EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=NC=N3)Cl)N=C2I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H52ClIN4O4Si3/c1-26(2,3)39(10,11)35-16-18-20(37-40(12,13)27(4,5)6)21(38-41(14,15)28(7,8)9)24(36-18)34-23-19(33-25(34)30)22(29)31-17-32-23/h17-18,20-21,24H,16H2,1-15H3/t18-,20-,21-,24-/m1/s1
SMILES: CC(C)[C@@H]1C[C@@H]2[C@]3(CC[C@@]2(C(=O)[C@@H]1C3)C)C
InChI: InChI=1S/C15H24O/c1-9(2)10-7-12-14(3)5-6-15(12,4)13(16)11(10)8-14/h9-12H,5-8H2,1-4H3/t10-,11+,12+,14-,15-/m0/s1
SMILES: CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C19H34O16/c1-30-17-13(28)10(25)15(6(3-21)32-17)35-19-14(29)11(26)16(7(4-22)33-19)34-18-12(27)9(24)8(23)5(2-20)31-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8+,9+,10-,11-,12-,13+,14-,15-,16-,17-,18+,19+/m1/s1
SMILES: [14CH3][S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Cl-]
InChI: InChI=1S/C15H22N6O5S.ClH/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H/t7-,8+,10+,11+,14+,27?;/m0./s1/i1+2;
SMILES: C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22Cl2N2O3/c1-11(13-7-6-12(20)10-16(13)21)22-17(24)8-9-23-18(25)14-4-2-3-5-15(14)19(23)26/h6-7,10-11,14-15H,2-5,8-9H2,1H3,(H,22,24)/t11-,14+,15+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O
InChI: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23?/m0/s1
SMILES: COC1=C(C=CC(=C1)C#N)OCC(=O)N2CC[C@@H]3CCCC[C@H]3C2
InChI: InChI=1S/C19H24N2O3/c1-23-18-10-14(11-20)6-7-17(18)24-13-19(22)21-9-8-15-4-2-3-5-16(15)12-21/h6-7,10,15-16H,2-5,8-9,12-13H2,1H3/t15-,16-/m0/s1
SMILES: CCCCCCCCCC[C@H]1[C@@H](CC[C@H](O1)[C@H](CC[C@@H]([C@@H]2CCC(O2)OC)OCOC)OCOC)OCOC
InChI: InChI=1S/C30H58O9/c1-6-7-8-9-10-11-12-13-14-27-24(35-21-31-2)17-18-28(38-27)25(36-22-32-3)15-16-26(37-23-33-4)29-19-20-30(34-5)39-29/h24-30H,6-23H2,1-5H3/t24-,25+,26+,27+,28+,29+,30?/m1/s1
SMILES: CSC[C@H](C(=O)NC1CCCCC1)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H28N2O3S/c1-24-11-15(16(21)19-12-7-3-2-4-8-12)20-17(22)13-9-5-6-10-14(13)18(20)23/h12-15H,2-11H2,1H3,(H,19,21)/t13-,14+,15-/m1/s1
SMILES: CC#CCOC1=C(C=CC(=C1)[C@@H]2CN(C[C@@]2(C)[C@@H](C)O)C(=O)OC)OC
InChI: InChI=1S/C20H27NO5/c1-6-7-10-26-18-11-15(8-9-17(18)24-4)16-12-21(19(23)25-5)13-20(16,3)14(2)22/h8-9,11,14,16,22H,10,12-13H2,1-5H3/t14-,16+,20+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CN2C(=O)C3(CCCC3)NC2=O
InChI: InChI=1S/C20H31N3O5/c1-12-7-6-8-15(13(12)2)21-17(25)14(3)28-16(24)11-23-18(26)20(22-19(23)27)9-4-5-10-20/h12-15H,4-11H2,1-3H3,(H,21,25)(H,22,27)/t12-,13+,14+,15+/m0/s1
SMILES: C[C@H]([C@H]1CCC2([C@@H]1CC(=O)OC)OCCO2)OCC3=CC=CC=C3
InChI: InChI=1S/C19H26O5/c1-14(22-13-15-6-4-3-5-7-15)16-8-9-19(23-10-11-24-19)17(16)12-18(20)21-2/h3-7,14,16-17H,8-13H2,1-2H3/t14-,16-,17-/m1/s1
SMILES: CCCC1=CN(N=N1)CCC[C@H]2CC[C@H](NCC2)C(=O)N[C@@H](C3[C@@H]([C@@H]([C@H]([C@H](O3)SC)O)O)O)[C@H](C)Cl
