1S/C15H25N5O3SSi/c1-25(2,3)5-4-24-12-11(22)9(6-21)23-15(12)20-8-19-10-13(16)17-7-18-14(10)20/h7-9,11-12,15,21-22H,4-6H2,1-3H3,(H2,16,17,18)/t9-,11-,12+,15-/m1/s1
SMILES: CCCCCCC(=O)OC[C@H](CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C16H30O9/c1-2-3-4-5-6-12(19)23-9-10(7-17)24-16-15(22)14(21)13(20)11(8-18)25-16/h10-11,13-18,20-22H,2-9H2,1H3/t10-,11+,13-,14-,15+,16+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)NC2=CC3=CC=CC=C3C=C2)NC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C26H26N2/c1-3-9-21-17-23(15-13-19(21)7-1)27-25-11-5-6-12-26(25)28-24-16-14-20-8-2-4-10-22(20)18-24/h1-4,7-10,13-18,25-28H,5-6,11-12H2/t25-,26-/m1/s1