EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)/C=C/3\C(=O)[C@@H]4[C@@H]([C@H](O3)CO4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C
InChI: InChI=1S/C28H30O8/c1-28(2)35-26-23(30-14-17-9-5-3-6-10-17)20(34-27(26)36-28)13-19-22(29)25-24(21(33-19)16-32-25)31-15-18-11-7-4-8-12-18/h3-13,20-21,23-27H,14-16H2,1-2H3/b19-13+/t20-,21-,23+,24-,25-,26-,27-/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2
InChI: InChI=1S/C15H24N2O4/c1-9-8-12(9)14(19)21-10(2)13(18)17-15(20)16-11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3,(H2,16,17,18,20)/t9-,10-,12-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C19H18N2O4S/c22-21(23)15-9-11-16(12-10-15)26(24,25)20-13-18(14-5-2-1-3-6-14)17-7-4-8-19(17)20/h1-6,8-12,17-19H,7,13H2/t17-,18+,19-/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CC#C[Si](C)(C)C)OCC2=CC=CC=C2)C=C)OCC3=CC=CC=C3
InChI: InChI=1S/C28H36O4Si/c1-6-24-26(30-20-22-14-9-7-10-15-22)25(18-13-19-33(3,4)5)32-28(29-2)27(24)31-21-23-16-11-8-12-17-23/h6-12,14-17,24-28H,1,18,20-21H2,2-5H3/t24-,25+,26-,27-,28-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)C)C(=O)C(C)(C)C
InChI: InChI=1S/C33H31NO3/c1-19-10-13-21(14-11-19)27-28(31(37)32(3,4)5)34-25-16-12-20(2)18-22(25)15-17-26(34)33(27)29(35)23-8-6-7-9-24(23)30(33)36/h6-18,26-28H,1-5H3/t26-,27+,28-/m1/s1
SMILES: CC1=C(SC(=N1)NC=O)C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)[C@@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H40N6O12S/c1-15-26(49-30(33-15)32-14-37)28(43)34-20-11-21(27(42)31-9-8-10-35(6)7)36(12-20)29-25(47-19(5)41)24(46-18(4)40)23(45-17(3)39)22(48-29)13-44-16(2)38/h11-12,14,22-25,29H,8-10,13H2,1-7H3,(H,31,42)(H,34,43)(H,32,33,37)/t22-,23-,24-,25-,29+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C17H20N2O5/c1-11-8-19(17(22)18-16(11)21)15-7-13(20)14(24-15)10-23-9-12-5-3-2-4-6-12/h2-6,8,13-15,20H,7,9-10H2,1H3,(H,18,21,22)/t13-,14+,15+/m0/s1
SMILES: CO[C@@]12COC3=CC4=C(C=C3[C@@]1(C(=O)C5=C(O2)C=C6C(=C5)C=CO6)O)OCO4
InChI: InChI=1S/C20H14O8/c1-23-19-8-25-15-7-17-16(26-9-27-17)5-12(15)20(19,22)18(21)11-4-10-2-3-24-13(10)6-14(11)28-19/h2-7,22H,8-9H2,1H3/t19-,20+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CO2)C3=CC=C(C=C3)Br
InChI: InChI=1S/C19H17BrO4/c1-2-23-19(22)18-15(12-5-7-14(20)8-6-12)10-13(11-16(18)21)17-4-3-9-24-17/h3-9,11,15,18H,2,10H2,1H3/t15-,18+/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=C(C=C3)OC)[C@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C24H25N3O4/c1-13(2)20-18-19(24(26-20)16-6-4-5-7-17(16)25-23(24)30)22(29)27(21(18)28)12-14-8-10-15(31-3)11-9-14/h4-11,13,18-20,26H,12H2,1-3H3,(H,25,30)/p+1/t18-,19+,20+,24+/m0/s1
SMILES: COC1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=C[C@H]([C@H]([C@@H](C2)O)O)NC(=O)C3=CN=CC=C3
InChI: InChI=1S/C23H26N4O6/c1-33-16-6-4-13(5-7-16)9-18(21(24)30)27-23(32)15-10-17(20(29)19(28)11-15)26-22(31)14-3-2-8-25-12-14/h2-8,10,12,17-20,28-29H,9,11H2,1H3,(H2,24,30)(H,26,31)(H,27,32)/t17-,18+,19-,20-/m1/s1