InChI: InChI=1S/C24H42ClN5O5S/c1-4-6-16-13-30(29-28-16)12-5-7-15-8-9-17(26-11-10-15)23(34)27-18(14(2)25)22-20(32)19(31)21(33)24(35-22)36-3/h13-15,17-22,24,26,31-33H,4-12H2,1-3H3,(H,27,34)/t14-,15-,17-,18+,19-,20+,21+,22?,24+/m0/s1
SMILES: CC(C)N(C(C)C)P(OCCCC1=CC=CC=N1)O[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=NC7=C(N=CN=C76)NC(=O)C8=CC=CC=C8
InChI: InChI=1S/C52H58N7O7P/c1-36(2)59(37(3)4)67(64-31-15-21-42-20-13-14-30-53-42)66-45-32-47(58-35-56-48-49(54-34-55-50(48)58)57-51(60)38-16-9-7-10-17-38)65-46(45)33-63-52(39-18-11-8-12-19-39,40-22-26-43(61-5)27-23-40)41-24-28-44(62-6)29-25-41/h7-14,16-20,22-30,34-37,45-47H,15,21,31-33H2,1-6H3,(H,54,55,57,60)/t45-,46+,47+,67?/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CO[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)C
InChI: InChI=1S/C18H25N5O8/c1-18(2)30-12-8(4-27-17-11(26)10(25)7(3-24)29-17)28-16(13(12)31-18)23-6-22-9-14(19)20-5-21-15(9)23/h5-8,10-13,16-17,24-26H,3-4H2,1-2H3,(H2,19,20,21)/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCNC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C18H28N2O5S/c1-13-6-4-5-7-16(13)20-26(22,23)11-10-19-18(21)15-9-8-14(24-2)12-17(15)25-3/h8-9,12-13,16,20H,4-7,10-11H2,1-3H3,(H,19,21)/t13-,16-/m1/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)C34CC5CC(C3)CC(C5)C4
InChI: InChI=1S/C21H32O2/c1-19(2)16-4-5-20(19,3)17(9-16)23-18(22)21-10-13-6-14(11-21)8-15(7-13)12-21/h13-17H,4-12H2,1-3H3/t13?,14?,15?,16-,17+,20+,21?/m0/s1
SMILES: CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N2CCC[C@H]3[C@H]2CCCC3
InChI: InChI=1S/C22H26N2O3/c1-16-8-10-17(11-9-16)13-19(14-23)22(26)27-15-21(25)24-12-4-6-18-5-2-3-7-20(18)24/h8-11,13,18,20H,2-7,12,15H2,1H3/b19-13+/t18-,20+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H]([C@@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)C(=O)[O-])N[C@H]2C5=CC=C(C=C5)F
InChI: InChI=1S/C25H20ClFN2O4S/c26-22-20(34-19-7-2-1-6-18(19)29(32)33)12-17-21(22)15-4-3-5-16(25(30)31)24(15)28-23(17)13-8-10-14(27)11-9-13/h1-11,17,20-23,28H,12H2,(H,30,31)/p-1/t17-,20+,21-,22+,23-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)C4=CC5=C(S4)CCCC5
InChI: InChI=1S/C22H26N2OS/c1-14-7-8-18-16(11-14)17-13-23(2)10-9-19(17)24(18)22(25)21-12-15-5-3-4-6-20(15)26-21/h7-8,11-12,17,19H,3-6,9-10,13H2,1-2H3/p+1/t17-,19-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCN(C)CC3=CC=CC=C3)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC=C
InChI: InChI=1S/C56H57N5O9/c1-6-30-57-51(63)45-48-53(65)70-49(40-24-14-9-15-25-40)47(39-22-12-8-13-23-39)61(48)50(41-26-16-17-27-44(41)69-33-32-62)56(45)42-34-37(21-18-31-59(4)35-38-19-10-7-11-20-38)28-29-43(42)60(54(56)66)55(67)58-46(36(2)3)52(64)68-5/h6-17,19-20,22-29,34,36,45-50,62H,1,30-33,35H2,2-5H3,(H,57,63)(H,58,67)/t45-,46-,47-,48-,49+,50+,56-/m0/s1
SMILES: C[C@@]1(C[C@]2(C(=O)C(=O)[C@@]1(C2(OC)OC)Cl)Cl)C3=CC=CC=C3
