EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@H]([C@H](O2)N3C=NC4=C3N=C(N=C4Cl)Cl)F)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H17Cl2FN4O5/c25-19-17-20(30-24(26)29-19)31(12-28-17)21-16(27)18(36-23(33)14-9-5-2-6-10-14)15(35-21)11-34-22(32)13-7-3-1-4-8-13/h1-10,12,15-16,18,21H,11H2/t15-,16+,18-,21-/m0/s1
SMILES: [B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(O)OP(=O)(O)O
InChI: InChI=1S/C10H15BN5O12P3/c1-5-3-16(10(18)13-9(5)17)8-2-6(14-15-12)7(26-8)4-25-29(11,19)27-31(23,24)28-30(20,21)22/h3,6-8H,2,4H2,1H3,(H,23,24)(H,13,17,18)(H2,20,21,22)/q-1/t6-,7+,8+,29-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](C([C@H]([C@@H](C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)O)O
InChI: InChI=1S/C27H30O6/c28-22-23(29)25(31-16-19-10-4-1-5-11-19)27(33-18-21-14-8-3-9-15-21)26(24(22)30)32-17-20-12-6-2-7-13-20/h1-15,22-30H,16-18H2/t22?,23-,24+,25+,26-,27?
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@H]3CC2)(C)CNC(=O)NC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C28H38N2O2/c1-19(2)20-7-13-24-21(17-20)8-14-25-27(3,15-6-16-28(24,25)4)18-29-26(31)30-22-9-11-23(32-5)12-10-22/h7,9-13,17,19,25H,6,8,14-16,18H2,1-5H3,(H2,29,30,31)/t25-,27+,28-/m1/s1
SMILES: C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI: InChI=1S/C14H20N2O5/c1-15(2)9-10-5-3-4-6-11(10)21-14(17)12-7-8-13(20-12)16(18)19/h7-8,10-11H,3-6,9H2,1-2H3/p+1/t10-,11-/m1/s1
SMILES: CC(C)[C@@H]([C@@H]1[C@@H](CC(=O)O1)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H28O4Si/c1-9(2)12(13-10(15)8-11(16)17-13)18-19(6,7)14(3,4)5/h9-10,12-13,15H,8H2,1-7H3/t10-,12+,13+/m1/s1
SMILES: C[C@@]12CC[C@@H](C[C@H]1CC[C@H]3[C@@H]2C[C@@H]([C@]4([C@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)OC(=O)C6=CN=CC=C6
InChI: InChI=1S/C29H37NO6/c1-27-9-7-20(36-26(33)17-4-3-11-30-15-17)13-19(27)5-6-22-23(27)14-24(31)28(2)21(8-10-29(22,28)34)18-12-25(32)35-16-18/h3-4,11-12,15,19-24,31,34H,5-10,13-14,16H2,1-2H3/t19-,20+,21-,22+,23+,24+,27-,28+,29-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H](C)C3=CC=CC=C3
InChI: InChI=1S/C19H25N3O3/c1-13-8-6-7-11-19(13)17(24)22(18(25)21-19)12-16(23)20-14(2)15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,14+,19+/m1/s1
SMILES: C1[C@H]([C@H](CN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=C(C4=C(N3)SC(=C4)Cl)Cl)O)O
InChI: InChI=1S/C20H19Cl2N3O4S/c21-15-7-11-16(22)17(24-19(11)30-15)18(28)23-12(6-10-4-2-1-3-5-10)20(29)25-8-13(26)14(27)9-25/h1-5,7,12-14,24,26-27H,6,8-9H2,(H,23,28)/t12-,13-,14+/m0/s1
SMILES: CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C21H29NO4/c1-4-25-18-11-8-17(9-12-18)10-13-21(24)26-14-20(23)22-19-7-5-6-15(2)16(19)3/h8-13,15-16,19H,4-7,14H2,1-3H3,(H,22,23)/b13-10+/t15-,16-,19+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4[C@@H]3CCC(=O)C4)O
InChI: InChI=1S/C18H26O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h10,12-15,17,20H,2-9H2,1H3/t10?,12-,13-,14-,15-,17+,18-/m0/s1