SMILES: C[C@H](C1=CC=C(C=C1)OC)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)O
InChI: InChI=1S/C18H19NO5/c1-10(11-3-5-12(23-2)6-4-11)19-9-18-8-7-13(24-18)14(17(21)22)15(18)16(19)20/h3-8,10,13-15H,9H2,1-2H3,(H,21,22)/t10-,13-,14-,15+,18-/m1/s1
SMILES: CCC(=O)C(=O)N(CCC1=CC(=CC=C1)OC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C28H32N2O7/c1-3-22(32)28(35)30(13-11-17-7-6-8-18(15-17)36-2)21-16-20(27(34)29-12-14-31)24-19-9-4-5-10-23(19)37-26(24)25(21)33/h4-10,15-16,21,24-26,31,33H,3,11-14H2,1-2H3,(H,29,34)/t21-,24+,25+,26+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H22O9S/c1-7(16)20-6-11-12(21-8(2)17)13(22-9(3)18)14(23-10(4)19)15(24-11)25-5/h11-15H,6H2,1-5H3/t11-,12-,13+,14-,15+/m1/s1
SMILES: C/C=C/C=C/C=C/C1=C2[C@H]3[C@@H](O1)C=CC(=O)[C@H]3C(CC(CC(OC2=O)C)O)O
InChI: InChI=1S/C22H26O6/c1-3-4-5-6-7-8-17-21-20-18(28-17)10-9-15(24)19(20)16(25)12-14(23)11-13(2)27-22(21)26/h3-10,13-14,16,18-20,23,25H,11-12H2,1-2H3/b4-3+,6-5+,8-7+/t13?,14?,16?,18-,19-,20-/m0/s1
SMILES: C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1OC(=O)CC3(C4=C(CCO3)C5=CC=CC=C5N4)C
InChI: InChI=1S/C24H31NO3/c1-14-18-11-15(23(18,2)3)12-20(14)28-21(26)13-24(4)22-17(9-10-27-24)16-7-5-6-8-19(16)25-22/h5-8,14-15,18,20,25H,9-13H2,1-4H3/t14-,15+,18-,20-,24?/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CN=CC=C2)OS(=O)(=O)O)OCC=C)OS(=O)(=O)O
InChI: InChI=1S/C16H23NO12S2/c1-3-7-26-14-13(28-30(18,19)20)12(10-25-9-11-5-4-6-17-8-11)27-16(24-2)15(14)29-31(21,22)23/h3-6,8,12-16H,1,7,9-10H2,2H3,(H,18,19,20)(H,21,22,23)/t12-,13-,14+,15+,16+/m1/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=N4)C(=O)C(C)(C)C
InChI: InChI=1S/C25H24N4O5/c1-13-9-10-15(29(33)34)11-17(13)27-23(31)18-19(24(27)32)21(22(30)25(2,3)4)28-20(18)16-8-6-5-7-14(16)12-26-28/h5-12,18-21H,1-4H3/t18-,19-,20-,21+/m1/s1
SMILES: CC1=C2[C@H]3[C@H](C3(C)C)CC2=C(S1)C(=O)CNC4=CC=C(C=C4)CCO
InChI: InChI=1S/C21H25NO2S/c1-12-18-15(10-16-19(18)21(16,2)3)20(25-12)17(24)11-22-14-6-4-13(5-7-14)8-9-23/h4-7,16,19,22-23H,8-11H2,1-3H3/t16-,19-/m1/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)CC4CCCC4)C(=O)NCCO
InChI: InChI=1S/C30H42IN3O8/c1-40-26-15-21(19-36)14-23(31)29(26)42-25-18-22(30(39)32-6-11-35)17-24(28(25)38)34(8-7-33-9-12-41-13-10-33)27(37)16-20-4-2-3-5-20/h14-15,18-20,24-25,28,35,38H,2-13,16-17H2,1H3,(H,32,39)/t24-,25+,28+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C[C@@]([C@@H]2C(=O)OC)(C)O)C(=O)OC
InChI: InChI=1S/C18H22O6/c1-10-5-7-11(8-6-10)13-14(16(20)23-3)12(19)9-18(2,22)15(13)17(21)24-4/h5-8,13-15,22H,9H2,1-4H3/t13-,14+,15-,18+/m0/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@](C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI: InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2/t18-,22-,26?,27-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C46H40N4O7/c1-28(30-14-5-2-6-15-30)48-45(56)49-36-25-20-29(13-11-12-26-51)27-35(36)46(44(49)55)37(42(47)53)39-43(54)57-40(32-18-9-4-10-19-32)38(31-16-7-3-8-17-31)50(39)41(46)33-21-23-34(52)24-22-33/h2-10,14-25,27-28,37-41,51-52H,12,26H2,1H3,(H2,47,53)(H,48,56)/t28-,37+,38+,39+,40-,41-,46+/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)O)N2C3=CC=CC=C3F