InChI: InChI=1S/C16H16Cl2O4/c1-13(10-7-5-4-6-8-10)9-14(17)11(19)12(20)15(13,18)16(14,21-2)22-3/h4-8H,9H2,1-3H3/t13-,14-,15-/m1/s1
SMILES: CC(=O)O[C@@H]1CC(=O)[C@H]2[C@@H]1ON=C2C3=C(C=CC=C3Cl)Cl
InChI: InChI=1S/C14H11Cl2NO4/c1-6(18)20-10-5-9(19)12-13(17-21-14(10)12)11-7(15)3-2-4-8(11)16/h2-4,10,12,14H,5H2,1H3/t10-,12-,14-/m1/s1
SMILES: C/C(=C\C1=COC(=N1)C2=CC=CC=C2)/[C@@H]3C=C[C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H47NO4Si2/c1-22(19-24-20-32-28(31-24)23-15-13-12-14-16-23)25-17-18-26(35-37(10,11)30(5,6)7)27(34-25)21-33-36(8,9)29(2,3)4/h12-20,25-27H,21H2,1-11H3/b22-19+/t25-,26-,27+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CCC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H31NO5/c1-14-7-5-6-8-17(14)22-21(24)15(2)27-20(23)12-10-16-9-11-18(25-3)19(13-16)26-4/h9,11,13-15,17H,5-8,10,12H2,1-4H3,(H,22,24)/t14-,15+,17-/m0/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C37H37N3O5S/c1-3-38-36(42)39-30-20-18-29(19-21-30)35-43-31(24(2)33(44-35)28-16-14-25(22-41)15-17-28)23-46-37-40-32(26-10-6-4-7-11-26)34(45-37)27-12-8-5-9-13-27/h4-21,24,31,33,35,41H,3,22-23H2,1-2H3,(H2,38,39,42)/t24-,31+,33+,35+/m0/s1
SMILES: COC(=O)/C=C(/C(=O)OC)\S[C@@H]1[C@@H](C(=O)N1)NC(=O)COC2=CC=CC=C2
InChI: InChI=1S/C17H18N2O7S/c1-24-13(21)8-11(17(23)25-2)27-16-14(15(22)19-16)18-12(20)9-26-10-6-4-3-5-7-10/h3-8,14,16H,9H2,1-2H3,(H,18,20)(H,19,22)/b11-8-/t14-,16-/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@@H](/C=C/C=C/C(=O)OC)O)CO)C
InChI: InChI=1S/C13H20O6/c1-13(2)18-10(8-14)12(19-13)9(15)6-4-5-7-11(16)17-3/h4-7,9-10,12,14-15H,8H2,1-3H3/b6-4+,7-5+/t9-,10-,12+/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CC[NH+]2CC(=O)N4CCOCC4)O
InChI: InChI=1S/C22H32N2O4/c1-27-19-8-3-2-6-17(19)21-18-7-4-5-9-22(18,26)10-11-24(21)16-20(25)23-12-14-28-15-13-23/h2-3,6,8,18,21,26H,4-5,7,9-16H2,1H3/p+1/t18-,21-,22-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](C(CCO2)CN3CCC4(CC3)CCOC4)C5=CC=CC=C5
InChI: InChI=1S/C30H35F6NO3/c1-20(23-15-24(29(31,32)33)17-25(16-23)30(34,35)36)40-27-26(21-5-3-2-4-6-21)22(7-13-39-27)18-37-11-8-28(9-12-37)10-14-38-19-28/h2-6,15-17,20,22,26-27H,7-14,18-19H2,1H3/t20-,22?,26-,27-/m1/s1
SMILES: CC(C)C1=CC(=CS1)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H]([C@@H]3C2=O)C4=C(C)C
InChI: InChI=1S/C20H24N2O3S/c1-9(2)14-7-11(8-26-14)18(23)21-22-19(24)16-12-5-6-13(15(12)10(3)4)17(16)20(22)25/h7-9,12-13,16-17H,5-6H2,1-4H3,(H,21,23)/t12-,13+,16-,17-/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)C3=C(C4=CC=CC=C4O3)C
InChI: InChI=1S/C19H18N2O3/c1-11-9-15(11)17-8-7-13(23-17)10-20-21-19(22)18-12(2)14-5-3-4-6-16(14)24-18/h3-8,10-11,15H,9H2,1-2H3,(H,21,22)/b20-10-/t11-,15-/m0/s1
SMILES: CC(=O)O[C@@]1([C@H]2[C@@H]([C@H](O1)COCC3=CC=CC=C3)OC(O2)(C)C)C4=NC=CS4
InChI: InChI=1S/C20H23NO6S/c1-13(22)24-20(18-21-9-10-28-18)17-16(26-19(2,3)27-17)15(25-20)12-23-11-14-7-5-4-6-8-14/h4-10,15-17H,11-12H2,1-3H3/t15-,16-,17-,20-/m1/s1