SMILES: CCOC(=O)C1=C(N=C([C@@H]([C@H]1CC(C)C)C#N)SCC(=O)N)C
InChI: InChI=1S/C16H23N3O3S/c1-5-22-16(21)14-10(4)19-15(23-8-13(18)20)12(7-17)11(14)6-9(2)3/h9,11-12H,5-6,8H2,1-4H3,(H2,18,20)/t11-,12-/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=C(C=CC=C2C)C)C(=O)[O-])C
InChI: InChI=1S/C18H23NO3/c1-10-6-5-7-11(2)16(10)19-17(20)14-8-12(3)13(4)9-15(14)18(21)22/h5-7,14-15H,8-9H2,1-4H3,(H,19,20)(H,21,22)/p-1/t14-,15-/m1/s1
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN([C@H]4[C@@H]3CCCC4)C(=O)C5CCCO5)N)OC
InChI: InChI=1S/C23H31N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h12-13,16-18H,3-11H2,1-2H3,(H2,24,25,26)/t16-,17+,18?/m1/s1
SMILES: C1CCN2CCC[C@@H]([C@H]2C1)CN=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]
InChI: InChI=1S/C19H25N3O4/c23-22(24)17-8-15(19-16(9-17)12-25-13-26-19)11-20-10-14-4-3-7-21-6-2-1-5-18(14)21/h8-9,11,14,18H,1-7,10,12-13H2/t14-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@@H]34
InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1CN3C[C@@H]4CC=C[C@@H]4C5=C3C2=CC(=C5)C(=O)O
InChI: InChI=1S/C19H19NO2/c21-19(22)13-7-16-14-5-1-3-11(14)9-20-10-12-4-2-6-15(12)17(8-13)18(16)20/h1-2,5-8,11-12,14-15H,3-4,9-10H2,(H,21,22)/t11-,12+,14-,15-/m0/s1
SMILES: COC1=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=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=CC=C7
InChI: InChI=1S/C33H21Cl2F5N2O6/c1-48-18-9-5-8-16(27(18)43)20-14-10-11-15-19(29(45)41(28(15)44)13-6-3-2-4-7-13)17(14)12-32(34)30(46)42(31(47)33(20,32)35)26-24(39)22(37)21(36)23(38)25(26)40/h2-10,15,17,19-20,43H,11-12H2,1H3/t15-,17+,19-,20+,32+,33-/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=C(C=C3)OC)O)C
InChI: InChI=1S/C21H21N5O3/c1-21(2)19(27)18(16-10-13(11-22)4-9-17(16)29-21)26-20(24-12-23)25-14-5-7-15(28-3)8-6-14/h4-10,18-19,27H,1-3H3,(H2,24,25,26)/t18-,19+/m1/s1
SMILES: CC(=O)OC([C@]12C=C[C@H](O1)[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)OC(=O)C
InChI: InChI=1S/C20H17NO9/c1-9(22)28-19(29-10(2)23)20-7-6-13(30-20)14-15(20)17(25)21(16(14)24)12-5-3-4-11(8-12)18(26)27/h3-8,13-15,19H,1-2H3,(H,26,27)/t13-,14+,15-,20+/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCCN5CC5)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=C(C=C6)NC(=O)C
InChI: InChI=1S/C44H62N4O9S/c1-5-20-48(58(52,53)35-17-14-33(15-18-35)45-31(4)51)41-30-39(46-56-7-3)37-28-32(12-8-10-24-49)36(13-9-11-25-50)42-38-29-34(54-27-23-47-21-22-47)16-19-40(38)57-44(41,43(37)42)55-26-6-2/h6,14-19,28-29,32,36,41-43,49-50H,2,5,7-13,20-27,30H2,1,3-4H3,(H,45,51)/t32-,36+,41-,42+,43+,44+/m0/s1
SMILES: [C@@H]1([C@@H]([C@@]2([C@]1([C@@]3([C@]2(C(=C3F)F)F)F)F)F)Cl)Cl
InChI: InChI=1S/C8H2Cl2F6/c9-1-2(10)6(14)5(1,13)7(15)3(11)4(12)8(6,7)16/h1-2H/t1-,2-,5-,6+,7+,8-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1CN(/C(=N/S(=O)(=O)C3=CC=CC=C3)/O2)CC4=CC=CC=C4
