EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](CCC(=O)OCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
InChI: InChI=1S/C32H54O10/c1-17(4-7-25(36)40-12-13-41-30-29(39)28(38)27(37)24(16-33)42-30)20-5-6-21-26-22(9-11-32(20,21)3)31(2)10-8-19(34)14-18(31)15-23(26)35/h17-24,26-30,33-35,37-39H,4-16H2,1-3H3/t17-,18-,19+,20+,21-,22-,23-,24+,26-,27+,28-,29+,30?,31-,32+/m0/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)CC4=CC=CC=C4)C#N
InChI: InChI=1S/C17H16N4O2/c1-11-8-22-17(23-11)16(10-19)13(7-12-5-3-2-4-6-12)15(16,9-18)14(20)21-17/h2-6,11,13H,7-8H2,1H3,(H2,20,21)/p+1/t11-,13-,15-,16-,17-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CCC7=CC=CS7)C)C(=C3)C(=O)C8=CC(=CC=C8)C(F)(F)F)O
InChI: InChI=1S/C37H40F3NO4S/c1-32-12-8-25(42)20-34(32)15-16-36(27(21-34)30(43)23-5-3-6-24(19-23)37(38,39)40)28(32)9-13-33(2)29(36)10-14-35(33)22-41(31(44)45-35)17-11-26-7-4-18-46-26/h3-7,15-16,18-19,21,25,28-29,42H,8-14,17,20,22H2,1-2H3/t25-,28+,29+,32+,33-,34-,35+,36-/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)COS(=O)(=O)C
InChI: InChI=1S/C20H22O3S2/c1-15-19(14-23-25(2,21)22)18(16-9-5-3-6-10-16)13-20(24-15)17-11-7-4-8-12-17/h3-13,15,18-19H,14H2,1-2H3/t15-,18-,19-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](C[Si](C)(C)C3=CC=CC=C3)O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C24H32O5Si/c1-24(2)28-22-21(26-15-17-11-7-5-8-12-17)20(27-23(22)29-24)19(25)16-30(3,4)18-13-9-6-10-14-18/h5-14,19-23,25H,15-16H2,1-4H3/t19-,20+,21-,22+,23+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](O2)[Se]C3=CC=CC=C3)O)F
InChI: InChI=1S/C18H19FO3Se/c19-16-15(12-21-11-13-7-3-1-4-8-13)22-18(17(16)20)23-14-9-5-2-6-10-14/h1-10,15-18,20H,11-12H2/t15-,16-,17+,18-/m1/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C(=O)[C@H]2[C@@H](N2C(=O)C)C)C3=CC=CC=C3
InChI: InChI=1S/C17H21N3O3/c1-10-14(13-8-6-5-7-9-13)20(17(23)18(10)4)16(22)15-11(2)19(15)12(3)21/h5-11,14-15H,1-4H3/t10-,11-,14-,15+,19?/m0/s1
SMILES: CCCCCCCCCC(=O)OCCCC1/C(=C(/C)\C=O)/CC[C@]([C@@]1(C)CC/C=C(\C)/[C@@H](C/C=C(\C)/CCC=C(C)C)OC(=O)C)(C)O
InChI: InChI=1S/C42H70O6/c1-10-11-12-13-14-15-16-24-40(45)47-30-19-23-38-37(35(6)31-43)27-29-42(9,46)41(38,8)28-18-22-34(5)39(48-36(7)44)26-25-33(4)21-17-20-32(2)3/h20,22,25,31,38-39,46H,10-19,21,23-24,26-30H2,1-9H3/b33-25+,34-22+,37-35-/t38?,39-,41+,42+/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17-,18-,19-,20-,22+,23+,24-/m1/s1
SMILES: C[C@@H]1[C@H](N(CCC1=O)CC(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C22H22N2O2/c1-15-20(25)11-12-24(22(15)16-7-3-2-4-8-16)14-21(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,22-23H,11-12,14H2,1H3/t15-,22-/m0/s1
SMILES: C[C@H]1C=C[C@H](O[C@H]1C(=O)O[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C=C[C@@H]([C@@H](O2)C(=O)O[C@H](CNC(=O)OC(C)(C)C)[C@@H]3C=C[C@@H]([C@@H](O3)C(=O)OC)C)C)[C@@H](CNC(=O)OC(C)(C)C)O
