EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C=CC[C@@H]1[C@H](C=C[C@@H]2[C@@H](O1)C[C@@H]3[C@@H](O2)[C@@H]([C@@H]4[C@@H](O3)CC=CCO4)OCC5=CC6=CC=CC=C6C=C5)O[C@@H]([C@@H](C=C)O)C(=O)N7[C@H](COC7=O)CC8=CC=CC=C8
InChI: InChI=1S/C45H49NO10/c1-3-12-34-35(55-40(33(47)4-2)44(48)46-32(27-52-45(46)49)24-28-13-6-5-7-14-28)20-21-36-38(53-34)25-39-42(56-36)43(41-37(54-39)17-10-11-22-50-41)51-26-29-18-19-30-15-8-9-16-31(30)23-29/h3-11,13-16,18-21,23,32-43,47H,1-2,12,17,22,24-27H2/t32-,33+,34+,35-,36+,37-,38-,39+,40-,41-,42+,43+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](N(C1=O)CC2=CC=CC=C2Br)C3=C(C=C(C=C3OC)OC)OC
InChI: InChI=1S/C21H22BrNO6/c1-12(24)29-20-19(18-16(27-3)9-14(26-2)10-17(18)28-4)23(21(20)25)11-13-7-5-6-8-15(13)22/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
SMILES: CCOC(=O)[C@H](C1=CC=CC=C1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)COCC6=CC=CC=C6)COC(=O)C)OCC7=CC=CC=C7)OC(=O)C
InChI: InChI=1S/C55H62O15/c1-5-61-53(58)46(43-29-19-10-20-30-43)69-52-50(66-38(3)57)47(63-32-40-23-13-7-14-24-40)45(36-62-37(2)56)68-55(52)70-48-44(35-60-31-39-21-11-6-12-22-39)67-54(59-4)51(65-34-42-27-17-9-18-28-42)49(48)64-33-41-25-15-8-16-26-41/h6-30,44-52,54-55H,5,31-36H2,1-4H3/t44-,45-,46+,47-,48-,49+,50+,51-,52-,54+,55-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]([C@@H]([C@](CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C19H23NO8/c1-4-27-17(22)15-13(21)10-19(3,24)16(18(23)28-5-2)14(15)11-6-8-12(9-7-11)20(25)26/h6-9,14-16,24H,4-5,10H2,1-3H3/t14-,15-,16-,19-/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](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C51H49N3O7S2/c1-34-18-28-43(29-19-34)63(57,58)54-44(30-36-12-6-3-7-13-36)49(56)52-31-37-20-26-42(27-21-37)50-59-45(35(2)47(60-50)41-24-22-38(32-55)23-25-41)33-62-51-53-46(39-14-8-4-9-15-39)48(61-51)40-16-10-5-11-17-40/h3-29,35,44-45,47,50,54-55H,30-33H2,1-2H3,(H,52,56)/t35-,44+,45+,47+,50+/m0/s1
SMILES: CC(C)[C@H]1[C@@H]([C@@H]1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C=C(Cl)Cl
InChI: InChI=1S/C20H26Cl2N2O/c1-14(2)18-16(12-17(21)22)19(18)20(25)24-10-8-23(9-11-24)13-15-6-4-3-5-7-15/h3-7,12,14,16,18-19H,8-11,13H2,1-2H3/p+1/t16-,18-,19-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)C(=O)NCC9=CC=CC=C9
InChI: InChI=1S/C34H33N3O4/c38-26-11-9-21-15-27-34(40)16-24-23-14-22(32(39)35-17-19-4-2-1-3-5-19)8-10-25(23)36-29(24)31-33(34,28(21)30(26)41-31)12-13-37(27)18-20-6-7-20/h1-5,8-11,14,20,27,31,36,38,40H,6-7,12-13,15-18H2,(H,35,39)/t27-,31+,33+,34-/m1/s1
SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21+/m1/s1
SMILES: C1CCN(CC1)C(=O)[C@@H]2[C@@H](C(=O)N2)OC3=CC=C(C=C3)Cl
InChI: InChI=1S/C15H17ClN2O3/c16-10-4-6-11(7-5-10)21-13-12(17-14(13)19)15(20)18-8-2-1-3-9-18/h4-7,12-13H,1-3,8-9H2,(H,17,19)/t12-,13-/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(=C4)CNC(=O)[C@H](C)OC(=O)C)CN5CCOCC5