InChI: InChI=1S/C20H20N2O3S/c23-26(24,18-11-5-2-6-12-18)21-20-22(14-16-8-3-1-4-9-16)15-17-10-7-13-19(17)25-20/h1-9,11-13,17,19H,10,14-15H2/b21-20-/t17-,19-/m0/s1
SMILES: CC1=C[C@H]2[C@H]3CC4=C(C5=C(C6=C4[C@@]2(CCN3C)[C@H]([C@H]1O)O6)OCOC5)CO
InChI: InChI=1S/C21H25NO5/c1-10-5-14-15-6-11-12(7-23)13-8-25-9-26-18(13)19-16(11)21(14,3-4-22(15)2)20(27-19)17(10)24/h5,14-15,17,20,23-24H,3-4,6-9H2,1-2H3/t14-,15+,17-,20-,21-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@@H](C[C@@]2([C@H]1C(=O)CI)C)O)C
InChI: InChI=1S/C22H29IO3/c1-12-8-16-15-5-4-13-9-14(24)6-7-21(13,2)20(15)17(25)10-22(16,3)19(12)18(26)11-23/h6-7,9,12,15-17,19-20,25H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17-,19-,20-,21+,22+/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(CS2)C=O)C(=O)OCC=C)O
InChI: InChI=1S/C13H15NO5S/c1-3-4-19-13(18)10-8(5-15)6-20-12-9(7(2)16)11(17)14(10)12/h3,5,7,9,12,16H,1,4,6H2,2H3/t7-,9+,12-/m1/s1
SMILES: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C
InChI: InChI=1S/C19H24O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-13,15-16,23H,6-8H2,1-4H3/t12-,13-,15-,16-,17-,18-,19+/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@H](C2[C@@H]3[C@H](C1N4N2C(=O)N(C4=O)C5=CC=CC=C5)OC(O3)(C)C)OC(=O)C
InChI: InChI=1S/C23H27N3O8/c1-12(27)31-15-10-11-16(32-13(2)28)18-20-19(33-23(3,4)34-20)17(15)25-21(29)24(22(30)26(18)25)14-8-6-5-7-9-14/h5-9,15-20H,10-11H2,1-4H3/t15-,16-,17?,18?,19-,20+/m1/s1
SMILES: CCCCCC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)N)([C@H]([C@@H](C(=C2C)C3(C)C)OC(=O)C)O)C)OC(=O)C6=CC=CC=C6)O)O
InChI: InChI=1S/C46H60N2O13/c1-8-9-12-21-33(51)48-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(47)22-32-45(38,24-57-32)61-27(4)50)39(53)37(58-26(3)49)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-40,52-53,56H,8-9,12,21-24,47H2,1-7H3,(H,48,51)/t30-,31-,32+,35-,36+,37+,38-,39-,40-,44+,45-,46+/m0/s1
SMILES: CC(C)(C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].C1CC[C@@H]([C@H](C1)N)N.[Pt+2]
InChI: InChI=1S/C10H17NO5.C6H14N2.Pt/c1-10(2,3)9(16)11-6(8(14)15)4-5-7(12)13;7-5-3-1-2-4-6(5)8;/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15);5-6H,1-4,7-8H2;/q;;+2/p-2/t6-;5-,6-;/m00./s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@H](C)OC(=O)C)CSC4=NC=NN4
InChI: InChI=1S/C26H30N4O6S/c1-15-22(13-37-26-27-14-28-30-26)35-25(36-23(15)19-9-7-18(12-31)8-10-19)20-5-4-6-21(11-20)29-24(33)16(2)34-17(3)32/h4-11,14-16,22-23,25,31H,12-13H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,16-,22+,23+,25?/m0/s1
SMILES: CC[C@@H](C)[C@H](C(=O)N(C)[C@H]1CC[C@@]2(C3CC[C@]45CN([C@H]([C@H]4CC[C@H]5[C@@H]3CC=C2C1)C)C)C)NC(=O)C
InChI: InChI=1S/C31H51N3O2/c1-8-19(2)28(32-21(4)35)29(36)34(7)23-13-15-30(5)22(17-23)9-10-24-26(30)14-16-31-18-33(6)20(3)25(31)11-12-27(24)31/h9,19-20,23-28H,8,10-18H2,1-7H3,(H,32,35)/t19-,20+,23+,24-,25-,26?,27+,28-,30+,31+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)N4C5=NC=NC(=C5N=C4N)N)O)O)O)O
