EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]\1[C@@H](N[C@@H](C/C1=N\O)C2=C(C=CC(=C2)OC)OC)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C22H28N2O5/c1-13-18(24-25)12-19(16-10-14(26-2)6-8-20(16)28-4)23-22(13)17-11-15(27-3)7-9-21(17)29-5/h6-11,13,19,22-23,25H,12H2,1-5H3/b24-18+/t13-,19-,22+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H]([C@@H]3C(=O)[C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O)OCC7=CC=CC=C7)C
InChI: InChI=1S/C42H40O13/c1-42(2)54-37-36(48-23-25-15-7-3-8-16-25)35(53-41(37)55-42)31(44)33-30(43)34(52-40(47)28-21-13-6-14-22-28)32(51-39(46)27-19-11-5-12-20-27)29(50-33)24-49-38(45)26-17-9-4-10-18-26/h3-22,29,31-37,41,44H,23-24H2,1-2H3/t29-,31-,32-,33+,34-,35-,36+,37-,41-/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C15H18ClNO4/c1-21-13-7-6-9(16)8-12(13)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11-/m0/s1
SMILES: COC(=O)CN1[C@@H]([C@@H](C1=O)N2[C@H](COC2=O)C3=CC=CC=C3)/C=C/C4=CC=CO4
InChI: InChI=1S/C21H20N2O6/c1-27-18(24)12-22-16(10-9-15-8-5-11-28-15)19(20(22)25)23-17(13-29-21(23)26)14-6-3-2-4-7-14/h2-11,16-17,19H,12-13H2,1H3/b10-9+/t16-,17-,19+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
InChI: InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C16H25NO4S/c1-11-6-5-7-14(12(11)2)17-22(18,19)13-8-9-15(20-3)16(10-13)21-4/h8-12,14,17H,5-7H2,1-4H3/t11-,12-,14-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1OC(=O)N[C@](C)(CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)CC(=O)O
InChI: InChI=1S/C30H37N3O5/c1-20-10-6-9-15-26(20)38-29(37)33-30(2,18-22-19-31-25-14-8-7-13-24(22)25)28(36)32-23(17-27(34)35)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,19-20,23,26,31H,6,9-10,15-18H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t20-,23-,26+,30+/m0/s1
SMILES: C[C@@H]1[C@H](OC2(O1)CCCCC2)[C@@H]([C@H]([C@H](CC3=CC4=CC(=CC(=C4C(=C3C(=O)OC)O)OCOCC5=CC=CC=C5)OCC=C)C=C)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C45H62O10Si/c1-11-23-51-35-26-34-25-33(38(43(47)49-8)39(46)37(34)36(27-35)52-29-50-28-31-19-15-13-16-20-31)24-32(12-2)41(48-7)42(55-56(9,10)44(4,5)6)40-30(3)53-45(54-40)21-17-14-18-22-45/h11-13,15-16,19-20,25-27,30,32,40-42,46H,1-2,14,17-18,21-24,28-29H2,3-10H3/t30-,32+,40+,41+,42+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CC[C@@H]3CCCC[C@H]3C2
InChI: InChI=1S/C21H28N2O5/c1-27-18-8-6-16(7-9-18)21(26)22-12-20(25)28-14-19(24)23-11-10-15-4-2-3-5-17(15)13-23/h6-9,15,17H,2-5,10-14H2,1H3,(H,22,26)/t15-,17-/m0/s1
SMILES: C1CC[C@H]2[C@H](CC1)[C@@H]\3[C@H]2CC/C3=N\NC(=O)C4=CC=CC=C4Br
InChI: InChI=1S/C19H23BrN2O/c20-16-9-5-4-8-15(16)19(23)22-21-17-11-10-14-12-6-2-1-3-7-13(12)18(14)17/h4-5,8-9,12-14,18H,1-3,6-7,10-11H2,(H,22,23)/b21-17+/t12-,13-,14-,18+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@@H]4[C@@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@@H]1C)C)C(=O)[O-]
InChI: InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/p-1/t18-,19-,21+,22+,23+,24+,27+,28-,29+,30+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[13CH2]/C2=C\C=C/3\C[C@H](CCC3=[13CH2])O)C