InChI: InChI=1S/C35H42N2O7/c1-23-32(21-37-15-17-41-18-16-37)43-35(44-33(23)29-9-7-26(22-38)8-10-29)30-13-11-28(12-14-30)31-6-4-5-27(19-31)20-36-34(40)24(2)42-25(3)39/h4-14,19,23-24,32-33,35,38H,15-18,20-22H2,1-3H3,(H,36,40)/t23-,24+,32+,33+,35+/m1/s1
SMILES: COCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)CCC4CCCC4
InChI: InChI=1S/C26H36N2O6/c1-33-15-13-28(22(30)11-10-17-6-2-3-7-17)20-16-19(26(32)27-12-14-29)23-18-8-4-5-9-21(18)34-25(23)24(20)31/h4-5,8-9,16-17,20,23-25,29,31H,2-3,6-7,10-15H2,1H3,(H,27,32)/t20-,23+,24+,25+/m1/s1
SMILES: CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@](O2)(OC(O3)(C)C)/C=C\CCOCC4=CC=CC=C4)C
InChI: InChI=1S/C22H30O6/c1-20(2)24-15-17-18(26-20)19-22(25-17,28-21(3,4)27-19)12-8-9-13-23-14-16-10-6-5-7-11-16/h5-8,10-12,17-19H,9,13-15H2,1-4H3/b12-8-/t17-,18+,19-,22-/m0/s1
SMILES: C[C@@H]([C@H]1[C@@H]2[C@@H]3[C@@]2(CO1)C(=O)CC3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C17H18O4/c1-10(21-16(19)11-5-3-2-4-6-11)15-14-12-7-8-13(18)17(12,14)9-20-15/h2-6,10,12,14-15H,7-9H2,1H3/t10-,12+,14-,15-,17-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=CC=C(C=C4)OC)C)[C@H](C)C(=O)N(C)CC=C)O
InChI: InChI=1S/C28H37N3O4S/c1-7-14-31(5)26(34)16(2)20-12-13-28(4)15-21-23(17(3)22(28)24(20)32)29-27(36-21)30-25(33)18-8-10-19(35-6)11-9-18/h7-11,16-17,20,22,24,32H,1,12-15H2,2-6H3,(H,29,30,33)/t16-,17-,20-,22+,24-,28-/m0/s1
SMILES: C[C@H]1C[C@H]([C@@H](CN1C)C)N2C3=C(C(=CC(=N3)C)C)C(=O)N2
InChI: InChI=1S/C16H24N4O/c1-9-6-11(3)17-15-14(9)16(21)18-20(15)13-7-12(4)19(5)8-10(13)2/h6,10,12-13H,7-8H2,1-5H3,(H,18,21)/t10-,12+,13-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=CC=C3C(F)(F)F)C(=O)O
InChI: InChI=1S/C14H12F3NO2/c15-14(16,17)10-6-2-5-8-7-3-1-4-9(7)12(13(19)20)18-11(8)10/h1-3,5-7,9,12,18H,4H2,(H,19,20)/t7-,9+,12+/m1/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Br)[N+](=O)[O-]
InChI: InChI=1S/C8H10BrN3O6/c9-6-7(12(16)17)10-2-11(6)8-5(15)4(14)3(1-13)18-8/h2-5,8,13-15H,1H2/t3-,4-,5-,8-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(C)C)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N=[N+]=[N-]
InChI: InChI=1S/C33H32N8O4/c1-22(42)44-29-27(38-39-34)26(45-32(29)41-21-37-28-30(40(2)3)35-20-36-31(28)41)19-43-33(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,20-21,26-27,29,32H,19H2,1-3H3/t26-,27-,29+,32-/m1/s1
SMILES: CC(C[C@@]1([C@@H]2[C@H](CC(=C)[C@@H]3C[C@@H](C(=C)[C@@H]3[C@H]2OC1=O)O[Si](C)(C)C(C)(C)C)OC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)O)OC4CCCCO4
InChI: InChI=1S/C38H64O9Si2/c1-23-19-29(45-34(39)24(2)22-43-48(11,12)36(5,6)7)32-33(31-26(4)28(20-27(23)31)47-49(13,14)37(8,9)10)46-35(40)38(32,41)21-25(3)44-30-17-15-16-18-42-30/h25,27-33,41H,1-2,4,15-22H2,3,5-14H3/t25?,27-,28-,29-,30?,31-,32+,33+,38-/m0/s1
SMILES: C[C@@H]([C@H]1C[C@@H]2CC[C@H]1C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H20Cl2N2O/c1-9(13-7-10-2-3-11(13)6-10)19-16(21)20-12-4-5-14(17)15(18)8-12/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)/t9-,10+,11-,13+/m0/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([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)N(C4=O)C(=O)N)Br