InChI: InChI=1S/C19H27N8O18P3/c20-14-9-15(23-5-22-14)27(18(21)25-9)17-13(32)11(30)7(43-17)4-41-47(36,37)45-48(38,39)44-46(34,35)40-3-6-10(29)12(31)16(42-6)26-2-1-8(28)24-19(26)33/h1-2,5-7,10-13,16-17,29-32H,3-4H2,(H2,21,25)(H,34,35)(H,36,37)(H,38,39)(H2,20,22,23)(H,24,28,33)/t6-,7-,10-,11-,12-,13-,16-,17+/m1/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CC=C(C=C4)O)O
InChI: InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-19(38)31-9-10-58-20(39)11-16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-12-18-23(53-55(43,44)45)22(40)28(52-18)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,18,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24+,28-/m1/s1
SMILES: C/C(=C\CO)/CC[C@@H]1C(=C)CC[C@@H]2[C@@]1(CCCC2(C)C)C
InChI: InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20-/m1/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.C(C(COP(=O)(O)O)O)O
InChI: InChI=1S/2C20H24N2O2.C3H9O6P/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;4-1-3(5)2-9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)/t2*13-,14+,19-,20+;/m00./s1
SMILES: CCC1=C2[C@H]3[C@H](C[C@@H](O3)[C@H](C#C[Si](C)(C)C)O)OC2=CC=C1
InChI: InChI=1S/C18H24O3Si/c1-5-12-7-6-8-14-17(12)18-16(20-14)11-15(21-18)13(19)9-10-22(2,3)4/h6-8,13,15-16,18-19H,5,11H2,1-4H3/t13-,15+,16-,18+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=C(C=C8)OCC9=CC=CC=C9)O)C(=O)N(C7=O)CC1=CC=CC=C1)C
InChI: InChI=1S/C48H41ClN4O6S/c1-26-34-20-29(49)14-19-39(34)60-43(26)37-23-40(51(3)50-37)53-45(56)36-22-35-31(17-18-33-41(35)46(57)52(44(33)55)24-27-10-6-4-7-11-27)42(48(36,2)47(53)58)32-16-15-30(21-38(32)54)59-25-28-12-8-5-9-13-28/h4-17,19-21,23,33,35-36,41-42,54H,18,22,24-25H2,1-3H3/t33-,35+,36-,41-,42+,48+/m0/s1
SMILES: C1C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)NC3=CC(=CC=C3)F)C(=O)[O-]
InChI: InChI=1S/C14H14FNO4/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(20-9)12(11)14(18)19/h1-3,6,9-12H,4-5H2,(H,16,17)(H,18,19)/p-1/t9-,10+,11+,12-/m1/s1
SMILES: C[Si](C)(CC1=CC=CC=C1)[C@H]2CC=C([C@@H]3[C@H]2OC(=O)C3)Br
InChI: InChI=1S/C17H21BrO2Si/c1-21(2,11-12-6-4-3-5-7-12)15-9-8-14(18)13-10-16(19)20-17(13)15/h3-8,13,15,17H,9-11H2,1-2H3/t13-,15+,17-/m1/s1
SMILES: CCOC(=O)C[C@H]1C=C[C@H](O[C@@H]1OCC=C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C29H38O5Si/c1-6-20-32-28-23(21-27(30)31-7-2)18-19-24(34-28)22-33-35(29(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h6,8-19,23-24,28H,1,7,20-22H2,2-5H3/t23-,24+,28+/m1/s1
SMILES: C[C@@H]1[C@@H](O1)/C=C/C(=O)[C@@]2([C@H](COC2=O)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C17H28O6Si/c1-11-13(23-11)7-8-14(18)17(20)12(9-21-15(17)19)10-22-24(5,6)16(2,3)4/h7-8,11-13,20H,9-10H2,1-6H3/b8-7+/t11-,12-,13+,17-/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N2C[C@H]([C@H]([C@@H](C2=O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)N)O)OCC4=CC=CC=C4