InChI: InChI=1S/C43H67N3O16/c1-23-15-18-28(56-32(23)35(48)54-13)30(21-45-39(52)61-42(7,8)9)59-37(50)34-25(3)16-19-29(57-34)31(22-46-40(53)62-43(10,11)12)58-36(49)33-24(2)14-17-27(55-33)26(47)20-44-38(51)60-41(4,5)6/h14-19,23-34,47H,20-22H2,1-13H3,(H,44,51)(H,45,52)(H,46,53)/t23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33+,34+/m0/s1
SMILES: C[C@H]1CN2CCC[C@@H]3[C@@H]2[C@@H](C1=O)CCCCC[C@@H]4CCCN5[C@@H]4[C@H](CCCCC3)C(=O)[C@H](C5)C
InChI: InChI=1S/C30H50N2O2/c1-21-19-31-17-9-13-23-11-6-4-8-16-26-28-24(14-10-18-32(28)20-22(2)30(26)34)12-5-3-7-15-25(27(23)31)29(21)33/h21-28H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-,27-,28+/m0/s1
SMILES: C1C[C@@H]2[C@@H](C[C@@H]3C4=CC=CC=C4C[C@H](N3C2=O)CO)C=C1
InChI: InChI=1S/C18H21NO2/c20-11-14-9-12-5-1-3-7-15(12)17-10-13-6-2-4-8-16(13)18(21)19(14)17/h1-3,5-7,13-14,16-17,20H,4,8-11H2/t13-,14+,16-,17-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)OC
InChI: InChI=1S/C25H22N2O4/c1-16-8-6-12-19(14-16)26-24(28)21-22(17-9-7-13-20(15-17)30-2)27(31-23(21)25(26)29)18-10-4-3-5-11-18/h3-15,21-23H,1-2H3/t21-,22+,23+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@H](CO[C@H]([C@@H]1O[Si](CC)(CC)CC)CO)C[C@H]2[C@@H](O2)[C@@H](C)[C@H](C)O[Si](CC)(CC)CC
InChI: InChI=1S/C31H66O6Si3/c1-12-38(13-2,14-3)35-25(11)24(10)29-27(34-29)21-26-23-33-28(22-32)31(37-40(18-7,19-8)20-9)30(26)36-39(15-4,16-5)17-6/h24-32H,12-23H2,1-11H3/t24-,25-,26-,27-,28-,29-,30+,31-/m0/s1
SMILES: CC[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3OC)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C19H24N2O5/c1-5-19(18(24)26-4)14-13(16(22)21(6-2)17(14)23)15(20-19)11-9-7-8-10-12(11)25-3/h7-10,13-15,20H,5-6H2,1-4H3/p+1/t13-,14-,15-,19-/m0/s1
SMILES: CCCC[Sn]CCCC.CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C14H18O6.2C4H9.Sn/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8;2*1-3-4-2;/h2-6,9-16H,7H2,1H3;2*1,3-4H2,2H3;/t9-,10-,11-,12-,13-,14+;;;/m1.../s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)OCOC)C)C)[C@@H](CCC(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H60O3Si/c1-24(2)12-17-32(38-39(10,11)33(4,5)6)25(3)29-15-16-30-28-14-13-26-22-27(37-23-36-9)18-20-34(26,7)31(28)19-21-35(29,30)8/h13-14,19,24-25,27,29-30,32H,12,15-18,20-23H2,1-11H3/t25-,27-,29+,30-,32+,34-,35+/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1OC(=O)C)C)C=CC(=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C29H32O6/c1-17(30)33-26-16-25-24-11-9-20-15-21(35-28(32)19-7-5-4-6-8-19)10-12-22(20)23(24)13-14-29(25,3)27(26)34-18(2)31/h4-8,10,12,15,23-27H,9,11,13-14,16H2,1-3H3/t23-,24-,25+,26-,27+,29+/m1/s1
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)N/N=C/2\C[C@@H]3[C@H]2CC=C3
InChI: InChI=1S/C16H17ClN2O2/c1-10-7-12(17)5-6-15(10)21-9-16(20)19-18-14-8-11-3-2-4-13(11)14/h2-3,5-7,11,13H,4,8-9H2,1H3,(H,19,20)/b18-14+/t11-,13-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](CC12OCCO2)/C(=C/[N+]#N)/O)COCC3=CC=CC=C3
InChI: InChI=1S/C18H22N2O4/c1-13-16(12-22-11-14-5-3-2-4-6-14)15(17(21)10-20-19)9-18(13)23-7-8-24-18/h2-6,10,13,15-16H,7-9,11-12H2,1H3/p+1/b17-10-/t13-,15-,16-/m1/s1