InChI: InChI=1S/C34H27BrClFN4O7/c1-48-25-13-16(35)12-23(28(25)42)27-20-10-11-21-26(31(45)40(29(21)43)33(38)47)22(20)14-24-30(44)41(39-19-8-6-18(37)7-9-19)32(46)34(24,27)15-2-4-17(36)5-3-15/h2-10,12-13,21-22,24,26-27,39,42H,11,14H2,1H3,(H2,38,47)/t21-,22+,24-,26-,27+,34+/m0/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)/C(=C/[N+]#N)/O
InChI: InChI=1S/C10H13N5O5/c11-9-6(4(17)1-14-12)13-3-15(9)10-8(19)7(18)5(2-16)20-10/h1,3,5,7-8,10,16,18-19H,2,11H2/p+1/b4-1-/t5-,7-,8-,10-/m1/s1
SMILES: C1C[C@H]2[C@@H](C1)C3CC2C[C@H]3NCC4=CC(=C(C=C4)F)F
InChI: InChI=1S/C17H21F2N/c18-15-5-4-10(6-16(15)19)9-20-17-8-11-7-14(17)13-3-1-2-12(11)13/h4-6,11-14,17,20H,1-3,7-9H2/t11?,12-,13-,14?,17-/m1/s1
SMILES: C[C@]12CC([C@H]3[C@]1(CC(=O)C2)[C@@H]([C@H]4[C@@H]3[C@@H]5C[C@H]4C=C5)O)COCC6=CC=CC=C6
InChI: InChI=1S/C25H30O3/c1-24-10-18(14-28-13-15-5-3-2-4-6-15)22-20-16-7-8-17(9-16)21(20)23(27)25(22,24)12-19(26)11-24/h2-8,16-18,20-23,27H,9-14H2,1H3/t16-,17+,18?,20-,21+,22+,23+,24+,25+/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=CC=C5C=CC(=O)N(C)C)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C37H54N4O9/c1-5-7-11-18-36(19-12-8-6-2)48-30-27-23-37(35(46)39-20-17-28(43)38-21-22-42)32(34(45)47-27)41(50-33(37)31(30)49-36)24-26-14-10-9-13-25(26)15-16-29(44)40(3)4/h9-10,13-16,27,30-33,42H,5-8,11-12,17-24H2,1-4H3,(H,38,43)(H,39,46)/t27-,30+,31+,32-,33-,37-/m1/s1
SMILES: CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
InChI: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12?,15-,16-,17-,19-,20-,21-,22-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=CC=C3C(=O)[O-])C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H16BrNO2/c20-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(19(22)23)18(15)21-17/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)/p-1/t13-,14+,17+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O
InChI: InChI=1S/C14H15N3O4/c18-13-9-3-1-2-4-10(9)14(19)16-12-7-8(17(20)21)5-6-11(12)15-13/h5-7,9-10H,1-4H2,(H,15,18)(H,16,19)/t9-,10-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)NC4=CC=C(C=C4)C(C)C)N(C1=O)C5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C29H32N6O5S/c1-16(2)18-6-8-19(9-7-18)30-28(38)32-13-4-5-23(32)27(37)33-14-12-22-25(33)17(3)26(36)34(22)29-31-21-11-10-20(35(39)40)15-24(21)41-29/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,30,38)/t17-,22-,23-,25+/m0/s1
SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=CC2=C[N+]3=CC=CC=C3[C@@H]([C@@]2(C4=CC5=CC=CC=[N+]5C=C14)C)O
InChI: InChI=1S/C22H20N2O.2BF4/c1-15-11-16-13-24-10-6-4-8-20(24)21(25)22(16,2)19-12-17-7-3-5-9-23(17)14-18(15)19;2*2-1(3,4)5/h3-14,21,25H,1-2H3;;/q+2;2*-1/t21-,22-;;/m0../s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)OCC4=CC=CC=C4)N=[N+]=[N-]
InChI: InChI=1S/C20H21N3O6S/c1-13-7-9-15(10-8-13)30(24,25)29-19-17(22-23-21)18(16-12-27-20(19)28-16)26-11-14-5-3-2-4-6-14/h2-10,16-20H,11-12H2,1H3/t16-,17+,18-,19-,20-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H]([C@@]2([C@@H]3C(C2C(=O)C=C3C)C([C@@H]1O)(C)C)C)OC(=O)/C(=C\C)/C