SMILES: CCOC1=NC2=C(C=CC=C2Cl)C(=C1)O[C@@H]3C[C@@H](N(C3)C(=O)[C@@H](CC(=O)NC4=CC=CC=C4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6CC6
InChI: InChI=1S/C39H46ClN5O8S/c1-6-23-21-39(23,37(49)44-54(50,51)26-16-17-26)43-35(47)30-18-25(53-31-20-33(52-7-2)42-34-27(31)14-11-15-29(34)40)22-45(30)36(48)28(38(3,4)5)19-32(46)41-24-12-9-8-10-13-24/h6,8-15,20,23,25-26,28,30H,1,7,16-19,21-22H2,2-5H3,(H,41,46)(H,43,47)(H,44,49)/t23-,25-,28-,30-,39-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C22H28N2O/c1-17-7-2-5-12-21(17)23-13-15-24(16-14-23)22(25)20-11-6-9-18-8-3-4-10-19(18)20/h3-4,6,8-11,17,21H,2,5,7,12-16H2,1H3/p+1/t17-,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC=C(C4)C(C)(C)C(=O)[O-])C
InChI: InChI=1S/C23H36O3/c1-21(2,20(25)26)14-9-11-22(3)15(13-14)5-6-16-17-7-8-19(24)23(17,4)12-10-18(16)22/h9,15-19,24H,5-8,10-13H2,1-4H3,(H,25,26)/p-1/t15-,16-,17-,18-,19-,22-,23-/m0/s1
SMILES: CN(/C=C\C1=CC=CC=C1)C(=O)[C@@H]2[C@H](O2)C3=CC=CC=C3
InChI: InChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/b13-12-/t16-,17+/m1/s1
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
SMILES: C[C@@H]1CCC2[C@@](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)(C)C(=O)SC5=CC=CC=C5
InChI: InChI=1S/C21H26O5S/c1-13-9-10-16-20(3,17(22)27-14-7-5-4-6-8-14)24-18-21(16)15(13)11-12-19(2,23-18)25-26-21/h4-8,13,15-16,18H,9-12H2,1-3H3/t13-,15+,16?,18+,19-,20+,21-/m1/s1
SMILES: C1CC1N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C8=CSC(=N8)N)SC3)C(=O)O)/C2=O
InChI: InChI=1S/C39H34N6O6S2/c40-38-41-29(22-53-38)30(43-51-39(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27)33(46)42-31-35(48)45-32(37(49)50)24(21-52-36(31)45)20-23-18-19-44(34(23)47)28-16-17-28/h1-15,20,22,28,31,36H,16-19,21H2,(H2,40,41)(H,42,46)(H,49,50)/b23-20+,43-30-/t31-,36-/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C(=O)OC)Br
InChI: InChI=1S/C25H19Br2NO8/c1-35-17-6-9(26)5-13(22(17)31)18-10-3-4-11-19(24(33)28(23(11)32)25(34)36-2)12(10)7-14-20(18)16(29)8-15(27)21(14)30/h3,5-6,8,11-12,18-19,31H,4,7H2,1-2H3/t11-,12+,18+,19-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@@H]([C@H](CO2)C(=O)OC)C(=O)OC)OC
InChI: InChI=1S/C16H20O7/c1-19-11-6-5-9(7-12(11)20-2)14-13(16(18)22-4)10(8-23-14)15(17)21-3/h5-7,10,13-14H,8H2,1-4H3/t10-,13+,14+/m0/s1
SMILES: CCOC1=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)C6=CC=CC=C6)C)C(=O)N(C4=O)C7CCCCC7
InChI: InChI=1S/C35H38N2O6/c1-3-43-27-16-10-15-24(30(27)38)29-22-17-18-23-28(33(41)36(31(23)39)20-11-6-4-7-12-20)25(22)19-26-32(40)37(34(42)35(26,29)2)21-13-8-5-9-14-21/h5,8-10,13-17,20,23,25-26,28-29,38H,3-4,6-7,11-12,18-19H2,1-2H3/t23-,25+,26-,28-,29+,35+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C18H22F3NO4/c1-11-5-3-4-6-15(11)22-16(23)12(2)25-17(24)13-7-9-14(10-8-13)26-18(19,20)21/h7-12,15H,3-6H2,1-2H3,(H,22,23)/t11-,12+,15-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(=O)O)C