InChI: InChI=1S/C45H64N8O11/c1-6-26(4)36(43(60)52-19-13-18-32(52)45(62)63)50-39(56)27(5)48-42(59)33(20-25(2)3)53-23-34(64-24-29-16-11-8-12-17-29)38(55)37(44(53)61)51-41(58)31(22-35(47)54)49-40(57)30(46)21-28-14-9-7-10-15-28/h7-12,14-17,25-27,30-34,36-38,55H,6,13,18-24,46H2,1-5H3,(H2,47,54)(H,48,59)(H,49,57)(H,50,56)(H,51,58)(H,62,63)/t26-,27-,30-,31-,32-,33-,34+,36-,37-,38+/m0/s1
SMILES: CC1=C([C@H](N2C(=O)[C@@]3([C@H]([C@H]([C@@]2(N1CC4=CC=CC=C4)O3)C(=O)OC)C(=O)OC)C(=O)OC)C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C30H30N2O10/c1-17-20(24(33)38-2)23(19-14-10-7-11-15-19)32-27(36)29(28(37)41-5)21(25(34)39-3)22(26(35)40-4)30(32,42-29)31(17)16-18-12-8-6-9-13-18/h6-15,21-23H,16H2,1-5H3/t21-,22+,23-,29+,30+/m1/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC(=C(C=C4)OC)OC)C
InChI: InChI=1S/C21H20N2O5/c1-11-7-12(2)9-14(8-11)23-20(24)17-18(22-28-19(17)21(23)25)13-5-6-15(26-3)16(10-13)27-4/h5-10,17,19H,1-4H3/t17-,19+/m1/s1
SMILES: C[Si](C)(C)CCOCO[C@@H]1CO[C@H](O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)OCOCC[Si](C)(C)C)C4=CC=CC=C4
InChI: InChI=1S/C32H50O8Si2/c1-41(2,3)19-17-33-23-37-27-21-35-31(25-13-9-7-10-14-25)39-29(27)30-28(38-24-34-18-20-42(4,5)6)22-36-32(40-30)26-15-11-8-12-16-26/h7-16,27-32H,17-24H2,1-6H3/t27-,28-,29-,30-,31-,32-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C[C@@H](CO)O)O)C(=C5)C(=O)CC7=C(C=CC=C7Cl)F)O)C
InChI: InChI=1S/C40H49ClFNO5/c1-36-14-11-27(45)20-38(36)17-18-40(30(21-38)33(47)19-29-31(41)9-6-10-32(29)42)34(36)12-15-37(2)35(40)13-16-39(37,48)25-43(23-28(46)24-44)22-26-7-4-3-5-8-26/h3-10,17-18,21,27-28,34-35,44-46,48H,11-16,19-20,22-25H2,1-2H3/t27?,28-,34+,35+,36+,37-,38-,39+,40+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(F)(F)F
InChI: InChI=1S/C27H14Cl2F3NO5/c28-13-7-5-12(6-8-13)21-19-20(26(38-21)22(34)15-3-1-2-4-16(15)23(26)35)25(37)33(24(19)36)14-9-10-18(29)17(11-14)27(30,31)32/h1-11,19-21H/t19-,20-,21-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC(=C(C(=C5)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C6=C(C=C(C=C6)OC)O
InChI: InChI=1S/C32H28N4O10/c1-14-9-24(37)21-13-20-17(26(28(21)30(14)39)18-6-5-16(46-4)12-25(18)38)7-8-19-27(20)32(41)34(31(19)40)15-10-22(35(42)43)29(33(2)3)23(11-15)36(44)45/h5-7,9-12,19-20,26-27,38H,8,13H2,1-4H3/t19-,20+,26+,27-/m0/s1
SMILES: CCCC[C@H]1OC(=O)[C@]2(O1)C[C@H](C(=C[C@H]2/C=C(\C)/CO)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C34H46O5Si/c1-7-8-19-31-38-32(36)34(39-31)22-26(3)27(21-28(34)20-25(2)23-35)24-37-40(33(4,5)6,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-18,20-21,26,28,31,35H,7-8,19,22-24H2,1-6H3/b25-20+/t26-,28-,31+,34+/m1/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)NCCN
InChI: InChI=1S/C30H41N5O7S2/c1-19(2)16-35(44(38,39)21-8-9-23-27(15-21)43-29(33-23)32-12-11-31)17-25(36)24(14-20-6-4-3-5-7-20)34-30(37)42-26-18-41-28-22(26)10-13-40-28/h3-9,15,19,22,24-26,28,36H,10-14,16-18,31H2,1-2H3,(H,32,33)(H,34,37)/t22-,24-,25+,26-,28+/m0/s1