InChI: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i1+1,9+1
SMILES: C[C@H]1C[C@@]([C@H](C=C1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/C=C(\C)/CO[Si](C)(C)C(C)(C)C)(C(=O)OC)O
InChI: InChI=1S/C36H54O5Si2/c1-27(25-40-42(10,11)34(3,4)5)22-30-23-29(28(2)24-36(30,38)33(37)39-9)26-41-43(35(6,7)8,31-18-14-12-15-19-31)32-20-16-13-17-21-32/h12-23,28,30,38H,24-26H2,1-11H3/b27-22+/t28-,30-,36+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](C(=O)C[C@@]([C@@H]2C(=O)OC(C)(C)C)(C)O)C(=O)OC(C)(C)C
InChI: InChI=1S/C24H34O6/c1-14-9-11-15(12-10-14)17-18(20(26)29-22(2,3)4)16(25)13-24(8,28)19(17)21(27)30-23(5,6)7/h9-12,17-19,28H,13H2,1-8H3/t17-,18-,19-,24+/m0/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@H]4[C@@]56CC[NH+]([C@@H]([C@@]5(C3)OC)CC7=C6C(=C(C=C7)OCC8=CC=CC=C8)O4)CC=C.[Cl-]
InChI: InChI=1S/C34H34N2O3.ClH/c1-4-17-36-18-16-33-29-23-14-15-27(38-21-22-10-6-5-7-11-22)31(29)39-32(33)30-25(20-34(33,37-3)28(36)19-23)24-12-8-9-13-26(24)35(30)2;/h4-15,28,32H,1,16-21H2,2-3H3;1H/t28-,32+,33+,34-;/m1./s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C5=CC=CC=C5C=C4)[N+](=O)[O-]
InChI: InChI=1S/C23H20N2O3/c1-28-21-12-10-15(13-20(21)25(26)27)22-18-8-4-7-17(18)19-11-9-14-5-2-3-6-16(14)23(19)24-22/h2-7,9-13,17-18,22,24H,8H2,1H3/t17-,18+,22+/m1/s1
SMILES: C/C(=C\C1=C(C=C(C=C1)O[C@@H]2C[C@@H]([C@H]([C@@H]2O)O)/C=C/COC3=C(C=C(C=C3)Cl)Cl)O)/C(=O)NC4=C(C5=C(C=C4O)OCO5)O
InChI: InChI=1S/C31H29Cl2NO10/c1-15(31(40)34-26-22(36)13-25-30(29(26)39)43-14-42-25)9-16-4-6-19(12-21(16)35)44-24-10-17(27(37)28(24)38)3-2-8-41-23-7-5-18(32)11-20(23)33/h2-7,9,11-13,17,24,27-28,35-39H,8,10,14H2,1H3,(H,34,40)/b3-2+,15-9+/t17-,24+,27+,28+/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]
InChI: InChI=1S/C16H20N2O3/c19-11-12-5-6-15(16(9-12)18(20)21)17-8-7-13-3-1-2-4-14(13)10-17/h5-6,9,11,13-14H,1-4,7-8,10H2/t13-,14+/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)[O-])C(=O)OCCCCOC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C20H30O8/c21-17(22)13-7-1-3-9-15(13)19(25)27-11-5-6-12-28-20(26)16-10-4-2-8-14(16)18(23)24/h13-16H,1-12H2,(H,21,22)(H,23,24)/p-2/t13-,14+,15+,16-
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](CC([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C(=O)NC(C)C)C)O)(C)O
InChI: InChI=1S/C34H63N3O10/c1-14-25-34(10,43)28(40)23(8)37(32(42)35-18(2)3)17-19(4)16-33(9,44-13)29(21(6)26(38)22(7)30(41)46-25)47-31-27(39)24(36(11)12)15-20(5)45-31/h18-25,27-29,31,39-40,43H,14-17H2,1-13H3,(H,35,42)/t19-,20-,21+,22-,23-,24+,25-,27-,28-,29-,31+,33?,34-/m1/s1
SMILES: CC[C@]12[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)C)[C@](C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC
InChI: InChI=1S/C32H29NO3/c1-4-31-24(21-12-8-6-9-13-21)25(22-14-10-7-11-15-22)32(5-2,30(31)36)27-26(31)28(34)33(29(27)35)23-18-16-20(3)17-19-23/h6-19,26-27H,4-5H2,1-3H3/t26-,27-,31-,32+/m0/s1