InChI: InChI=1S/C25H34O6/c1-9-12(3)22(28)30-19-20(27)24(6,7)18-16-14(5)11-15(26)17(18)25(16,8)21(19)31-23(29)13(4)10-2/h9-11,16-21,27H,1-8H3/b12-9-,13-10-/t16-,17?,18?,19+,20+,21+,25+/m0/s1
SMILES: C[C@H]1COC/C(=C\C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/Cl)/Cl
InChI: InChI=1S/C24H34Cl2N2O5S/c1-13-10-33-11-16(25)6-7-19(18(26)8-17-12-34-15(3)27-17)28-21(30)9-20(29)24(4,5)23(32)14(2)22(13)31/h6,8,12-14,19-20,22,29,31H,7,9-11H2,1-5H3,(H,28,30)/b16-6+,18-8-/t13-,14+,19-,20-,22-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@]2(C(=O)O[C@@H]([C@]2(C(=O)OCC3=CC=CC=C3)O)CO[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C24H36O9Si/c1-21(2,3)34(6,7)31-15-17-23(27,19(25)29-13-16-11-9-8-10-12-16)24(28,20(26)32-17)18-14-30-22(4,5)33-18/h8-12,17-18,27-28H,13-15H2,1-7H3/t17-,18-,23-,24+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)NCCCNCCCN[C@@H]3CCCC[C@H]3NCCCNCCCN2
InChI: InChI=1S/C24H50N6/c1-2-10-22-21(9-1)27-17-5-13-25-15-7-19-29-23-11-3-4-12-24(23)30-20-8-16-26-14-6-18-28-22/h21-30H,1-20H2/t21-,22-,23-,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C(=O)OC
InChI: InChI=1S/C19H23N3O5/c1-12-7-5-6-10-19(12)17(25)22(18(26)21-19)11-15(23)20-14-9-4-3-8-13(14)16(24)27-2/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,20,23)(H,21,26)/t12-,19+/m1/s1
SMILES: C[N+]1=CC=CC=C1COC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]
InChI: InChI=1S/C20H20N6O6S2/c1-25-6-4-3-5-10(25)7-32-12-9-33-18-14(17(28)26(18)15(12)19(29)30)23-16(27)13(24-31-2)11-8-34-20(21)22-11/h3-6,8,14,18H,7,9H2,1-2H3,(H3-,21,22,23,27,29,30)/b24-13-/t14-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH2+]CC2=CC=C(C=C2)OC
InChI: InChI=1S/C18H28N2O2/c1-13-6-4-5-7-17(13)20-18(21)14(2)19-12-15-8-10-16(22-3)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3,(H,20,21)/p+1/t13-,14-,17-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2
InChI: InChI=1S/C18H24N4O2S2/c1-11-6-5-8-13(12(11)2)19-17(25)22-21-16(23)10-26-18-20-14-7-3-4-9-15(14)24-18/h3-4,7,9,11-13H,5-6,8,10H2,1-2H3,(H,21,23)(H2,19,22,25)/t11-,12-,13-/m1/s1
SMILES: C1C[C@]2([C@H]3[C@H](O3)CC=C2N(C1)C(=O)CCBr)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C20H22BrNO4/c21-11-9-17(23)22-12-4-10-20(16(22)8-7-15-18(20)26-15)19(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,8,15,18H,4,7,9-13H2/t15-,18-,20+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)N2CC3=CC=CC=C3)OC4=CC=CC=C4
InChI: InChI=1S/C23H21NO3/c1-26-19-14-12-18(13-15-19)21-22(27-20-10-6-3-7-11-20)23(25)24(21)16-17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F
InChI: InChI=1S/C19H18ClFN2O5/c20-11-5-6-14(21)15(9-11)22-16(24)10-28-17(25)7-8-23-18(26)12-3-1-2-4-13(12)19(23)27/h1-2,5-6,9,12-13H,3-4,7-8,10H2,(H,22,24)/t12-,13-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8