InChI: InChI=1S/C15H15FN2O6S2/c16-9-3-1-2-4-10(9)18-11-7-26(22,23)8-12(11)25-15(18)17-13(19)5-24-6-14(20)21/h1-4,11-12H,5-8H2,(H,20,21)/t11-,12+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CS8
InChI: InChI=1S/C39H33ClFN3O6S/c40-23-9-7-22(8-10-23)39-31(36(47)44(38(39)49)42-25-13-11-24(41)12-14-25)20-30-27(34(39)28-5-1-2-6-32(28)50-18-17-45)15-16-29-33(30)37(48)43(35(29)46)21-26-4-3-19-51-26/h1-15,19,29-31,33-34,42,45H,16-18,20-21H2/t29-,30+,31-,33-,34+,39+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)/N=C\C4=CC=C(S4)[N+](=O)[O-]
InChI: InChI=1S/C14H11N3O4S/c18-13-11-7-1-2-8(5-7)12(11)14(19)16(13)15-6-9-3-4-10(22-9)17(20)21/h1-4,6-8,11-12H,5H2/b15-6-/t7-,8+,11-,12+
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H](CN[C@H](C(=O)N3)[C@@H](COC(=O)C4=CC=CC=C4)OCOC)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C40H46N2O8Si/c1-40(2,3)51(31-21-13-7-14-22-31,32-23-15-8-16-24-32)49-26-33-34(50-39(45)30-19-11-6-12-20-30)25-41-36(37(43)42-33)35(48-28-46-4)27-47-38(44)29-17-9-5-10-18-29/h5-24,33-36,41H,25-28H2,1-4H3,(H,42,43)/t33-,34-,35+,36-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)N
InChI: InChI=1S/C21H21NO7/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,23H,7-8,22H2,1-2H3/t12?,17-,18+,19?/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3/C(=N/OCC(=O)O)/CC4.O
InChI: InChI=1S/C20H24N2O5.H2O/c1-22-8-7-20-12-4-5-13(21-26-10-16(23)24)19(20)27-18-15(25-2)6-3-11(17(18)20)9-14(12)22;/h3,6,12,14,19H,4-5,7-10H2,1-2H3,(H,23,24);1H2/b21-13+;/t12-,14+,19+,20-;/m0./s1
SMILES: CC1=C(CC[C@@]2([C@H]1C(=O)OC2)COCOC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H32O5Si/c1-13-14(23-24(6,7)17(2,3)4)8-9-18(10-21-12-20-5)11-22-16(19)15(13)18/h15H,8-12H2,1-7H3/t15-,18-/m1/s1
SMILES: CC(=O)OC[C@H]([C@H]([C@@H]([C@@H]([C@H]1C(=C(S[C@]1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)N(C)CC4=CC=CC=C4)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C41H45N3O14S/c1-24(45)54-23-33(55-25(2)46)36(56-26(3)47)38(58-28(5)49)37(57-27(4)48)34-35(44(51)52)39(43(6)22-29-14-10-8-11-15-29)59-41(34,30-16-12-9-13-17-30)40(50)42-31-18-20-32(53-7)21-19-31/h8-21,33-34,36-38H,22-23H2,1-7H3,(H,42,50)/t33-,34-,36-,37-,38+,41+/m1/s1
SMILES: CC(C)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C
InChI: InChI=1S/C26H44N2O2/c1-16(2)28(17(3)4)24(30)21-10-9-19-18-8-11-22-26(6,15-13-23(29)27(22)7)20(18)12-14-25(19,21)5/h16-22H,8-15H2,1-7H3/t18-,19-,20-,21+,22+,25-,26+/m0/s1