SMILES: COC1=CC(=C(C=C1/C=N\N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4)[N+](=O)[O-])OC
InChI: InChI=1S/C18H17N3O6/c1-26-13-7-14(27-2)12(21(24)25)6-11(13)8-19-20-17(22)15-9-3-4-10(5-9)16(15)18(20)23/h3-4,6-10,15-16H,5H2,1-2H3/b19-8-/t9-,10+,15-,16+
SMILES: C[C@@]12C=C[C@@](O1)([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C
InChI: InChI=1S/C16H14N2O5/c1-15-7-8-16(2,23-15)12-11(15)13(19)17(14(12)20)9-3-5-10(6-4-9)18(21)22/h3-8,11-12H,1-2H3/t11-,12+,15+,16-
SMILES: COC1=CC=CC=C1[C@H]2[C@]3(O2)[C@@H](OC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI: InChI=1S/C23H18O4/c1-25-18-13-7-6-12-17(18)22-23(27-22)20(24)16-11-5-8-14-19(16)26-21(23)15-9-3-2-4-10-15/h2-14,21-22H,1H3/t21-,22-,23+/m0/s1
SMILES: C[C@H]1C=C([C@H]2[C@@H]([C@@H]1CO[C@@H]2C3=CC=CC=C3OC)C)C
InChI: InChI=1S/C18H24O2/c1-11-9-12(2)17-13(3)15(11)10-20-18(17)14-7-5-6-8-16(14)19-4/h5-9,11,13,15,17-18H,10H2,1-4H3/t11-,13+,15+,17-,18+/m0/s1
SMILES: C[C@@]12[C@H](C(=NN1)C(=O)OC)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C14H11Cl2N3O4/c1-14-9(10(17-18-14)12(21)23-2)11(20)19(13(14)22)6-3-4-7(15)8(16)5-6/h3-5,9,18H,1-2H3/t9-,14+/m1/s1
SMILES: CCOC(=O)C1=CN(N=N1)[C@@H]2[C@@H]([C@H]([C@@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)F
InChI: InChI=1S/C24H22FN3O7/c1-2-32-24(31)17-13-28(27-26-17)21-19(25)20(35-23(30)16-11-7-4-8-12-16)18(34-21)14-33-22(29)15-9-5-3-6-10-15/h3-13,18-21H,2,14H2,1H3/t18-,19+,20-,21-/m0/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CC(C[N+](=O)[O-])C(=O)OC)C
InChI: InChI=1S/C14H23NO4/c1-14(2)11-5-4-9(12(14)7-11)6-10(8-15(17)18)13(16)19-3/h9-12H,4-8H2,1-3H3/t9-,10?,11-,12-/m0/s1
SMILES: C[C@@H]1CCCC2(C(O2)C[C@H](OC(=O)C[C@H](C(C(=O)[C@@H]([C@H]1O)CC#C)(C)C)O)/C=C/C3=CC=CC=N3)C
InChI: InChI=1S/C29H39NO6/c1-6-10-22-26(33)19(2)11-9-15-29(5)24(36-29)17-21(14-13-20-12-7-8-16-30-20)35-25(32)18-23(31)28(3,4)27(22)34/h1,7-8,12-14,16,19,21-24,26,31,33H,9-11,15,17-18H2,2-5H3/b14-13+/t19-,21-,22-,23-,24?,26+,29?/m1/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2C(=O)C[C@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C25H40O3/c1-16(8-11-22(27)28-4)18-9-10-19-23-20(12-14-25(18,19)3)24(2)13-6-5-7-17(24)15-21(23)26/h16-20,23H,5-15H2,1-4H3/t16-,17-,18+,19+,20-,23+,24-,25+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C=CC7=CC(=C(C=C7)O)OC)C(=O)N(C5=O)C8CCCCC8
InChI: InChI=1S/C42H43N3O6/c1-25-13-17-28(18-14-25)43-45-39(48)34-24-32-30(19-20-31-37(32)40(49)44(38(31)47)29-11-7-4-8-12-29)33(21-15-26-16-22-35(46)36(23-26)51-2)42(34,41(45)50)27-9-5-3-6-10-27/h3,5-6,9-10,13-19,21-23,29,31-34,37,43,46H,4,7-8,11-12,20,24H2,1-2H3/t31-,32+,33-,34-,37-,42-/m0/s1
SMILES: C1=CC=C(C=C1)CC2O[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H20O2/c1-4-10-17(11-5-1)16-20-23-21(18-12-6-2-7-13-18)22(24-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2/t21-,22-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](N1CC2=CC=CC=C2)C#N)C3=CC=CC=C3