InChI: InChI=1S/C53H49N5O10S/c1-31(2)42(48(62)66-3)55-52(65)57-39-25-24-32(15-12-13-26-59)29-37(39)53(50(57)64)41(47(61)56-51-54-38-22-10-11-23-40(38)69-51)44-49(63)68-45(34-18-8-5-9-19-34)43(33-16-6-4-7-17-33)58(44)46(53)35-20-14-21-36(30-35)67-28-27-60/h4-11,14,16-25,29-31,41-46,59-60H,13,26-28H2,1-3H3,(H,55,65)(H,54,56,61)/t41-,42-,43-,44-,45+,46+,53-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)/C(=C\CO)/COCC3=CC=CC=C3)OCOC)C
InChI: InChI=1S/C20H28O7/c1-20(2)26-18-17(24-13-22-3)16(25-19(18)27-20)15(9-10-21)12-23-11-14-7-5-4-6-8-14/h4-9,16-19,21H,10-13H2,1-3H3/b15-9-/t16-,17+,18-,19-/m1/s1
SMILES: CCC1(OC[C@@H](O1)[C@@H]([C@H]2[C@@H]3[C@H]([C@@H]4[C@@H](O2)CC[C@@H](O4)CC(=O)OC)OC(O3)(CC)CC)O[Si](C)(C)C(C)(C)C)CC
InChI: InChI=1S/C30H54O9Si/c1-11-29(12-2)33-18-21(36-29)24(39-40(9,10)28(5,6)7)25-27-26(37-30(13-3,14-4)38-27)23-20(35-25)16-15-19(34-23)17-22(31)32-8/h19-21,23-27H,11-18H2,1-10H3/t19-,20+,21-,23+,24+,25+,26+,27-/m1/s1
SMILES: CC1=CC=CC=C1CCNC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-15-6-2-3-7-16(15)10-12-23-19(25)14-29-20(26)11-13-24-21(27)17-8-4-5-9-18(17)22(24)28/h2-7,17-18H,8-14H2,1H3,(H,23,25)/t17-,18-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@]3([NH2+]1)C4=C(C(=CC=C4)Cl)NC3=O
InChI: InChI=1S/C18H20ClN3O3/c1-8-11-12(15(24)22(14(11)23)17(2,3)4)18(21-8)9-6-5-7-10(19)13(9)20-16(18)25/h5-8,11-12,21H,1-4H3,(H,20,25)/p+1/t8-,11+,12-,18+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)CN[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=C[N+](=CC=C5)CCCC(=O)ON6C(=O)CCC6=O
InChI: InChI=1S/C44H58N6O7/c1-44(2,3)46-43(56)37-30-48(28-32-13-9-19-47(27-32)20-10-16-41(55)57-50-39(53)17-18-40(50)54)21-22-49(37)29-35(51)24-33(23-31-11-5-4-6-12-31)26-45-42-36-15-8-7-14-34(36)25-38(42)52/h4-9,11-15,19,27,33,35,37-38,42,45,51-52H,10,16-18,20-26,28-30H2,1-3H3/p+1/t33-,35+,37+,38-,42+/m1/s1
SMILES: C[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)N3C(=O)[C@@H]4CC=C(C[C@@H]4C3=O)Cl
InChI: InChI=1S/C21H19ClN2O3/c1-12(24-20(26)16-10-9-14(22)11-17(16)21(24)27)19(25)23-18-8-4-6-13-5-2-3-7-15(13)18/h2-9,12,16-17H,10-11H2,1H3,(H,23,25)/t12-,16+,17-/m0/s1
SMILES: CC1=CC=C(S1)/C(=N\NC(=O)[C@@H]2C[C@H]2C3=CC=CC=C3)/C
InChI: InChI=1S/C17H18N2OS/c1-11-8-9-16(21-11)12(2)18-19-17(20)15-10-14(15)13-6-4-3-5-7-13/h3-9,14-15H,10H2,1-2H3,(H,19,20)/b18-12-/t14-,15+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)C(=O)N)O
InChI: InChI=1S/C34H41N3O5/c1-34(2,3)42-33(41)36-28(19-23-14-8-5-9-15-23)29(38)21-25(18-22-12-6-4-7-13-22)32(40)37-30-26-17-11-10-16-24(26)20-27(30)31(35)39/h4-17,25,27-30,38H,18-21H2,1-3H3,(H2,35,39)(H,36,41)(H,37,40)/t25-,27-,28+,29+,30+/m1/s1
SMILES: CCOC(=O)N(C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@]46C=C[C@@]7([C@@]5(CCC(C7)O)C)C=C6C(=O)C8=CC(=CC=C8)C(F)(F)F)C)O
InChI: InChI=1S/C43H56F3NO5/c1-6-52-36(50)47(24-27-10-11-28-21-31(27)37(28,2)3)25-41(51)17-14-34-39(41,5)16-13-33-38(4)15-12-30(48)22-40(38)18-19-42(33,34)32(23-40)35(49)26-8-7-9-29(20-26)43(44,45)46/h7-9,18-20,23,27-28,30-31,33-34,48,51H,6,10-17,21-22,24-25H2,1-5H3/t27-,28-,30?,31-,33+,34+,38+,39-,40-,41+,42+/m0/s1