SMILES: C[C@@H](C(=O)OCCN1C(=O)C2=CC=CC=C2C1=O)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H22N2O6/c1-12(23-19(26)15-8-4-5-9-16(15)20(23)27)21(28)29-11-10-22-17(24)13-6-2-3-7-14(13)18(22)25/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3/t12-,15-,16+/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[C@@H](O6)OCCN(CCO)S(=O)(=O)C7=CC=C(C=C7)OC)C8=CC9=C(C=C8)OCO9)OC)OC)OC)OC
InChI: InChI=1S/C53H65N3O13S/c1-7-33-31-54-16-14-35-25-46(62-3)48(64-5)29-41(35)43(54)22-37(33)23-44-42-30-49(65-6)47(63-4)26-36(42)15-17-56(44)53(58)51-27-38(34-8-13-45-50(24-34)68-32-67-45)28-52(69-51)66-21-19-55(18-20-57)70(59,60)40-11-9-39(61-2)10-12-40/h8-13,24-27,29-30,33,37-38,43-44,52,57H,7,14-23,28,31-32H2,1-6H3/t33-,37+,38-,43-,44+,52+/m0/s1
SMILES: C[C@@H]([C@@H]1CCC[C@@]1(C)C2=CC=CC=C2)SC3=CC=CC=C3
InChI: InChI=1S/C20H24S/c1-16(21-18-12-7-4-8-13-18)19-14-9-15-20(19,2)17-10-5-3-6-11-17/h3-8,10-13,16,19H,9,14-15H2,1-2H3/t16-,19-,20-/m0/s1
SMILES: CC1=C(C(=O)C[C@H]1OC(=O)[C@H]2[C@@H](C2(C)C)C=C(C)C)CC=C
InChI: InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17+/m0/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@]3(C4=CC=CC=C4N(C3=O)C)C(C(=N)C2C#N)(C#N)C#N
InChI: InChI=1S/C25H25N5O/c1-23(2,3)15-9-10-16-17(12-26)21(29)24(13-27,14-28)25(19(16)11-15)18-7-5-6-8-20(18)30(4)22(25)31/h5-8,10,15,17,19,29H,9,11H2,1-4H3/t15-,17?,19-,25+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCCC=C)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C19H25NO4/c1-3-5-6-7-15-18(19(21)22-4-2)14(11-20-15)13-8-9-16-17(10-13)24-12-23-16/h3,8-10,14-15,18,20H,1,4-7,11-12H2,2H3/t14-,15+,18-/m1/s1
SMILES: CC1=C(N=C(S1)NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H23N3O4S/c1-12-18(13-7-9-14(28-2)10-8-13)23-21(29-12)22-17(25)11-24-19(26)15-5-3-4-6-16(15)20(24)27/h7-10,15-16H,3-6,11H2,1-2H3,(H,22,23,25)/t15-,16+
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C14H15ClN2O4S2/c1-21-6-13(18)16-14-17(10-4-2-3-9(15)5-10)11-7-23(19,20)8-12(11)22-14/h2-5,11-12H,6-8H2,1H3/t11-,12+/m0/s1
SMILES: C[C@@]12C[C@@H]([C@@H](C(=O)N1CC3=CC=C(C=C3)F)C(=O)O)C4=CC=CC=C4O2
InChI: InChI=1S/C20H18FNO4/c1-20-10-15(14-4-2-3-5-16(14)26-20)17(19(24)25)18(23)22(20)11-12-6-8-13(21)9-7-12/h2-9,15,17H,10-11H2,1H3,(H,24,25)/t15-,17+,20-/m1/s1
SMILES: CN1C2CCC1[C@H]3[C@@H](C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC(=CC=C4)F
InChI: InChI=1S/C21H18FN5/c1-27-14-5-6-17(27)18-15(8-14)16(9-23)20(26)21(10-24,11-25)19(18)12-3-2-4-13(22)7-12/h2-4,7-8,14,17-19H,5-6,26H2,1H3/t14?,17?,18-,19-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3
InChI: InChI=1S/C18H29N5O/c1-14-5-3-6-16(15(14)2)21-17(24)13-22-9-11-23(12-10-22)18-19-7-4-8-20-18/h4,7-8,14-16H,3,5-6,9-13H2,1-2H3,(H,21,24)/p+1/t14-,15+,16+/m0/s1
SMILES: CCCN(CCN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4)S(=O)(=O)CCC
InChI: InChI=1S/C29H40N2O7S/c1-5-14-31(39(33,34)17-6-2)16-15-30-19-24(22-10-13-25-26(18-22)38-20-37-25)27(29(32)36-7-3)28(30)21-8-11-23(35-4)12-9-21/h8-13,18,24,27-28H,5-7,14-17,19-20H2,1-4H3/t24-,27-,28+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCO
InChI: InChI=1S/C11H15N5O5/c17-1-5-7(19)8(20)11(21-5)16-3-14-6-9(15-4-18)12-2-13-10(6)16/h2-3,5,7-8,11,17-20H,1,4H2,(H,12,13,15)/t5-,7-,8-,11-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](C#N)N(CC2=CC=CC=C2)O[Si](C)(C)C)COCC3=CC=CC=C3)C
InChI: InChI=1S/C25H34N2O4Si/c1-25(2)29-23(19-28-18-21-14-10-7-11-15-21)24(30-25)22(16-26)27(31-32(3,4)5)17-20-12-8-6-9-13-20/h6-15,22-24H,17-19H2,1-5H3/t22-,23+,24+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=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)C5=CC(=CC=C5)F
InChI: InChI=1S/C31H36FN3O4S/c1-18(19-8-5-4-6-9-19)33-26(38)15-22-27-23(16-24-30(22,2)13-12-25(37)31(24,3)17-36)40-29(34-27)35-28(39)20-10-7-11-21(32)14-20/h4-11,14,18,22,24-25,36-37H,12-13,15-17H2,1-3H3,(H,33,38)(H,34,35,39)/t18-,22-,24+,25-,30+,31+/m1/s1
SMILES: CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H29N3O4S2/c1-22-27(43-21-35-22)18-17-26-20-42-33-29(36-28(38)19-23-11-5-2-6-12-23)32(39)37(33)30(26)34(40)41-31(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-18,21,29,31,33H,19-20H2,1H3,(H,36,38)/b18-17-/t29-,33-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)N(C(=O)O2)[S@](=O)CC3=CC=CC=C3
InChI: InChI=1S/C14H17NO3S/c16-14-15(12-8-4-5-9-13(12)18-14)19(17)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13+,19-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H](C)C(=O)C2=CC(=C(O2)CCCCCCO)C3=CC=CC(=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C31H35NO6/c1-20-12-11-15-24(18-20)25-19-27(37-26(25)16-9-4-5-10-17-33)28(34)21(2)30(35)32-22(3)29(38-31(32)36)23-13-7-6-8-14-23/h6-8,11-15,18-19,21-22,29,33H,4-5,9-10,16-17H2,1-3H3/t21-,22-,29-/m1/s1
SMILES: COC1=C(C=C(C(=C1)COC(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O)[N+](=O)[O-])OC
InChI: InChI=1S/C19H20FN3O11/c1-30-13-3-9(11(23(28)29)4-14(13)31-2)7-32-19(27)33-8-15-12(24)5-16(34-15)22-6-10(20)17(25)21-18(22)26/h3-4,6,12,15-16,24H,5,7-8H2,1-2H3,(H,21,25,26)/t12-,15+,16+/m0/s1
SMILES: CC[NH+](CC)CC.C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[P+](=O)[O-])OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H33O9P.C6H15N/c35-33(28-19-11-4-12-20-28)42-31-30(39-22-26-15-7-2-8-16-26)29(24-38-21-25-13-5-1-6-14-25)41-34(43-44(36)37)32(31)40-23-27-17-9-3-10-18-27;1-4-7(5-2)6-3/h1-20,29-32,34H,21-24H2;4-6H2,1-3H3/p+1/t29-,30-,31+,32-,34?;/m1./s1
SMILES: CC(C)[14C@@H]([14C](=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)[NH3+].[Cl-]
InChI: InChI=1S/C15H26N2O3S.ClH/c1-9(2)12(16)13(18)17-11-7-10-5-6-15(11,14(10,3)4)8-21(17,19)20;/h9-12H,5-8,16H2,1-4H3;1H/t10-,11-,12+,15-;/m1./s1/i12+2,13+2;
SMILES: COC(=O)COC1=CC=C(C=C1)[C@H]2[C@H]3CC=C[C@@H]3C4=C(C=CC(=C4N2)Cl)C(=O)O