InChI: InChI=1S/C18H18N2/c1-14-18(16-10-6-3-7-11-16)17(12-19)20(14)13-15-8-4-2-5-9-15/h2-11,14,17-18H,13H2,1H3/t14-,17+,18+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC
InChI: InChI=1S/C28H31NO11/c1-11-27(38-3)14(29)7-18(39-11)40-16-9-28(36,17(31)10-30)8-13-20(16)26(35)22-21(24(13)33)23(32)12-5-4-6-15(37-2)19(12)25(22)34/h4-6,11,14,16,18,27,30,33,35-36H,7-10,29H2,1-3H3/t11-,14-,16-,18-,27-,28-/m0/s1
SMILES: CC(C)N(CCOC1=CC2=C(C=C1)C3CC[C@]4(C(C3CC2)CC[C@]4(C#C)O)C)C(C)C
InChI: InChI=1S/C28H41NO2/c1-7-28(30)15-13-26-25-10-8-21-18-22(31-17-16-29(19(2)3)20(4)5)9-11-23(21)24(25)12-14-27(26,28)6/h1,9,11,18-20,24-26,30H,8,10,12-17H2,2-6H3/t24?,25?,26?,27-,28-/m0/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CCC5(CC4)OCCO5
InChI: InChI=1S/C30H41N3O6/c1-3-31-29(35)32-18-22-4-10-25(11-5-22)28-38-26(19-33-14-12-30(13-15-33)36-16-17-37-30)21(2)27(39-28)24-8-6-23(20-34)7-9-24/h4-11,21,26-28,34H,3,12-20H2,1-2H3,(H2,31,32,35)/t21-,26+,27+,28+/m1/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCC3=CC4=CC=CC=C4N3)C(=O)C5CCCC5)C(=O)NCCO
InChI: InChI=1S/C33H38IN3O7/c1-43-29-15-20(19-39)14-25(34)31(29)44-28-18-23(32(41)35-11-13-38)17-27(30(28)40)37(33(42)21-6-2-3-7-21)12-10-24-16-22-8-4-5-9-26(22)36-24/h4-5,8-9,14-16,18-19,21,27-28,30,36,38,40H,2-3,6-7,10-13,17H2,1H3,(H,35,41)/t27-,28+,30+/m1/s1
SMILES: C[C@]1(CC[C@@H]([C@@]1(C)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)COC6CCCCO6
InChI: InChI=1S/C39H46O2P2/c1-38(30-41-37-25-15-16-28-40-37)27-26-32(29-42(33-17-7-3-8-18-33)34-19-9-4-10-20-34)39(38,2)31-43(35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-14,17-24,32,37H,15-16,25-31H2,1-2H3/t32-,37?,38+,39-/m1/s1
SMILES: CC1=NN2[C@H]([C@H](C(=C)NC2=N1)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CO4
InChI: InChI=1S/C19H16F3N5O2/c1-10-15(17(28)25-13-6-3-5-12(9-13)19(20,21)22)16(14-7-4-8-29-14)27-18(23-10)24-11(2)26-27/h3-9,15-16H,1H2,2H3,(H,25,28)(H,23,24,26)/t15-,16-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N3C(=N2)OC(=N3)C4=CC=CC=C4)NC(=O)CNC(=O)CN
InChI: InChI=1S/C22H22N6O5/c1-32-15-9-7-13(8-10-15)18-19(25-17(30)12-24-16(29)11-23)21(31)28-22(26-18)33-20(27-28)14-5-3-2-4-6-14/h2-10,18-19H,11-12,23H2,1H3,(H,24,29)(H,25,30)/t18-,19+/m1/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)COC3=CC=CC=C3)N2CC4=CC=CC=C4
InChI: InChI=1S/C20H20N2O4S2/c23-19(12-26-16-9-5-2-6-10-16)21-20-22(11-15-7-3-1-4-8-15)17-13-28(24,25)14-18(17)27-20/h1-10,17-18H,11-14H2/t17-,18+/m0/s1
SMILES: COC1=CC2=C(C(=CN=C2C=C1)F)CCC[C@@H]3CCN(C[C@@H]3CC(=O)O)CCSC4=CC=CS4
InChI: InChI=1S/C26H31FN2O3S2/c1-32-20-7-8-24-22(15-20)21(23(27)16-28-24)5-2-4-18-9-10-29(17-19(18)14-25(30)31)11-13-34-26-6-3-12-33-26/h3,6-8,12,15-16,18-19H,2,4-5,9-11,13-14,17H2,1H3,(H,30,31)/t18-,19+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](O2)N3C4=NC=CN=C4C(=O)NC3=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C32H24N4O9/c37-27-23-26(34-17-16-33-23)36(32(41)35-27)28-25(45-31(40)21-14-8-3-9-15-21)24(44-30(39)20-12-6-2-7-13-20)22(43-28)18-42-29(38)19-10-4-1-5-11-19/h1-17,22,24-25,28H,18H2,(H,35,37,41)/t22-,24-,25+,28+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@]23C4=CC=CC=C4N([C@@]2(NC(=O)C3=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C29H20N2O3/c32-25(20-12-4-1-5-13-20)28-23-18-10-11-19-24(23)31(22-16-8-3-9-17-22)29(28,30-27(34)26(28)33)21-14-6-2-7-15-21/h1-19H,(H,30,34)/t28-,29+/m1/s1