InChI: InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1
SMILES: CCCC[Sn]CCCC.C1C[C@H]([C@@]2([C@@]3([C@@H](CCCO3)O)OCCO2)OC1)O
InChI: InChI=1S/C12H20O6.2C4H9.Sn/c13-9-3-1-5-15-11(9)12(18-8-7-17-11)10(14)4-2-6-16-12;2*1-3-4-2;/h9-10,13-14H,1-8H2;2*1,3-4H2,2H3;/t9-,10-,11-,12-;;;/m1.../s1
SMILES: COC1=CC=C(C=C1)N[C@H]2[C@H]([C@@H]([C@@H](O2)[C@@H](CO)O)O)O
InChI: InChI=1S/C13H19NO6/c1-19-8-4-2-7(3-5-8)14-13-11(18)10(17)12(20-13)9(16)6-15/h2-5,9-18H,6H2,1H3/t9-,10+,11+,12+,13-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)NC1=O)C(=O)[C@@H](C(C)C)NC(=O)C[C@H](C2=CC=CC=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C30H35N3O7/c1-17(2)27(28(36)26-18(3)29(37)33-30(26)38)32-25(35)16-21(20-9-7-6-8-10-20)31-24(34)14-12-19-11-13-22(39-4)23(15-19)40-5/h6-15,17-18,21,26-27H,16H2,1-5H3,(H,31,34)(H,32,35)(H,33,37,38)/b14-12+/t18-,21+,26+,27+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)NC=O)CS[C@@H]5C[C@H](C=C5)ONC(=O)OC(C)(C)C)C
InChI: InChI=1S/C24H32N6O7S/c1-23(2,3)36-22(32)29-37-13-6-7-14(8-13)38-9-15-17-18(35-24(4,5)34-17)21(33-15)30-11-27-16-19(28-12-31)25-10-26-20(16)30/h6-7,10-15,17-18,21H,8-9H2,1-5H3,(H,29,32)(H,25,26,28,31)/t13-,14-,15+,17+,18+,21+/m0/s1
SMILES: C[C@H]1C[C@@]2(C[C@@]3([C@@H]4C(C=C[C@H]([C@]4([C@@H]([C@H]2[C@H]1OC(=O)C5=CC=CC=C5)OC(=O)C)COC(=O)C)OC(=O)C)C(O3)(C)C)C)O
InChI: InChI=1S/C33H42O10/c1-18-15-32(38)16-31(7)27-23(30(5,6)43-31)13-14-24(40-20(3)35)33(27,17-39-19(2)34)28(41-21(4)36)25(32)26(18)42-29(37)22-11-9-8-10-12-22/h8-14,18,23-28,38H,15-17H2,1-7H3/t18-,23?,24+,25+,26-,27-,28+,31+,32-,33+/m0/s1
SMILES: CCOC1=N[C@]2([C@H](C[C@]2(C1=O)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H23NO4/c1-3-27-20-19(25)22(21(26)28-4-2)15-18(16-11-7-5-8-12-16)23(22,24-20)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3/t18-,22+,23+/m1/s1
SMILES: C1CC[C@]2(CCN([C@@H]([C@@H]2C1)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)F)O
InChI: InChI=1S/C22H23F2NO2/c23-17-9-7-15(8-10-17)20-19-6-1-2-11-22(19,27)12-13-25(20)21(26)16-4-3-5-18(24)14-16/h3-5,7-10,14,19-20,27H,1-2,6,11-13H2/t19-,20+,22+/m0/s1
SMILES: CCOC(=O)/C=C/C(=C)[C@@H]1[C@H](C(=O)N1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H31NO4Si/c1-9-22-14(20)11-10-12(2)16-15(17(21)19-16)13(3)23-24(7,8)18(4,5)6/h10-11,13,15-16H,2,9H2,1,3-8H3,(H,19,21)/b11-10+/t13-,15-,16-/m1/s1
SMILES: CCOC(=O)C1=NO[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H11ClN2O5/c1-2-21-14(20)10-9-11(22-16-10)13(19)17(12(9)18)8-5-3-7(15)4-6-8/h3-6,9,11H,2H2,1H3/t9-,11-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)CN(C)C
InChI: InChI=1S/C22H35NO2/c1-21-9-7-15(24)12-19(21)14(13-23(3)4)11-16-17-5-6-20(25)22(17,2)10-8-18(16)21/h12,14,16-18,20,25H,5-11,13H2,1-4H3/t14-,16-,17-,18-,20-,21+,22-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NCC4=CN=CC=C4)C(=O)O