InChI: InChI=1S/C22H20ClNO5/c1-28-18(25)11-29-13-7-5-12(6-8-13)20-15-4-2-3-14(15)19-16(22(26)27)9-10-17(23)21(19)24-20/h2-3,5-10,14-15,20,24H,4,11H2,1H3,(H,26,27)/t14-,15-,20-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC(=CS3)C4=CC=C(S4)C[N+]5(CCCC5)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C23H27N3O4S3/c1-12-18-17(13(2)27)21(28)25(18)19(22(29)30)20(12)33-23-24-15(11-31-23)16-7-6-14(32-16)10-26(3)8-4-5-9-26/h6-7,11-13,17-18,27H,4-5,8-10H2,1-3H3/p+1/t12-,13-,17-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=CC=C(O3)C(=O)OC
InChI: InChI=1S/C16H20N2O5/c1-10-5-3-4-8-16(10)14(20)18(15(21)17-16)9-11-6-7-12(23-11)13(19)22-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21)/t10-,16-/m1/s1
SMILES: C[C@@H]1C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C1=O)C)O)C)CCO)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O)(C)O
InChI: InChI=1S/C28H50O11/c1-13-11-27(7,35)24(32)16(4)23(39-20-12-28(8,36)25(33)18(6)37-20)17(5)26(34)38-19(9-10-29)14(2)22(31)15(3)21(13)30/h13-20,22-25,29,31-33,35-36H,9-12H2,1-8H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COP(=O)([O-])OCC[N+](C)(C)C)O)O)O)O)O)O
InChI: InChI=1S/C25H50NO14P/c1-5-6-7-8-9-10-12-35-24-22(31)20(29)18(27)16(39-24)14-36-25-23(32)21(30)19(28)17(40-25)15-38-41(33,34)37-13-11-26(2,3)4/h16-25,27-32H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21+,22-,23-,24-,25-/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCC2=CC=CC=C2)NC(=O)CN=C(N)N)OCC3=CC=C(C=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C30H36N4O6/c1-37-19-24-27(36)28(38-17-21-12-14-23(15-13-21)22-10-6-3-7-11-22)26(34-25(35)16-33-30(31)32)29(40-24)39-18-20-8-4-2-5-9-20/h2-15,24,26-29,36H,16-19H2,1H3,(H,34,35)(H4,31,32,33)/t24-,26-,27-,28-,29?/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=C4CNC(=O)C5=NC6=CC=CC=C6N=C5)CSC7=NN=NN7C8=CC=CC=C8
InChI: InChI=1S/C42H37N7O4S/c1-27-38(26-54-42-46-47-48-49(42)33-10-3-2-4-11-33)52-41(53-39(27)30-17-15-28(25-50)16-18-30)31-21-19-29(20-22-31)34-12-6-5-9-32(34)23-44-40(51)37-24-43-35-13-7-8-14-36(35)45-37/h2-22,24,27,38-39,41,50H,23,25-26H2,1H3,(H,44,51)/t27-,38+,39+,41+/m1/s1
SMILES: C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](N(C(=O)N2)CC3=CC(=CC=C3)/C(=N/O)/N)CC4=CC=CC=C4)O
InChI: InChI=1S/C27H30N4O3/c28-26(30-34)22-13-7-12-21(16-22)18-31-24(17-20-10-5-2-6-11-20)25(32)23(29-27(31)33)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,32,34H,14-15,17-18H2,(H2,28,30)(H,29,33)/t23-,24-,25-/m1/s1
SMILES: CO[C@@]12[C@@H](C3=C(N1C[C@H]4[C@@H]2N4)C(=O)C(=C(C3=O)N)COCC5=CC=CC=C5)COC(=O)N
InChI: InChI=1S/C22H24N4O6/c1-30-22-13(10-32-21(24)29)15-17(26(22)7-14-20(22)25-14)18(27)12(16(23)19(15)28)9-31-8-11-5-3-2-4-6-11/h2-6,13-14,20,25H,7-10,23H2,1H3,(H2,24,29)/t13-,14+,20+,22-/m1/s1
SMILES: COC1=CC=CC(=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C5CCCC5
InChI: InChI=1S/C21H21NO3/c1-25-14-8-4-7-13(11-14)22-20(23)18-15-9-10-16(19(18)21(22)24)17(15)12-5-2-3-6-12/h4,7-11,15-16,18-19H,2-3,5-6H2,1H3/t15-,16+,18+,19-