SMILES: CC(=O)N1CCN(CC1)C(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NC(=O)C(C)(C)C
InChI: InChI=1S/C27H42N4O5S/c1-16(33)30-9-11-31(12-10-30)21(35)13-17-22-18(37-24(28-22)29-23(36)25(2,3)4)14-19-26(17,5)8-7-20(34)27(19,6)15-32/h17,19-20,32,34H,7-15H2,1-6H3,(H,28,29,36)/t17-,19+,20-,26+,27+/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)C/C=C/CN2C(=O)C(=CN(C2=O)[C@H]3[C@@H]([C@]4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C)C)[C@H]5C[C@@H]([C@H](O5)CO)N=[N+]=[N-]
InChI: InChI=1S/C38H60N8O12SSi2/c1-23-18-45(29-17-25(41-42-40)26(20-47)55-29)34(50)43(31(23)48)15-13-14-16-44-32(49)24(2)19-46(35(44)51)33-30(57-61(11,12)37(6,7)8)38(27(39)22-59(52,53)58-38)28(56-33)21-54-60(9,10)36(3,4)5/h13-14,18-19,22,25-26,28-30,33,47H,15-17,20-21,39H2,1-12H3/b14-13+/t25-,26+,28+,29+,30-,33+,38+/m0/s1
SMILES: C[C@H]1CN(CC[C@H]1N(C2=CC=CC=C2)C(=O)C(C)OC)CCC3=CC=CS3
InChI: InChI=1S/C22H30N2O2S/c1-17-16-23(13-11-20-10-7-15-27-20)14-12-21(17)24(22(25)18(2)26-3)19-8-5-4-6-9-19/h4-10,15,17-18,21H,11-14,16H2,1-3H3/t17-,18?,21+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCOC)C2=COC3=CC=CC=C3C2=O)CCOCCOCCO
InChI: InChI=1S/C26H35NO9/c1-3-34-26-18(8-11-32-14-15-33-13-10-28)20(16-23(36-26)25(30)27-9-12-31-2)21-17-35-22-7-5-4-6-19(22)24(21)29/h4-7,16-18,20,26,28H,3,8-15H2,1-2H3,(H,27,30)/t18-,20-,26+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)N)I)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H18INO7/c1-5(15)18-4-8-10(19-6(2)16)11(20-7(3)17)9(13)12(14)21-8/h8-12H,4,14H2,1-3H3/t8-,9+,10-,11-,12+/m1/s1
SMILES: C=CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C15H14Cl2N2O2S/c1-3-6-21-14(20)12-8(2)18-15(22)19-13(12)9-4-5-10(16)11(17)7-9/h3-5,7,12-13H,1-2,6H2,(H2,18,19,22)/t12-,13+/m0/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=NC4=CC=CC=C4N3C
InChI: InChI=1S/C17H17N3O2/c1-10-7-8-11-12(9-10)16(22)20(15(11)21)17-18-13-5-3-4-6-14(13)19(17)2/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m1/s1
SMILES: CC(C)C1=CC=CC=C1N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)C
InChI: InChI=1S/C16H20N2O3S2/c1-10(2)12-6-4-5-7-13(12)18-14-8-23(20,21)9-15(14)22-16(18)17-11(3)19/h4-7,10,14-15H,8-9H2,1-3H3/t14-,15+/m0/s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CC#N)N2CC3=CC=C(C=C3)F
InChI: InChI=1S/C15H14FN3O3S2/c16-11-3-1-10(2-4-11)7-19-12-8-24(21,22)9-13(12)23-15(19)18-14(20)5-6-17/h1-4,12-13H,5,7-9H2/t12-,13-/m0/s1
SMILES: COC1=C(C=C(C=C1)Br)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)[O-]