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@H]2C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)C)O)O
InChI: InChI=1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3/t13-,16+,18-,20-,23-/m1/s1
SMILES: CC1=C/C(=C/C(C(C)OC(=O)C)OC(=O)C(C)C)/[C@]23C1=NCC[C@H]2O3
InChI: InChI=1S/C19H25NO5/c1-10(2)18(22)24-15(12(4)23-13(5)21)9-14-8-11(3)17-19(14)16(25-19)6-7-20-17/h8-10,12,15-16H,6-7H2,1-5H3/b14-9-/t12?,15?,16-,19-/m1/s1
SMILES: C1CC2CCC1[C@H]([C@@H]2C(=O)O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H25FN2O3/c21-15-5-7-16(8-6-15)22-9-11-23(12-10-22)19(24)17-13-1-3-14(4-2-13)18(17)20(25)26/h5-8,13-14,17-18H,1-4,9-12H2,(H,25,26)/t13?,14?,17-,18-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)CNCC2=CC=CC=C2)CNCC3=CC=CC=C3)C
InChI: InChI=1S/C21H28N2O2/c1-21(2)24-19(15-22-13-17-9-5-3-6-10-17)20(25-21)16-23-14-18-11-7-4-8-12-18/h3-12,19-20,22-23H,13-16H2,1-2H3/t19-,20-/m0/s1
SMILES: CC(C)[C@@H]1CC[C@@]2([C@H]3[C@@H]1[C@@H](C2=C)CN(C3)CCO)C
InChI: InChI=1S/C17H29NO/c1-11(2)13-5-6-17(4)12(3)14-9-18(7-8-19)10-15(17)16(13)14/h11,13-16,19H,3,5-10H2,1-2,4H3/t13-,14+,15+,16-,17-/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)OCCCl)OCC=C)C=O
InChI: InChI=1S/C53H58ClN3O14/c1-3-23-68-53-49(56(52(61)65-24-20-54)30-35-12-17-47-48(25-35)67-33-66-47)29-44(55-69-32-34-10-13-38(14-11-34)57(62)63)42-27-36(8-4-6-21-58)41(9-5-7-22-59)50(51(42)53)43-28-40(16-19-46(43)71-53)70-39-15-18-45(64-2)37(26-39)31-60/h3,10-19,25-28,31,36,41,49-51,58-59H,1,4-9,20-24,29-30,32-33H2,2H3/t36-,41+,49-,50+,51+,53+/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](C(=C(C2(C#N)C#N)N)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H21N5O3/c1-3-30-21(28)27-9-8-18-17(11-27)19(14-4-6-15(29-2)7-5-14)16(10-23)20(26)22(18,12-24)13-25/h4-8,17,19H,3,9,11,26H2,1-2H3/t17-,19-/m1/s1
SMILES: C=CCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=C(C=C8)C9=CC=CC=C9)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C62H66N2O8/c1-3-5-38-68-61(67)64(42-49-26-18-25-47-23-12-13-27-52(47)49)58-41-56(63-70-43-44-19-8-6-9-20-44)54-39-48(24-14-16-35-65)53(28-15-17-36-66)59-55-40-51(33-34-57(55)72-62(58,60(54)59)69-37-4-2)71-50-31-29-46(30-32-50)45-21-10-7-11-22-45/h3-4,6-13,18-23,25-27,29-34,39-40,48,53,58-60,65-66H,1-2,5,14-17,24,28,35-38,41-43H2/t48-,53+,58-,59+,60+,62+/m0/s1
SMILES: CC1(N([C@H](CO1)/C=C\[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C46H55NO8/c1-45(2,3)55-44(48)47-38(32-53-46(47,4)5)26-27-39-41(50-29-35-20-12-7-13-21-35)43(52-31-37-24-16-9-17-25-37)42(51-30-36-22-14-8-15-23-36)40(54-39)33-49-28-34-18-10-6-11-19-34/h6-27,38-43H,28-33H2,1-5H3/b27-26-/t38-,39-,40+,41-,42-,43+/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCC5=CC=CC=C5OC)CO3
InChI: InChI=1S/C23H31NO4/c1-22-8-5-9-23(14-27-23)20(22)10-16-17(21(25)28-19(16)11-22)13-24-12-15-6-3-4-7-18(15)26-2/h3-4,6-7,16-17,19-20,24H,5,8-14H2,1-2H3/t16-,17+,19-,20-,22-,23+/m1/s1
SMILES: C[C@@H]1CC[C@@H](C[C@@H]1C)OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC=C(C=C3)Cl)C