SMILES: CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CSC1CC(=O)N(C1=O)CC2CCC(CC2)C(=O)NCCC3=CN=CN3)C(=O)O)NC(=O)C(CC4=CN=CN4)NC(=O)C(C(C)C)NCC5([C@@H]([C@H]([C@H](CO5)O)O)O)O
InChI: InChI=1S/C47H73N11O15S/c1-23(2)12-30(54-41(65)31(13-29-16-49-22-53-29)55-43(67)36(24(3)4)51-20-47(72)39(63)38(62)33(60)18-73-47)42(66)57-37(25(5)59)44(68)56-32(46(70)71)19-74-34-14-35(61)58(45(34)69)17-26-6-8-27(9-7-26)40(64)50-11-10-28-15-48-21-52-28/h15-16,21-27,30-34,36-39,51,59-60,62-63,72H,6-14,17-20H2,1-5H3,(H,48,52)(H,49,53)(H,50,64)(H,54,65)(H,55,67)(H,56,68)(H,57,66)(H,70,71)/t25?,26?,27?,30?,31?,32?,33-,34?,36?,37?,38-,39+,47?/m0/s1
SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC(=N2)C4=CC=CC=C4)N(N=N3)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C22H22N6O4/c29-12-15-17(30)18(31)22(32-15)28-21-16(26-27-28)20(23-11-13-7-3-1-4-8-13)24-19(25-21)14-9-5-2-6-10-14/h1-10,15,17-18,22,29-31H,11-12H2,(H,23,24,25)/t15-,17-,18-,22-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6
InChI: InChI=1S/C22H20N6O4S/c29-33(30,18-10-4-8-14-9-5-11-23-19(14)18)25-16-12-31-21-17(13-32-20(16)21)28-22(24-26-27-28)15-6-2-1-3-7-15/h1-11,16-17,20-21,25H,12-13H2/t16-,17-,20+,21+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C29H23N3O7/c33-25(19-10-4-1-5-11-19)30-23-16-17-32(29(36)31-23)26-24(39-28(35)21-14-8-3-9-15-21)22(18-37-26)38-27(34)20-12-6-2-7-13-20/h1-17,22,24,26H,18H2,(H,30,31,33,36)/t22-,24+,26+/m0/s1
SMILES: C1C=C(C[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl
InChI: InChI=1S/C14H10Cl3NO2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)8-2-4-11(16)12(17)6-8/h1-2,4,6,9-10H,3,5H2/t9-,10-/m1/s1
SMILES: CCCCCC[C@@H]\1[C@H](CC/C1=N\NC(=O)CC2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C21H30N2O3/c1-3-4-5-9-12-17-18(21(25)26-2)13-14-19(17)22-23-20(24)15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,3-5,9,12-15H2,1-2H3,(H,23,24)/b22-19+/t17-,18+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)OCC)C2=CC=CS2
InChI: InChI=1S/C17H22O6S/c1-4-22-15(19)12-10(18)9-17(3,21)14(16(20)23-5-2)13(12)11-7-6-8-24-11/h6-8,12-14,21H,4-5,9H2,1-3H3/t12-,13+,14-,17+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)[C@@H]3CC=C(C[C@@H]3C2=O)Cl
InChI: InChI=1S/C19H21ClN2O3/c1-11-3-4-12(2)16(9-11)21-17(23)7-8-22-18(24)14-6-5-13(20)10-15(14)19(22)25/h3-5,9,14-15H,6-8,10H2,1-2H3,(H,21,23)/t14-,15+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)N[C@@H]2CC(=O)N(C2)C3=CC(=CC=C3)OC
InChI: InChI=1S/C19H27N3O3/c1-13-6-3-4-9-17(13)21-19(24)20-14-10-18(23)22(12-14)15-7-5-8-16(11-15)25-2/h5,7-8,11,13-14,17H,3-4,6,9-10,12H2,1-2H3,(H2,20,21,24)/t13-,14+,17+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(C=CC(=O)C4(C)C)C)C
InChI: InChI=1S/C29H44O2/c1-18(2)9-8-10-19(3)20-11-12-21-26-22(13-15-28(20,21)6)29(7)16-14-25(31)27(4,5)24(29)17-23(26)30/h14,16-22,26H,8-13,15H2,1-7H3/t19-,20-,21+,22+,26+,28-,29-/m1/s1
SMILES: CSC[C@@H]1[C@H]([C@H]([C@@H](N1)C2C=NC3=C2NC(=O)NC3=O)O)O