SMILES: CN(C)CC1=NC=C(S1)[C@@]23CC[C@H]([C@@H]2C3)N(CCCN4CC[C@H](C4)O)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F
InChI: InChI=1S/C27H35F4N5O2S/c1-34(2)16-24-32-14-23(39-24)26-8-6-22(20(26)13-26)36(10-3-9-35-11-7-18(37)15-35)25(38)33-17-4-5-21(28)19(12-17)27(29,30)31/h4-5,12,14,18,20,22,37H,3,6-11,13,15-16H2,1-2H3,(H,33,38)/t18-,20+,22-,26-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2
InChI: InChI=1S/C20H24N2O3S/c1-13-6-5-8-15(14(13)2)21-18(23)12-25-20(24)11-10-19-22-16-7-3-4-9-17(16)26-19/h3-4,7,9-11,13-15H,5-6,8,12H2,1-2H3,(H,21,23)/b11-10+/t13-,14-,15+/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)[C@@H]4[C@@H](N(C4=O)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C
InChI: InChI=1S/C27H32N2O5S/c1-26(2)18-13-14-27(26)16-35(31,32)29(22(27)15-18)24-23(17-5-9-20(33-3)10-6-17)28(25(24)30)19-7-11-21(34-4)12-8-19/h5-12,18,22-24H,13-16H2,1-4H3/t18-,22-,23+,24-,27-/m1/s1
SMILES: CC1([C@@H]([C@H]1C2=CSC(=N2)N=C(N)N)C3=C4CCOC4=CC=C3)C
InChI: InChI=1S/C17H20N4OS/c1-17(2)13(10-4-3-5-12-9(10)6-7-22-12)14(17)11-8-23-16(20-11)21-15(18)19/h3-5,8,13-14H,6-7H2,1-2H3,(H4,18,19,20,21)/t13-,14-/m1/s1
SMILES: COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1[C@H]([C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)OC(=O)C6=CC=CC=C6)O
InChI: InChI=1S/C28H30N2O5/c1-34-28(33)23-21(31)12-11-17-15-30-14-13-19-18-9-5-6-10-20(18)29-24(19)25(30)26(22(17)23)35-27(32)16-7-3-2-4-8-16/h2-10,17,21-23,25-26,29,31H,11-15H2,1H3/t17-,21-,22-,23-,25+,26+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4
InChI: InChI=1S/C20H27N3O4S/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-21-10-12-22(13-11-21)28(26,27)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2/p+1/t17-,18-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](C(=O)CN1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)[C@H](C6CCCCC6)O
InChI: InChI=1S/C32H33NO4/c1-37-31(36)29-28(30(35)21-12-4-2-5-13-21)27(34)20-33(29)32(22-14-6-3-7-15-22)25-18-10-8-16-23(25)24-17-9-11-19-26(24)32/h3,6-11,14-19,21,28-30,35H,2,4-5,12-13,20H2,1H3/t28-,29-,30-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=COC4=CC=CC=C4C3=O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H28O12/c1-15(30)35-14-24-26(37-16(2)31)27(38-17(3)32)28(39-18(4)33)29(41-24)40-20-11-9-19(10-12-20)22-13-36-23-8-6-5-7-21(23)25(22)34/h5-13,24,26-29H,14H2,1-4H3/t24-,26-,27+,28-,29-/m1/s1
SMILES: CC1=C(C=C(C(=C1C)O)CCC(C)CCCC(C)CCCC(C)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O
InChI: InChI=1S/C30H50O8/c1-18(9-7-11-20(3)13-15-26(32)33)8-6-10-19(2)12-14-23-16-25(21(4)22(5)27(23)34)38-30-29(36)28(35)24(31)17-37-30/h16,18-20,24,28-31,34-36H,6-15,17H2,1-5H3,(H,32,33)/t18?,19?,20?,24-,28+,29-,30+/m1/s1
SMILES: CC[C@@H]1C2(C([C@H](C(=O)[C@@H](C[C@]3([C@@H](C[C@H]([C@H](C(=O)O1)C)OC/C(=N\OCC4=CC=C(S4)Br)/CO3)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)C)C)N=C(O2)N)C