InChI: InChI=1S/C20H18BrNO3/c1-25-18-8-6-12(21)10-16(18)19-14-4-2-3-13(14)15-9-11(20(23)24)5-7-17(15)22-19/h2-3,5-10,13-14,19,22H,4H2,1H3,(H,23,24)/p-1/t13-,14+,19-/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3C(=O)[O-])Br)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H15BrClNO2/c20-11-8-15-13-2-1-3-14(13)17(10-4-6-12(21)7-5-10)22-18(15)16(9-11)19(23)24/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/p-1/t13-,14-,17-/m0/s1
SMILES: C[C@H]1[C@H](C(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)C)F
InChI: InChI=1S/C32H33FN2O6/c1-20-18-35(31(37)34-29(20)36)30-28(33)21(2)27(41-30)19-40-32(22-8-6-5-7-9-22,23-10-14-25(38-3)15-11-23)24-12-16-26(39-4)17-13-24/h5-18,21,27-28,30H,19H2,1-4H3,(H,34,36,37)/t21-,27?,28-,30?/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N2C=CC(=O)NC2=O
InChI: InChI=1S/C10H14N2O6/c13-3-6-9(16)8(15)5(4-18-6)12-2-1-7(14)11-10(12)17/h1-2,5-6,8-9,13,15-16H,3-4H2,(H,11,14,17)/t5-,6-,8-,9-/m1/s1
SMILES: C[C@@H]1[C@@H](C1(Cl)Cl)N2C3=CC=CC=C3OC4=CC=CC=C42
InChI: InChI=1S/C16H13Cl2NO/c1-10-15(16(10,17)18)19-11-6-2-4-8-13(11)20-14-9-5-3-7-12(14)19/h2-10,15H,1H3/t10-,15+/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C37H44N6O4/c1-3-38-37(45)41-23-31-7-4-5-8-32(31)28-13-15-30(16-14-28)35-46-33(26(2)34(47-35)29-11-9-27(25-44)10-12-29)24-42-19-21-43(22-20-42)36-39-17-6-18-40-36/h4-18,26,33-35,44H,3,19-25H2,1-2H3,(H2,38,41,45)/t26-,33+,34+,35+/m1/s1
SMILES: CCC=CCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
InChI: InChI=1S/C14H20N2O4S/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16/h5-6,9-10,12H,4,7H2,1-3H3,(H,15,17)(H,19,20)/t9-,10+,12-/m1/s1
SMILES: CN1C[C@H]([C@@H](C1)C(=O)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H20ClNO2/c1-21-11-17(13-6-8-15(20)9-7-13)18(12-21)19(22)14-4-3-5-16(10-14)23-2/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m0/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)N6CCOCC6)C7=CC(=C(C(=C7Br)Br)O)OC
InChI: InChI=1S/C34H30Br2N2O7/c1-16-13-24(39)22-14-21-19(26(28(22)31(16)40)23-15-25(44-2)32(41)30(36)29(23)35)7-8-20-27(21)34(43)38(33(20)42)18-5-3-17(4-6-18)37-9-11-45-12-10-37/h3-7,13,15,20-21,26-27,41H,8-12,14H2,1-2H3/t20-,21+,26+,27-/m0/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2OC(=O)[C@]3(O2)[C@@H](N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H18ClNO5/c1-29-19-9-5-6-16(14-19)21-30-23(28)24(31-21)20(15-10-12-17(25)13-11-15)26(22(24)27)18-7-3-2-4-8-18/h2-14,20-21H,1H3/t20-,21+,24-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@@H]4C2=O)C(=O)OC
InChI: InChI=1S/C18H19NO4/c1-11(12-6-4-3-5-7-12)19-10-18-9-8-13(23-18)14(17(21)22-2)15(18)16(19)20/h3-9,11,13-15H,10H2,1-2H3/t11-,13-,14-,15+,18-/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@]5(N2C1)C6=C(C=CC(=C6)F)NC5=O
InChI: InChI=1S/C22H17F2N3O3/c23-11-3-6-13(7-4-11)27-19(28)17-16-2-1-9-26(16)22(18(17)20(27)29)14-10-12(24)5-8-15(14)25-21(22)30/h3-8,10,16-18H,1-2,9H2,(H,25,30)/t16-,17-,18+,22-/m1/s1
SMILES: CC(=CC(=O)N(CCOC)[C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C