SMILES: C[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)C)C(C)C)[C@@H](C)O)COCC2=CC=CC=C2
InChI: InChI=1S/C26H39N3O8/c1-14(2)20-24(33)29-21(17(5)30)25(34)27-19(13-36-12-18-9-7-6-8-10-18)26(35)37-11-15(3)22(31)16(4)23(32)28-20/h6-10,14-17,19-22,30-31H,11-13H2,1-5H3,(H,27,34)(H,28,32)(H,29,33)/t15-,16+,17+,19-,20-,21-,22+/m0/s1
SMILES: CCSC1(C[C@@H]2[C@H](C[C@@H]3[C@@](O2)([C@H](C[C@H](O3)CCCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)SCC
InChI: InChI=1S/C48H82O6S2Si3/c1-17-55-48(56-18-2)34-40-39(52-43(48)35-50-57(13,14)44(3,4)5)33-41-47(12,53-40)42(54-58(15,16)45(6,7)8)32-36(51-41)26-25-31-49-59(46(9,10)11,37-27-21-19-22-28-37)38-29-23-20-24-30-38/h19-24,27-30,36,39-43H,17-18,25-26,31-35H2,1-16H3/t36-,39+,40-,41-,42+,43-,47-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OCC5=CC=CC=C5
InChI: InChI=1S/C26H36O2/c1-25-14-12-20(28-17-18-6-4-3-5-7-18)16-19(25)8-9-21-22-10-11-24(27)26(22,2)15-13-23(21)25/h3-7,19-23H,8-17H2,1-2H3/t19-,20+,21+,22+,23+,25+,26+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N3N=CN=N3
InChI: InChI=1S/C11H17N6O13P3/c1-6-3-16(11(19)14-10(6)18)9-2-7(17-13-5-12-15-17)8(28-9)4-27-32(23,24)30-33(25,26)29-31(20,21)22/h3,5,7-9H,2,4H2,1H3,(H,23,24)(H,25,26)(H,14,18,19)(H2,20,21,22)/t7-,8+,9+/m0/s1
SMILES: CCCCCCCC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1OC[C@H]4CO4)O
InChI: InChI=1S/C24H35NO7/c1-2-3-4-5-9-12-19(26)25-20-21(27)22-18(31-24(20)29-14-17-13-28-17)15-30-23(32-22)16-10-7-6-8-11-16/h6-8,10-11,17-18,20-24,27H,2-5,9,12-15H2,1H3,(H,25,26)/t17-,18-,20-,21-,22-,23-,24-/m1/s1
SMILES: C[C@@H](C/C=C/[C@H](C)C[C@@]1([C@H](O1)COC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)C)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C30H35F3O4/c1-22(18-19-24-14-7-5-8-15-24)12-11-13-23(2)20-28(3)26(37-28)21-36-27(34)29(35-4,30(31,32)33)25-16-9-6-10-17-25/h5-11,13-19,22-23,26H,12,20-21H2,1-4H3/b13-11+,19-18+/t22-,23-,26+,28+,29?/m0/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C[N+]3=CC(=NN3)C[N+]4=CC=CC5=C4CCC5
InChI: InChI=1S/C19H21N5O5S/c1-19(17(18(26)27)24-15(25)8-16(24)30(19,28)29)11-23-10-13(20-21-23)9-22-7-3-5-12-4-2-6-14(12)22/h3,5,7,10,16-17H,2,4,6,8-9,11H2,1H3/p+2/t16-,17+,19+/m1/s1
SMILES: C1COCC1NC2=C3C(=NC(=N2)N4C=C(C=N4)C(=O)NCC5=CC=C(C=C5)Cl)N(C=N3)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O
InChI: InChI=1S/C25H27ClN8O6/c26-15-3-1-13(2-4-15)7-27-23(38)14-8-29-34(9-14)25-31-21(30-16-5-6-39-11-16)18-22(32-25)33(12-28-18)24-20(37)19(36)17(10-35)40-24/h1-4,8-9,12,16-17,19-20,24,35-37H,5-7,10-11H2,(H,27,38)(H,30,31,32)/t16?,17-,19-,20-,24-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6
InChI: InChI=1S/C33H33N3O2/c1-2-38-26-10-7-25(8-11-26)29-30(31(37)32-16-21-13-22(17-32)15-23(14-21)18-32)36-27-6-4-3-5-24(27)9-12-28(36)33(29,19-34)20-35/h3-12,21-23,28-30H,2,13-18H2,1H3/t21?,22?,23?,28-,29-,30+,32?/m1/s1