InChI: InChI=1S/C37H57BrN4O10S/c1-10-27-37(7)32(40-35(39)52-37)22(5)30(43)19(2)15-36(6)28(51-34-31(44)25(42(8)9)13-20(3)49-34)14-26(21(4)33(45)50-27)46-16-23(17-47-36)41-48-18-24-11-12-29(38)53-24/h11-12,19-22,25-28,31-32,34,44H,10,13-18H2,1-9H3,(H2,39,40)/b41-23+/t19-,20-,21-,22+,25+,26-,27-,28-,31-,32?,34?,36+,37?/m1/s1
SMILES: C[Si](C)(C)C[C@H]1[C@@H]([C@H](C2=CC=CC=C12)C3=CC=CC=C3)[Si](C)(C)C
InChI: InChI=1S/C22H32Si2/c1-23(2,3)16-20-18-14-10-11-15-19(18)21(22(20)24(4,5)6)17-12-8-7-9-13-17/h7-15,20-22H,16H2,1-6H3/t20-,21+,22+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F
InChI: InChI=1S/C22H33FN4O2/c1-16-5-3-8-20(17(16)2)25-22(29)15-27-11-9-26(10-12-27)14-21(28)24-19-7-4-6-18(23)13-19/h4,6-7,13,16-17,20H,3,5,8-12,14-15H2,1-2H3,(H,24,28)(H,25,29)/p+2/t16-,17+,20-/m0/s1
SMILES: C/C=C/[C@@H]1[C@@H](C(=O)C[C@@H](O1)[C@H]2COC(O2)(C)C)C
InChI: InChI=1S/C14H22O4/c1-5-6-11-9(2)10(15)7-12(17-11)13-8-16-14(3,4)18-13/h5-6,9,11-13H,7-8H2,1-4H3/b6-5+/t9-,11-,12-,13-/m1/s1
SMILES: C1C[C@@H]2C[C@H]3[C@]4(C5=CC=CC=C5C(=O)N4CCC(=O)N3[C@@H]2C1)O
InChI: InChI=1S/C18H20N2O3/c21-16-8-9-19-17(22)12-5-1-2-6-13(12)18(19,23)15-10-11-4-3-7-14(11)20(15)16/h1-2,5-6,11,14-15,23H,3-4,7-10H2/t11-,14-,15+,18+/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)C(=O)NC4=NC=C(C=C4)C(F)(F)F)CC5=CC(=CC=C5)C(=O)NC6=NC=C(C=C6)C(F)(F)F)CC7=CC=CC=C7)O)O
InChI: InChI=1S/C47H40F6N6O5/c48-46(49,50)35-17-19-39(54-25-35)56-43(62)33-15-7-13-31(21-33)27-58-37(23-29-9-3-1-4-10-29)41(60)42(61)38(24-30-11-5-2-6-12-30)59(45(58)64)28-32-14-8-16-34(22-32)44(63)57-40-20-18-36(26-55-40)47(51,52)53/h1-22,25-26,37-38,41-42,60-61H,23-24,27-28H2,(H,54,56,62)(H,55,57,63)/t37-,38-,41+,42+/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)C4=CC=CC(=C4)CNC(=O)OCC=C)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C35H36N2O6S/c1-3-19-41-35(39)36-21-26-7-6-8-30(20-26)27-14-16-29(17-15-27)34-42-31(23-44-32-9-4-5-18-37(32)40)24(2)33(43-34)28-12-10-25(22-38)11-13-28/h3-18,20,24,31,33-34,38H,1,19,21-23H2,2H3,(H,36,39)/t24-,31+,33+,34+/m1/s1
SMILES: CCCOC[C@@H]1[C@@H]2[C@@H]([C@@H]3[C@@H](O1)OC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C15H26O6/c1-6-7-16-8-9-10-11(19-14(2,3)18-10)12-13(17-9)21-15(4,5)20-12/h9-13H,6-8H2,1-5H3/t9-,10-,11+,12-,13+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C=C2C)OC)C(C)C)/C#N
InChI: InChI=1S/C22H30N2O2/c1-14(2)19-12-17(16(4)10-21(19)26-5)11-18(13-23)22(25)24-20-9-7-6-8-15(20)3/h10-12,14-15,20H,6-9H2,1-5H3,(H,24,25)/b18-11+/t15-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32
InChI: InChI=1S/C20H26N2O5/c1-14-6-2-3-7-15(14)21-18(23)13-27-20(25)12-22-16-8-4-5-9-17(16)26-11-10-19(22)24/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,21,23)/t14-,15+/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)C(=O)N(C3=O)C5=CC=C(C=C5)I)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)I
InChI: InChI=1S/C33H23F3I2N2O6/c34-33(35,36)46-19-9-12-25(41)23(13-19)26-20-10-11-21-27(31(44)39(29(21)42)17-5-1-15(37)2-6-17)22(20)14-24-28(26)32(45)40(30(24)43)18-7-3-16(38)4-8-18/h1-10,12-13,21-22,24,26-28,41H,11,14H2/t21-,22+,24+,26+,27-,28+/m0/s1