InChI: InChI=1S/C20H25ClN2O3/c1-11-4-9-16(10-12(11)2)26-19(24)17-13(3)22-20(25)23-18(17)14-5-7-15(21)8-6-14/h5-8,11-12,16,18H,4,9-10H2,1-3H3,(H2,22,23,25)/t11-,12+,16+,18-/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@H]3[C@@H](C4=C([C@@H]2C1=O)C5=CC=CC=C5N4)N(C6=CC=CC=C36)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O
InChI: InChI=1S/C33H37N3O12/c1-35-30(44)20-18-12-6-2-4-8-14(12)34-22(18)23-19(21(20)31(35)45)13-7-3-5-9-15(13)36(23)32-27(42)26(41)29(17(11-38)46-32)48-33-28(43)25(40)24(39)16(10-37)47-33/h2-9,16-17,19-21,23-29,32-34,37-43H,10-11H2,1H3/t16-,17-,19+,20+,21-,23+,24-,25+,26-,27-,28-,29-,32-,33+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl
InChI: InChI=1S/C18H21BrClNO3/c19-13-7-8-15(20)14(10-13)18(23)24-11-17(22)21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10,12,16H,1-6,9,11H2/t12-,16-/m1/s1
SMILES: CO[C@@]12CC[C@@H](C=C1)[C@@H]3[C@@H]2C(=O)C4=C(C3=O)C=CC=C4O
InChI: InChI=1S/C17H16O4/c1-21-17-7-5-9(6-8-17)12-14(17)16(20)13-10(15(12)19)3-2-4-11(13)18/h2-5,7,9,12,14,18H,6,8H2,1H3/t9-,12-,14-,17-/m1/s1
SMILES: CN(C)C(=O)[C@@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H21N3O2/c1-13-17(19(24)23(2)3)18(22-20(25)21-13)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17-18H,1H2,2-3H3,(H2,21,22,25)/t17-,18-/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([S+]1C[C@H]([C@H](CO)OS(=O)(=O)[O-])O)CO)O)O
InChI: InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6-,7+,8-,9-,19?/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H16ClNO2S/c22-14-3-7-16(8-4-14)26-17-9-5-15(6-10-17)23-20(24)18-12-1-2-13(11-12)19(18)21(23)25/h1-10,12-13,18-19H,11H2/t12-,13+,18-,19+
SMILES: CC(C[C@H]([C@H]1C(O1)(C)C)O)[C@@H]2CC[C@]3([C@]2(CCC4C3=CC[C@@H]5[C@@]4(C[C@H](C(=O)C5(C)C)O)C)C)C
InChI: InChI=1S/C30H48O4/c1-17(15-21(31)25-27(4,5)34-25)18-11-13-30(8)20-9-10-23-26(2,3)24(33)22(32)16-28(23,6)19(20)12-14-29(18,30)7/h9,17-19,21-23,25,31-32H,10-16H2,1-8H3/t17?,18-,19?,21+,22+,23-,25-,28+,29-,30+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C30H29N3O8/c1-30-19(26(36)32(28(30)38)15-7-5-4-6-8-15)13-18-16(9-10-17-22(18)27(37)33(25(17)35)29(31)39)23(30)14-11-20(40-2)24(34)21(12-14)41-3/h4-9,11-12,17-19,22-23,34H,10,13H2,1-3H3,(H2,31,39)/t17-,18+,19-,22-,23-,30+/m0/s1
SMILES: CCCCCCCSC(=O)[C@H]1[C@H](O1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C25H31NO3S/c1-2-3-4-5-12-17-30-25(28)23-22(29-23)24(27)26(18-20-13-8-6-9-14-20)19-21-15-10-7-11-16-21/h6-11,13-16,22-23H,2-5,12,17-19H2,1H3/t22-,23+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC(=O)[C@H]1C[C@@H](C#C/C=C\C#C[C@@]([C@@]1(C=C)SC2=CC=CC=C2)(C)O[Si](C)(C)C(C)(C)C)OCOC
InChI: InChI=1S/C38H58O5SSi2/c1-15-38(44-33-24-20-18-21-25-33)34(35(39)42-46(29(2)3,30(4)5)31(6)7)27-32(41-28-40-12)23-19-16-17-22-26-37(38,11)43-45(13,14)36(8,9)10/h15-18,20-21,24-25,29-32,34H,1,27-28H2,2-14H3/b17-16-/t32-,34-,37-,38+/m1/s1
SMILES: C[C@H](CC(=O)[C@H]1C(O1)(C)C)[C@H]2C(=O)C[C@@]3([C@@]2(C[C@@H]([C@]45C3=CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)OC7[C@H]([C@@H]([C@@H](CO7)O)O)O)O)C)C