InChI: InChI=1S/C21H21N3O4/c25-19-15-5-1-2-6-16(15)20(26)24(19)14-7-8-18(17(10-14)21(27)28)23-12-13-4-3-9-22-11-13/h3-4,7-11,15-16,23H,1-2,5-6,12H2,(H,27,28)/t15-,16-/m1/s1
SMILES: CC[C@H]1C(=O)N2[C@@H](C[C@]3([C@@H]2NC4=CC=CC=C43)[C@]56C[C@H]7C(=O)N[C@H](C(=O)N7[C@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)C(=O)N1
InChI: InChI=1S/C35H34N6O4/c1-2-22-30(44)40-26(28(42)36-22)17-34(20-12-6-8-14-23(20)38-32(34)40)35-18-27-29(43)37-25(16-19-10-4-3-5-11-19)31(45)41(27)33(35)39-24-15-9-7-13-21(24)35/h3-15,22,25-27,32-33,38-39H,2,16-18H2,1H3,(H,36,42)(H,37,43)/t22-,25-,26-,27-,32+,33+,34-,35-/m0/s1
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O7/c1-12(19(25)22-13-8-9-16(28-2)17(10-13)29-3)30-18(24)11-23-20(26)14-6-4-5-7-15(14)21(23)27/h4-5,8-10,12,14-15H,6-7,11H2,1-3H3,(H,22,25)/t12-,14+,15+/m1/s1
SMILES: C[C@@]1([C@@H](C=C[C@@H]([C@@H]1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C21H20O4/c1-21(20(24)25)17(15-10-6-3-7-11-15)13-12-16(18(21)19(22)23)14-8-4-2-5-9-14/h2-13,16-18H,1H3,(H,22,23)(H,24,25)/t16-,17+,18-,21+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CN(C)C[C@H](C6=CC(=CC=C6)O)O
InChI: InChI=1S/C41H43N3O6/c1-27-38(25-44(2)24-37(47)33-10-5-13-36(46)21-33)49-41(50-39(27)30-16-14-28(26-45)15-17-30)34-11-4-9-32(20-34)31-8-3-7-29(19-31)22-43-40(48)35-12-6-18-42-23-35/h3-21,23,27,37-39,41,45-47H,22,24-26H2,1-2H3,(H,43,48)/t27-,37+,38+,39+,41+/m0/s1
SMILES: C1CN(CCC1C2=CC=CC=C2)[C@@H]3CC4=C(C[C@H]3O)C(=CC=C4)I
InChI: InChI=1S/C21H24INO/c22-19-8-4-7-17-13-20(21(24)14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H19N3O5/c1-10-2-5-13(9-14(10)22(26)27)20-15(23)6-7-21-18(24)16-11-3-4-12(8-11)17(16)19(21)25/h2-5,9,11-12,16-17H,6-8H2,1H3,(H,20,23)/t11-,12+,16-,17-/m0/s1
SMILES: C[C@@H]1[C@@H](CC[C@H](N1)/C(=C(/O)\OC)/[N+]#N)OC(=O)C
InChI: InChI=1S/C11H17N3O4/c1-6-9(18-7(2)15)5-4-8(13-6)10(14-12)11(16)17-3/h6,8-9,13H,4-5H2,1-3H3/p+1/b11-10+/t6-,8+,9-/m1/s1
SMILES: CSC1=NC2=C(C(=N1)Cl)N=CN2[C@H]3C[C@@H]([C@@]4([C@@H]3C4)COP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)OP(=O)(OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C41H41ClN4O8P2S/c1-57-40-44-38(42)37-39(45-40)46(29-43-37)35-22-36(54-56(48,51-26-32-18-10-4-11-19-32)52-27-33-20-12-5-13-21-33)41(23-34(35)41)28-53-55(47,49-24-30-14-6-2-7-15-30)50-25-31-16-8-3-9-17-31/h2-21,29,34-36H,22-28H2,1H3/t34-,35+,36+,41-/m1/s1
SMILES: CC1[C@H]2CCCC[C@]2([NH+]([C@@]3([C@H]1CCCC3)C#N)CC4=CC=CC=C4C(F)(F)F)C#N
InChI: InChI=1S/C24H28F3N3/c1-17-19-9-4-6-12-22(19,15-28)30(23(16-29)13-7-5-10-20(17)23)14-18-8-2-3-11-21(18)24(25,26)27/h2-3,8,11,17,19-20H,4-7,9-10,12-14H2,1H3/p+1/t17?,19-,20+,22+,23-
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CCCCO)OCC3=CC=CC=C3)C