InChI: InChI=1S/C12H16N4O4S/c1-21-3-5-9(17)10(18)7(14-5)4-2-13-8-6(4)15-12(20)16-11(8)19/h2,4-5,7,9-10,14,17-18H,3H2,1H3,(H2,15,16,19,20)/t4?,5-,7+,9-,10+/m1/s1
SMILES: C[C@@H]1C2=C(C3=C(C=C(C=C3)O)OC2=O)O[C@]1(C)CCC/C(=C/C(=O)C=C(C)C)/C
InChI: InChI=1S/C24H28O5/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21-22(29-24)19-9-8-17(25)13-20(19)28-23(21)27/h8-9,11-13,16,25H,6-7,10H2,1-5H3/b15-12+/t16-,24-/m1/s1
SMILES: C1[C@@H]([C@H]1C(=O)N/N=C\C2=CC=CC=C2Cl)C3=CC=CC=C3
InChI: InChI=1S/C17H15ClN2O/c18-16-9-5-4-8-13(16)11-19-20-17(21)15-10-14(15)12-6-2-1-3-7-12/h1-9,11,14-15H,10H2,(H,20,21)/b19-11-/t14-,15+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CN2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H31N3O2/c1-15-6-5-7-16(2)21(15)23-19(25)12-22-20(26)14-24-11-10-17-8-3-4-9-18(17)13-24/h5-7,17-18H,3-4,8-14H2,1-2H3,(H,22,26)(H,23,25)/t17-,18-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SCC2=CC=C(C=C2)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C32H33NO4S/c1-32(2,3)37-31(36)28-24(19-33-29(34)25-11-7-8-12-26(25)30(33)35)17-18-27(28)38-20-21-13-15-23(16-14-21)22-9-5-4-6-10-22/h4-16,24,27-28H,17-20H2,1-3H3/t24-,27-,28-/m0/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H31N3O2/c1-15-6-5-7-16(2)21(15)23-19(25)12-22-20(26)14-24-11-10-17-8-3-4-9-18(17)13-24/h5-7,17-18H,3-4,8-14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t17-,18+/m0/s1
SMILES: C[C@H](C(=C(Cl)Cl)Cl)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC2=CC=C(C=C2)C(=O)C
InChI: InChI=1S/C20H20Cl3NO4/c1-11(25)13-7-9-14(10-8-13)24-19(26)15-5-3-4-6-16(15)20(27)28-12(2)17(21)18(22)23/h3-4,7-10,12,15-16H,5-6H2,1-2H3,(H,24,26)/t12-,15+,16+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O
InChI: InChI=1S/C38H48O19/c1-14(2)5-10-18-21(53-37-31(49)28(46)26(44)22(12-39)54-37)11-19(40)23-27(45)34(32(55-33(18)23)16-6-8-17(50-4)9-7-16)56-38-35(29(47)24(42)15(3)52-38)57-36-30(48)25(43)20(41)13-51-36/h5-9,11,15,20,22,24-26,28-31,35-44,46-49H,10,12-13H2,1-4H3/t15-,20+,22+,24-,25-,26+,28-,29+,30+,31+,35+,36-,37+,38-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C16H18ClNO2/c1-9-3-6-12-13(7-9)16(20)18(15(12)19)11-5-4-10(2)14(17)8-11/h4-5,8-9,12-13H,3,6-7H2,1-2H3/t9-,12+,13-/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCCl)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C
InChI: InChI=1S/C30H40ClFO6/c1-16-12-20-19-9-8-17-13-18(33)10-11-27(17,6)29(19,32)21(34)14-28(20,7)30(16,24(36)37-15-31)38-23(35)22-25(2,3)26(22,4)5/h10-11,13,16,19-22,34H,8-9,12,14-15H2,1-7H3/t16-,19-,20-,21-,27-,28-,29-,30-/m0/s1
SMILES: C1C[C@@H](OC1)CN2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)O
InChI: InChI=1S/C14H17NO5/c16-12-11-10(13(17)18)9-3-4-14(11,20-9)7-15(12)6-8-2-1-5-19-8/h3-4,8-11H,1-2,5-7H2,(H,17,18)/t8-,9-,10+,11+,14-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=C2Br)[N+](=O)[O-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H16BrN3O9/c1-6(19)24-4-9-10(25-7(2)20)11(26-8(3)21)14(27-9)17-5-16-13(12(17)15)18(22)23/h5,9-11,14H,4H2,1-3H3/t9-,10-,11-,14-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H](C)[C@H]2[C@@H](C(=O)OC2(C)C)C(=O)NC3=CC=C(C=C3)C