InChI: InChI=1S/C23H31IN2O6/c1-15(2)12-21(28)26(9-11-31-3)18-13-16(23(30)25-8-10-27)14-20(22(18)29)32-19-7-5-4-6-17(19)24/h4-7,12,14,18,20,22,27,29H,8-11,13H2,1-3H3,(H,25,30)/t18-,20+,22+/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)O)CCCCO)CCCCO)OCC=C)N(CC5=CC=CC6=CC=CC=C65)C(=O)OCCCl
InChI: InChI=1S/C42H51ClN2O8/c1-3-22-52-42-38(45(41(49)51-23-19-43)27-30-14-10-13-28-11-4-5-15-32(28)30)26-36(44-50-2)34-24-29(12-6-8-20-46)33(16-7-9-21-47)39(40(34)42)35-25-31(48)17-18-37(35)53-42/h3-5,10-11,13-15,17-18,24-25,29,33,38-40,46-48H,1,6-9,12,16,19-23,26-27H2,2H3/t29-,33+,38-,39+,40+,42+/m0/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/C[C@@H]1CCC(=O)[C@]2([C@@]1(C2)C)CC/C(=C/CO[Si](C)(C)C(C)(C)C)/C)/C)/CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C41H74O3Si2/c1-32(2)18-16-20-35(30-44-46(14,15)39(8,9)10)21-17-19-33(3)22-23-36-24-25-37(42)41(31-40(36,41)11)28-26-34(4)27-29-43-45(12,13)38(5,6)7/h18,21-22,27,36H,16-17,19-20,23-26,28-31H2,1-15H3/b33-22+,34-27+,35-21-/t36-,40-,41+/m1/s1
SMILES: C1CCC(CC1)NC2C3=C(NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C16H25N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-14,16,20,22-24H,1-6H2,(H,17,18)/t10-,12-,13-,14?,16-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OO)C)C
InChI: InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)CCOCOC)C[C@H]4C(=O)C=C[C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C51H66O10Si/c1-51(2,3)62(5,6)61-49-46(31-45-42(52)27-28-43(56-33-39-21-13-8-14-22-39)47(60-45)36-55-32-38-19-11-7-12-20-38)59-44(29-30-54-37-53-4)48(57-34-40-23-15-9-16-24-40)50(49)58-35-41-25-17-10-18-26-41/h7-28,43-50H,29-37H2,1-6H3/t43-,44-,45-,46+,47+,48-,49+,50+/m0/s1
SMILES: COC(=O)[C@@H]1CN2[C@]([C@H]1C(=O)OC)(SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H20N2O4S/c1-26-19(24)16-13-23-21(17(16)20(25)27-2,15-11-7-4-8-12-15)28-18(22-23)14-9-5-3-6-10-14/h3-12,16-17H,13H2,1-2H3/t16-,17-,21+/m1/s1
SMILES: CC1=CC2=C(C=C1C)N([C@@]3([C@H](N2C)C(C4=CC=CC=C4C3(C)C)(C)C)C)C
InChI: InChI=1S/C25H34N2/c1-16-14-20-21(15-17(16)2)27(9)25(7)22(26(20)8)23(3,4)18-12-10-11-13-19(18)24(25,5)6/h10-15,22H,1-9H3/t22-,25-/m1/s1
SMILES: CC1=C(N=CC=C1)C[N@@+]2(CCC[C@H]2C(C3=CC=CC=C3)(C4=CC=CC=C4)O)[O-]
InChI: InChI=1S/C24H26N2O2/c1-19-10-8-16-25-22(19)18-26(28)17-9-15-23(26)24(27,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-8,10-14,16,23,27H,9,15,17-18H2,1H3/t23-,26+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@](C)(C[C@@H](C)/C(=N\O)/Cl)[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=CC=C2)[C@@H](C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C32H58ClNO5Si2/c1-13-41(14-2,15-3)39-32(10,21-23(4)29(33)34-35)28-25(6)27(24(5)22-36-40(11,12)31(7,8)9)37-30(38-28)26-19-17-16-18-20-26/h16-20,23-25,27-28,30,35H,13-15,21-22H2,1-12H3/b34-29+/t23-,24+,25+,27-,28-,30-,32-/m1/s1
SMILES: CC1=C(C[C@@]([C@H](C1)C2=CN(C3=CC=CC=C32)C(=O)C)(C(=O)OC)NC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C27H28N2O4/c1-17-14-23(22-16-29(19(3)30)24-13-9-8-12-21(22)24)27(15-18(17)2,26(32)33-4)28-25(31)20-10-6-5-7-11-20/h5-13,16,23H,14-15H2,1-4H3,(H,28,31)/t23-,27-/m1/s1