SMILES: CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)Br)O)C)C)OC(=O)CC
InChI: InChI=1S/C28H41BrO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h16-17,19-21,31H,6-15H2,1-5H3/t16-,17-,19-,20-,21-,25-,26-,27-,28-/m0/s1
SMILES: CC/C=C(\C[C@]1(C[C@@]1(C(=O)OC)Br)C(=O)OC)/C2=CC=CC=C2
InChI: InChI=1S/C18H21BrO4/c1-4-8-14(13-9-6-5-7-10-13)11-17(15(20)22-2)12-18(17,19)16(21)23-3/h5-10H,4,11-12H2,1-3H3/b14-8+/t17-,18-/m0/s1
SMILES: C1C[C@@H]2[C@H](C2C(=O)NC3=CC=CC(=C3)C(F)(F)F)CCC=C1
InChI: InChI=1S/C17H18F3NO/c18-17(19,20)11-6-5-7-12(10-11)21-16(22)15-13-8-3-1-2-4-9-14(13)15/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,21,22)/t13-,14-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H19FN2O4/c1-30-19-13-11-17(12-14-19)26-23(28)20-21(15-7-9-16(25)10-8-15)27(31-22(20)24(26)29)18-5-3-2-4-6-18/h2-14,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)N(CC(=O)C4=CC=C(C=C4)F)C(=O)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H17Cl2FN2O4/c25-15-5-8-17(18(26)10-15)22(31)28(11-19(30)12-3-6-16(27)7-4-12)29-23(32)20-13-1-2-14(9-13)21(20)24(29)33/h1-8,10,13-14,20-21H,9,11H2/t13-,14+,20+,21-
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H]2C[C@H]2C)C
InChI: InChI=1S/C16H24N2O3S/c1-5-18(6-2)22(20,21)15-10-13(8-7-11(15)3)17-16(19)14-9-12(14)4/h7-8,10,12,14H,5-6,9H2,1-4H3,(H,17,19)/t12-,14+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H]3COC(=O)S3)OC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C17H18O7S/c1-17(2)23-13-12(21-14(18)9-6-4-3-5-7-9)11(22-15(13)24-17)10-8-20-16(19)25-10/h3-7,10-13,15H,8H2,1-2H3/t10-,11+,12-,13+,15+/m0/s1
SMILES: CSCC[C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4)[C@@]5(N1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C24H23N3O5S/c1-33-11-8-16-19-20(24(26-16)14-4-2-3-5-15(14)25-23(24)30)22(29)27(21(19)28)13-6-7-17-18(12-13)32-10-9-31-17/h2-7,12,16,19-20,26H,8-11H2,1H3,(H,25,30)/t16-,19-,20-,24+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C50H65N3O10/c1-4-25-53(49(57)59-30-29-58-34-36-17-9-7-10-18-36)45-33-43(52-61-35-37-19-11-8-12-20-37)41-31-38(21-13-15-26-54)40(22-14-16-27-55)46-42-32-39(62-48(56)51-6-3)23-24-44(42)63-50(45,47(41)46)60-28-5-2/h5,7-12,17-20,23-24,31-32,38,40,45-47,54-55H,2,4,6,13-16,21-22,25-30,33-35H2,1,3H3,(H,51,56)/t38-,40+,45-,46+,47+,50+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](SC(=N2)N)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H18N2OS/c23-22-24-19(17-9-5-2-6-10-17)21(26-22)20(25)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19,21H,(H2,23,24)/t19-,21+/m0/s1
SMILES: C1C[C@H](OC1)CNC(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@@H]3[C@H]5CC[C@@H]4C5)C6=CC=CC=C6
InChI: InChI=1S/C26H30N2O2/c29-26(27-15-20-7-4-12-30-20)19-10-11-22-21(14-19)23-17-8-9-18(13-17)24(23)25(28-22)16-5-2-1-3-6-16/h1-3,5-6,10-11,14,17-18,20,23-25,28H,4,7-9,12-13,15H2,(H,27,29)/t17-,18+,20-,23+,24+,25+/m0/s1