InChI: InChI=1S/C35H52O9/c1-17(12-18(36)28-31(4,5)44-28)25-19(37)13-32(6)22-9-8-21-30(2,3)24(43-29-27(41)26(40)20(38)15-42-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-41H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26-,27+,28+,29?,32+,33-,34-,35+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C16H23NO2/c1-11-4-3-5-14(12(11)2)17-9-13-6-7-15-16(8-13)19-10-18-15/h6-8,11-12,14,17H,3-5,9-10H2,1-2H3/p+1/t11-,12+,14-/m0/s1
SMILES: C[C@]1([C@@H]2C(=O)OC(=O)[C@@]2(N[C@@H]1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C21H18N2O7/c1-20(18(25)29-2)15-17(24)30-19(26)21(15,13-6-4-3-5-7-13)22-16(20)12-8-10-14(11-9-12)23(27)28/h3-11,15-16,22H,1-2H3/t15-,16+,20+,21+/m0/s1
SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)\C(C)C
InChI: InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26-,27+,28+,29-,30+/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2C3=C(CNC3=O)N[C@@H]4CCCC[C@H]4N2C(=O)CCC5=NC=CS5
InChI: InChI=1S/C24H28N4O3S/c1-31-19-9-5-2-6-15(19)23-22-17(14-26-24(22)30)27-16-7-3-4-8-18(16)28(23)21(29)11-10-20-25-12-13-32-20/h2,5-6,9,12-13,16,18,23,27H,3-4,7-8,10-11,14H2,1H3,(H,26,30)/t16-,18-,23-/m1/s1
SMILES: CC(C)CCC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CCC4=O)C)C
InChI: InChI=1S/C25H40O3/c1-16(2)5-10-23(27)28-18-11-13-24(3)17(15-18)6-7-19-20-8-9-22(26)25(20,4)14-12-21(19)24/h16-21H,5-15H2,1-4H3/t17-,18+,19-,20+,21+,24-,25-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)O
InChI: InChI=1S/C17H15F3N2O9S/c1-8(23)13-11-6-12(31-32(28,29)17(18,19)20)14(21(11)15(13)24)16(25)30-7-9-2-4-10(5-3-9)22(26)27/h2-5,8,11,13,23H,6-7H2,1H3/t8-,11-,13-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C44H38ClFN2O8/c1-44-32(41(51)48(43(44)53)27-12-16-34(46)33(45)21-27)22-31-29(39(44)25-9-17-35(49)37(20-25)56-4)14-15-30-38(31)42(52)47(40(30)50)26-10-6-23(7-11-26)5-8-24-19-28(54-2)13-18-36(24)55-3/h5-14,16-21,30-32,38-39,49H,15,22H2,1-4H3/t30-,31+,32-,38-,39-,44+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4)O)O
InChI: InChI=1S/C26H27NO8/c28-23-22(17-32-15-18-7-3-1-4-8-18)35-26(34-21-13-11-20(12-14-21)27(30)31)25(24(23)29)33-16-19-9-5-2-6-10-19/h1-14,22-26,28-29H,15-17H2/t22-,23+,24+,25-,26-/m1/s1
SMILES: CC(=O)C[C@H]1[C@@H](CC[C@H](N1C(=O)OC)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C=C
InChI: InChI=1S/C29H39NO4Si/c1-7-23-18-19-24(30(28(32)33-6)27(23)20-22(2)31)21-34-35(29(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h7-17,23-24,27H,1,18-21H2,2-6H3/t23-,24+,27+/m1/s1
SMILES: CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C27H32N2O/c1-3-4-16-29(27(30)26-18-25(26)22-12-6-5-7-13-22)20-24-15-10-17-28(24)19-23-14-9-8-11-21(23)2/h5-15,17,25-26H,3-4,16,18-20H2,1-2H3/t25-,26-/m0/s1
SMILES: C[C@H]1C=C(C[C@@H]2[C@H]1C(=O)N(C2=O)CC3=CN=CC=C3)C
InChI: InChI=1S/C16H18N2O2/c1-10-6-11(2)14-13(7-10)15(19)18(16(14)20)9-12-4-3-5-17-8-12/h3-6,8,11,13-14H,7,9H2,1-2H3/t11-,13+,14-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H](N(C1=O)CC2=CC=CC=C2)[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H](O3)OC(O5)(C)C)OC(O4)(C)C