InChI: InChI=1S/C24H27NO4/c1-14-6-10-17(11-7-14)21(26)16(3)20-19(23(28)29-24(20,4)5)22(27)25-18-12-8-15(2)9-13-18/h6-13,16,19-20H,1-5H3,(H,25,27)/t16-,19+,20-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H]4CCCC4=C5CCC[C@H]5[C@H]3C2=O
InChI: InChI=1S/C22H25NO2/c1-2-13-9-11-14(12-10-13)23-21(24)19-17-7-3-5-15(17)16-6-4-8-18(16)20(19)22(23)25/h9-12,17-20H,2-8H2,1H3/t17-,18-,19-,20-/m1/s1
SMILES: CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=O)[C@@H]4C[C@@H]4C5=CC=CC=C5
InChI: InChI=1S/C26H25N3O/c1-17-25(27-26(30)24-15-23(24)20-9-4-3-5-10-20)18(2)29(28-17)16-21-13-8-12-19-11-6-7-14-22(19)21/h3-14,23-24H,15-16H2,1-2H3,(H,27,30)/t23-,24-/m1/s1
SMILES: C1=C[N+](=C(N=C1N)N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H14N4O4/c10-5-1-2-13(9(11)12-5)8-7(16)6(15)4(3-14)17-8/h1-2,4,6-8,14-16H,3H2,(H3,10,11,12)/p+1/t4-,6-,7+,8-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](CC[C@@H](N1)CC(=O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H43NO4Si2/c1-19(2,3)26(7,8)24-14-16-17(25-27(9,10)20(4,5)6)12-11-15(21-16)13-18(22)23/h15-17,21H,11-14H2,1-10H3,(H,22,23)/t15-,16-,17-/m1/s1
SMILES: CN1[C@H]2C[C@@H](O1)CN3[C@@H]2[C@H](C3=O)OCC4=CC=CC=C4
InChI: InChI=1S/C15H18N2O3/c1-16-12-7-11(20-16)8-17-13(12)14(15(17)18)19-9-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H35NO22S2/c1-9(26)25-17-20(41-11(3)28)18(15(7-38-48(32,33)34)45-23(17)44-14(6)31)47-24-22(43-13(5)30)21(42-12(4)29)19(40-10(2)27)16(46-24)8-39-49(35,36)37/h15-24H,7-8H2,1-6H3,(H,25,26)(H,32,33,34)(H,35,36,37)/t15-,16-,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)OCC2=CC=CC=C2)C(=C)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)C)CC(=O)OC
InChI: InChI=1S/C35H39NO7/c1-5-41-34(38)33-29(21-32(37)40-4)30(22-36(33)35(39)43-23-27-14-10-7-11-15-27)25(3)28-16-17-31(24(2)20-28)42-19-18-26-12-8-6-9-13-26/h6-17,20,29-30,33H,3,5,18-19,21-23H2,1-2,4H3/t29-,30+,33-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(O4)C)O)C
InChI: InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12?,13-,14-,15-/m1/s1
SMILES: CC([C@@H]1C[C@@H]([C@@H](O1)C(C)OCC2=CC=CC=C2)C=C)OCC3=CC=CC=C3
InChI: InChI=1S/C24H30O3/c1-4-22-15-23(18(2)25-16-20-11-7-5-8-12-20)27-24(22)19(3)26-17-21-13-9-6-10-14-21/h4-14,18-19,22-24H,1,15-17H2,2-3H3/t18?,19?,22-,23-,24-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C27H33N3O4S/c1-18-8-4-6-10-21(18)28-25(31)17-35-27-29-22-11-7-5-9-20(22)26(32)30(27)15-14-19-12-13-23(33-2)24(16-19)34-3/h5,7,9,11-13,16,18,21H,4,6,8,10,14-15,17H2,1-3H3,(H,28,31)/t18-,21+/m0/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@@H]([C@@H](S2)CO)O)O)Cl
InChI: InChI=1S/C9H11ClN2O5S/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6+,8-/m0/s1