InChI: InChI=1S/C18H26O5/c1-18(2)22-16-15(20-12-13-8-4-3-5-9-13)14(10-6-7-11-19)21-17(16)23-18/h3-5,8-9,14-17,19H,6-7,10-12H2,1-2H3/t14-,15+,16-,17-/m1/s1
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)N3[C@H]([C@H](C3=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C
InChI: InChI=1S/C27H29NO4/c1-18(21-16-10-14-20-13-8-9-15-22(20)21)28-23(26(30)32-27(2,3)4)24(25(28)29)31-17-19-11-6-5-7-12-19/h5-16,18,23-24H,17H2,1-4H3/t18-,23+,24+/m0/s1
SMILES: CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C.CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
InChI: InChI=1S/C25H34O6.C19H24N2O4/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26;1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3;3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t16-,17-,18-,20+,21?,22+,23-,24-,25+;/m0./s1
SMILES: CC(=CC[C@@H]1[C@]([C@]2([C@@H](C(=O)CC[C@@]2(CO1)O)OC)O)(C)O)C
InChI: InChI=1S/C16H26O6/c1-10(2)5-6-12-14(3,18)16(20)13(21-4)11(17)7-8-15(16,19)9-22-12/h5,12-13,18-20H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C(=C(C=C3)Br)C)C
InChI: InChI=1S/C17H20BrNO2/c1-9-4-5-12-13(8-9)17(21)19(16(12)20)15-7-6-14(18)10(2)11(15)3/h6-7,9,12-13H,4-5,8H2,1-3H3/t9-,12+,13+/m0/s1
SMILES: COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C20H19NO5S/c1-26-20(25)16-15(12-7-3-2-4-8-12)11-27-18(16)21-17(22)13-9-5-6-10-14(13)19(23)24/h2-8,11,13-14H,9-10H2,1H3,(H,21,22)(H,23,24)/p-1/t13-,14+/m0/s1
SMILES: C[C@H]1[C@@H](NN([C@@H]1C(=O)N2[C@H]3C[C@@H]4CC[C@]3(C4(C)C)CS2(=O)=O)C(=O)C)CC(=O)OC
InChI: InChI=1S/C20H31N3O6S/c1-11-14(9-16(25)29-5)21-22(12(2)24)17(11)18(26)23-15-8-13-6-7-20(15,19(13,3)4)10-30(23,27)28/h11,13-15,17,21H,6-10H2,1-5H3/t11-,13-,14-,15-,17-,20-/m0/s1
SMILES: CO[C@@H]1[C@@H]2[C@H]([C@@H]([C@H](O1)COCCCCCCCCOC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)O2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O
InChI: InChI=1S/C49H62O11/c1-51-48-45-42(50)43(54-30-36-20-10-6-11-21-36)40(58-48)34-52-28-18-4-2-3-5-19-29-53-35-41-44(55-31-37-22-12-7-13-23-37)46(56-32-38-24-14-8-15-25-38)47(49(59-41)60-45)57-33-39-26-16-9-17-27-39/h6-17,20-27,40-50H,2-5,18-19,28-35H2,1H3/t40-,41-,42+,43-,44+,45+,46+,47-,48+,49-/m1/s1
SMILES: CCN(CC)C(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2C=CC3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C23H24Cl2N2O/c1-3-27(4-2)23(28)14-8-11-21-19(12-14)16-6-5-7-17(16)22(26-21)18-10-9-15(24)13-20(18)25/h5-6,8-13,16-17,22,26H,3-4,7H2,1-2H3/t16-,17-,22+/m0/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(CCC(C4)OC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27?,28-,29-,30+,31+,33-,34-/m1/s1
SMILES: CCN1C(=CC(=N1)CC2=CN=CC=C2)C3CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC(=CC=C5)F)[C@H](C(C)C)C(=O)O
InChI: InChI=1S/C32H42FN5O2/c1-4-38-30(17-28(35-38)15-23-7-6-12-34-18-23)24-10-13-36(14-11-24)19-26-20-37(31(22(2)3)32(39)40)21-29(26)25-8-5-9-27(33)16-25/h5-9,12,16-18,22,24,26,29,31H,4,10-11,13-15,19-21H2,1-3H3,(H,39,40)/t26-,29+,31+/m0/s1