SMILES: CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C23H28N2O5/c1-3-15(2)16-8-10-17(11-9-16)24-20(26)14-30-21(27)12-13-25-22(28)18-6-4-5-7-19(18)23(25)29/h4-5,8-11,15,18-19H,3,6-7,12-14H2,1-2H3,(H,24,26)/t15-,18-,19+/m0/s1
SMILES: CN(C1=CC=CC=C1)NO[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C13H20N2O6/c1-15(8-5-3-2-4-6-8)14-21-13-12(19)11(18)10(17)9(7-16)20-13/h2-6,9-14,16-19H,7H2,1H3/t9-,10+,11+,12+,13-/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@@H]([C@@H]([C@@H](O6)OCC)CCCO)C7=COC8=CC=CC=C87)OC)OC)OC)OC
InChI: InChI=1S/C48H60N2O9/c1-7-29-27-49-17-15-30-22-42(53-3)44(55-5)24-35(30)39(49)20-32(29)21-40-36-25-45(56-6)43(54-4)23-31(36)16-18-50(40)47(52)46-26-37(34(13-11-19-51)48(59-46)57-8-2)38-28-58-41-14-10-9-12-33(38)41/h9-10,12,14,22-26,28-29,32,34,37,39-40,48,51H,7-8,11,13,15-21,27H2,1-6H3/t29-,32+,34-,37-,39-,40+,48+/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](NC3=CC=CC=C3N2)C4=CC5=CC=CC=C5C=C4)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C26H24N2O3/c1-15-13-21-23(25(29)22(15)26(30)31-2)24(28-20-10-6-5-9-19(20)27-21)18-12-11-16-7-3-4-8-17(16)14-18/h3-12,14-15,22,24,27-28H,13H2,1-2H3/t15-,22+,24-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)N(C3=O)CC4=CC=C(C=C4)OC)F)COC(=O)C=C)C
InChI: InChI=1S/C23H25FN2O8/c1-5-17(27)31-12-16-18-19(34-23(2,3)33-18)21(32-16)26-11-15(24)20(28)25(22(26)29)10-13-6-8-14(30-4)9-7-13/h5-9,11,16,18-19,21H,1,10,12H2,2-4H3/t16-,18-,19-,21-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C26H15ClFNO5/c27-17-12-14(10-11-18(17)28)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H/t19-,20-,21+/m0/s1
SMILES: C1=CC=C2C(=C1)[C@@H]3[C@@H]([C@@H]([C@@H]3C(=O)O)C(=O)O)C4=CC=CC=C4C2=O
InChI: InChI=1S/C19H14O5/c20-17-11-7-3-1-5-9(11)13-14(10-6-2-4-8-12(10)17)16(19(23)24)15(13)18(21)22/h1-8,13-16H,(H,21,22)(H,23,24)/t13-,14+,15-,16+
SMILES: C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=O)NC2=O)CC#CCNC(=O)C3=CC=C(C=C3)CNC(=O)CCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5
InChI: InChI=1S/C37H52N7O17P3S/c45-30(11-4-3-9-29-33-28(23-65-29)41-36(49)42-33)38-18-6-1-2-10-31(46)40-20-24-12-14-25(15-13-24)34(47)39-19-7-5-8-26-21-44(37(50)43-35(26)48)32-17-16-27(59-32)22-58-63(54,55)61-64(56,57)60-62(51,52)53/h12-15,21,27-29,32-33H,1-4,6,8-11,16-20,22-23H2,(H,38,45)(H,39,47)(H,40,46)(H,54,55)(H,56,57)(H2,41,42,49)(H,43,48,50)(H2,51,52,53)/t27-,28-,29-,32+,33-/m0/s1
SMILES: CC1=CC(=CC2=C1[C@H]3CC[C@@]4([C@@H]([C@@H]3CC2)CC[C@]4(C)O)C)OC
InChI: InChI=1S/C21H30O2/c1-13-11-15(23-4)12-14-5-6-16-17(19(13)14)7-9-20(2)18(16)8-10-21(20,3)22/h11-12,16-18,22H,5-10H2,1-4H3/t16-,17+,18-,20-,21+/m1/s1
SMILES: COC(=O)[C@@]1(C[C@@]1(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C26H23F3O4/c1-32-23(31)25(20-7-9-21(10-8-20)26(27,28)29)17-24(25,18-5-3-2-4-6-18)19-11-13-22(14-12-19)33-16-15-30/h2-14,30H,15-17H2,1H3/t24-,25-/m1/s1