SMILES: C[C@H](CSCC1=C(C=CN=C1)SC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)SC2)C(=O)O)N
InChI: InChI=1S/C21H22ClN7O5S4/c1-8(23)5-35-6-9-4-25-3-2-10(9)37-11-7-36-19-14(18(31)29(19)15(11)20(32)33)26-17(30)13(28-34)12-16(22)38-21(24)27-12/h2-4,8,14,19,34H,5-7,23H2,1H3,(H2,24,27)(H,26,30)(H,32,33)/b28-13-/t8-,14-,19-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC45CC6CC(C4)CC(C6)C5)CNC7=C(C(=O)CC[C@]37C)Br
InChI: InChI=1S/C29H41BrN2O2/c1-27-7-5-21-19(15-31-25-24(30)23(33)6-8-28(21,25)2)20(27)3-4-22(27)26(34)32-29-12-16-9-17(13-29)11-18(10-16)14-29/h16-22,31H,3-15H2,1-2H3,(H,32,34)/t16?,17?,18?,19-,20-,21-,22+,27-,28+,29?/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CN3C(=O)C(NC3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C27H33N3O2/c31-25-27(18-21-10-3-1-4-11-21,19-22-12-5-2-6-13-22)28-26(32)30(25)20-29-17-9-15-23-14-7-8-16-24(23)29/h1-6,10-13,23-24H,7-9,14-20H2,(H,28,32)/p+1/t23-,24-/m0/s1
SMILES: C1=C(C=C(C(=C1OC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)F)F)F
InChI: InChI=1S/C16H14F3N5O5/c17-5-1-6(18)9(19)7(2-5)29-16-22-13(20)10-14(23-16)24(4-21-10)15-12(27)11(26)8(3-25)28-15/h1-2,4,8,11-12,15,25-27H,3H2,(H2,20,22,23)/t8-,11-,12-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@]2([C@@H](O2)COCC3=CC=CC=C3)C[C@@H]4[C@H](CCCO4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H42O6SSi/c1-22-14-16-24(17-15-22)36(30,31)29(27(34-29)21-32-20-23-11-8-7-9-12-23)19-26-25(13-10-18-33-26)35-37(5,6)28(2,3)4/h7-9,11-12,14-17,25-27H,10,13,18-21H2,1-6H3/t25-,26+,27-,29+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@]2(C[C@@H]1OC(=O)C)C(C)(C)O)OC(=O)C)OC(=O)CC(C4=CC=CC=C4)N(C)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28?,29-,30-,33-,34+,35-,36-,38+,39-/m0/s1
SMILES: COC1=CC=CC=C1CN[C@@H]2[C@H]3CCC[C@H]3N[C@@H]2C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H32N2O/c1-31-25-18-9-8-15-22(25)19-29-27-23-16-10-17-24(23)30-28(27)26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,18,23-24,26-30H,10,16-17,19H2,1H3/t23-,24+,27+,28+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC)COC(=O)C)OC(=O)C
InChI: InChI=1S/C15H23NO9/c1-7(17)16-12-13(23-9(3)19)11(6-22-8(2)18)25-15(21-5)14(12)24-10(4)20/h11-15H,6H2,1-5H3,(H,16,17)/t11-,12-,13-,14-,15-/m1/s1
SMILES: C=CC[C@@]1([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O)N4C=CC(=O)NC4=O
InChI: InChI=1S/C26H24N2O8/c1-2-14-26(28-15-13-20(29)27-25(28)33)22(30)21(35-24(32)18-11-7-4-8-12-18)19(36-26)16-34-23(31)17-9-5-3-6-10-17/h2-13,15,19,21-22,30H,1,14,16H2,(H,27,29,33)/t19-,21-,22+,26-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=CC(=CC=C6)C(=O)NCCN(C)C)C)C)O)O)O
InChI: InChI=1S/C36H54N2O7/c1-21-29(39)30(40)31(41)33(44-21)45-25-11-14-34(2)24(20-25)9-10-28-27(34)12-15-35(3)26(13-16-36(28,35)43)22-7-6-8-23(19-22)32(42)37-17-18-38(4)5/h6-8,19-21,25-31,33,39-41,43H,9-18H2,1-5H3,(H,37,42)/t21-,25-,26+,27-,28+,29-,30+,31+,33-,34-,35+,36-/m0/s1