SMILES: CC(C)[C@H]1C[C@H]2[C@@]3(CC[C@]2([C@H]([C@H]1C3)O)C)C
InChI: InChI=1S/C15H26O/c1-9(2)10-7-12-14(3)5-6-15(12,4)13(16)11(10)8-14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m1/s1
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)/N=C\C5=CC=C(O5)C6=C(C=C(C=C6)Br)[N+](=O)[O-]
InChI: InChI=1S/C22H16BrN3O5/c23-10-1-3-14(17(7-10)26(29)30)18-6-2-11(31-18)9-24-25-21(27)19-12-4-5-13(16-8-15(12)16)20(19)22(25)28/h1-7,9,12-13,15-16,19-20H,8H2/b24-9-/t12-,13+,15+,16-,19+,20-
SMILES: CC(=O)O[C@H]1CC(=O)N([C@@H]1C#C[Si](C)(C)C)CC(S(=O)(=O)C2=CC=CC=C2)Cl
InChI: InChI=1S/C19H24ClNO5SSi/c1-14(22)26-17-12-19(23)21(16(17)10-11-28(2,3)4)13-18(20)27(24,25)15-8-6-5-7-9-15/h5-9,16-18H,12-13H2,1-4H3/t16-,17+,18?/m1/s1
SMILES: C[C@H]1COCC2(C(O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C#N
InChI: InChI=1S/C26H36N2O7S/c1-14(7-18-11-36-17(4)28-18)19-8-21-26(12-27,35-21)13-33-10-15(2)23(31)16(3)24(32)25(5,6)20(29)9-22(30)34-19/h7,11,15-16,19-21,23,29,31H,8-10,13H2,1-6H3/b14-7+/t15-,16+,19-,20-,21?,23-,26?/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@]3(CC[C@H](C([C@@H]3CC[C@]2([C@]4([C@H]1C(CCC4)[C@@]5(CC[C@@H](O5)C(C)(C)O)C)C)C)(C)C)OC(=O)CC(=O)O)C
InChI: InChI=1S/C36H58O8/c1-21(37)42-23-19-25-33(6)16-13-26(43-29(40)20-28(38)39)31(2,3)24(33)12-17-34(25,7)35(8)15-10-11-22(30(23)35)36(9)18-14-27(44-36)32(4,5)41/h22-27,30,41H,10-20H2,1-9H3,(H,38,39)/t22?,23-,24+,25-,26-,27-,30+,33+,34-,35-,36+/m1/s1
SMILES: CC(C)OC(=O)CCCCCC[C@@H]1[C@H](OCC1=O)/C=C/[C@H](COC2=CC=CC=C2)O
InChI: InChI=1S/C24H34O6/c1-18(2)30-24(27)13-9-4-3-8-12-21-22(26)17-29-23(21)15-14-19(25)16-28-20-10-6-5-7-11-20/h5-7,10-11,14-15,18-19,21,23,25H,3-4,8-9,12-13,16-17H2,1-2H3/b15-14+/t19-,21+,23-/m1/s1
SMILES: C[C@H]1[C@@H](CC2=CC(=C(C=C2[C@@H]1C3=CC(=C(C=C3)OC)OC)OC)OC)CO
InChI: InChI=1S/C22H28O5/c1-13-16(12-23)8-15-10-20(26-4)21(27-5)11-17(15)22(13)14-6-7-18(24-2)19(9-14)25-3/h6-7,9-11,13,16,22-23H,8,12H2,1-5H3/t13-,16-,22-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H32O5/c1-21-25(30-18-22-12-6-3-7-13-22)26(31-19-23-14-8-4-9-15-23)27(28(29-2)33-21)32-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25+,26+,27-,28-/m0/s1
SMILES: CN(C)CCC1=NC(=NO1)COC2=CC3=C(C=C2)[C@@]4(CC[C@@](C[C@H]4CC3)(C(F)(F)F)O)CC5=CC=CC=C5
InChI: InChI=1S/C29H34F3N3O3/c1-35(2)15-12-26-33-25(34-38-26)19-37-23-10-11-24-21(16-23)8-9-22-18-28(36,29(30,31)32)14-13-27(22,24)17-20-6-4-3-5-7-20/h3-7,10-11,16,22,36H,8-9,12-15,17-19H2,1-2H3/t22-,27+,28-/m1/s1
SMILES: C1C[C@@H]2[C@H](N(N=C2/C(=C/C3=CC=C(C=C3)Br)/C1)C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Br
InChI: InChI=1S/C24H22Br2N2O3/c25-18-8-4-15(5-9-18)14-17-2-1-3-20-23(17)27-28(21(29)12-13-22(30)31)24(20)16-6-10-19(26)11-7-16/h4-11,14,20,24H,1-3,12-13H2,(H,30,31)/p-1/b17-14+/t20-,24+/m0/s1