InChI: InChI=1S/C23H29NO8/c1-12(25)27-16-14(24(20(16)26)11-13-9-7-6-8-10-13)15-17-18(30-22(2,3)29-17)19-21(28-15)32-23(4,5)31-19/h6-10,14-19,21H,11H2,1-5H3/t14-,15+,16+,17-,18-,19+,21+/m0/s1
SMILES: CCOC1O[C@]2(C#CC#C[C@]3([C@@](C#CC#C[C@]2(O1)C#C[Si](C(C)C)(C(C)C)C(C)C)(OC(O3)OCC)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C62H96O6Si4/c1-27-63-57-65-59(37-41-69(45(3)4,46(5)6)47(7)8)33-29-31-35-61(39-43-71(51(15)16,52(17)18)53(19)20)62(68-58(67-61)64-28-2,40-44-72(54(21)22,55(23)24)56(25)26)36-32-30-34-60(59,66-57)38-42-70(48(9)10,49(11)12)50(13)14/h45-58H,27-28H2,1-26H3/t57?,58?,59-,60+,61-,62+
SMILES: C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C19H25N3O3S/c1-11-6-7-14-15(10-11)26-19(20-14)21-16(23)8-9-22-17(24)12-4-2-3-5-13(12)18(22)25/h11-13H,2-10H2,1H3,(H,20,21,23)/t11-,12+,13+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=C(C=C4)Cl)C#N)CCC5[C@@]3(C=CC6=NC=CN56)C
InChI: InChI=1S/C28H31ClN4O/c1-27-11-9-21-19(4-8-24-28(21,2)12-10-25-31-13-14-33(24)25)20(27)5-6-22(27)26(34)32-23-7-3-18(29)15-17(23)16-30/h3,7,10,12-15,19-22,24H,4-6,8-9,11H2,1-2H3,(H,32,34)/t19-,20-,21-,22+,24?,27-,28+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2([C@H]([C@@H](O1)NC(=O)NC3=CC=C(C=C3)SC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI: InChI=1S/C27H47N3O7S2Si2/c1-25(2,3)40(8,9)34-16-21-27(20(28)17-39(32,33)37-27)22(36-41(10,11)26(4,5)6)23(35-21)30-24(31)29-18-12-14-19(38-7)15-13-18/h12-15,17,21-23H,16,28H2,1-11H3,(H2,29,30,31)/t21-,22+,23-,27-/m1/s1
SMILES: CC(C)C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3)[C@@]4(N1)C5=CC=CC=C5N(C4=O)CC=C
InChI: InChI=1S/C26H27N3O3/c1-4-14-28-20-13-9-8-12-18(20)26(25(28)32)22-21(19(27-26)15-16(2)3)23(30)29(24(22)31)17-10-6-5-7-11-17/h4-13,16,19,21-22,27H,1,14-15H2,2-3H3/t19-,21-,22+,26+/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@H]3[NH2+]2)Cl
InChI: InChI=1S/C17H22ClN3O3/c1-24-15-7-6-10(8-11(15)18)19-16(22)9-14-17(23)21-13-5-3-2-4-12(13)20-14/h6-8,12-14,20H,2-5,9H2,1H3,(H,19,22)(H,21,23)/p+1/t12-,13+,14+/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H](NC(=O)NC2=C)C3=CC=C(C=C3)SC
InChI: InChI=1S/C20H21N3O3S/c1-12-17(19(24)22-14-6-8-15(26-2)9-7-14)18(23-20(25)21-12)13-4-10-16(27-3)11-5-13/h4-11,17-18H,1H2,2-3H3,(H,22,24)(H2,21,23,25)/t17-,18+/m1/s1
SMILES: CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF.C[N+]1(C2CC(CC1[C@@H]3[C@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
InChI: InChI=1S/C25H31F3O5S.C19H22NO4S2.BrH/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4;1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3;3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q;+1;/p-1/t13-,15+,16+,18+,19+,22+,23+,24+,25+;11?,12?,13?,16-,17+;/m1../s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)[C@H](COCC4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C37H42O6/c1-37(2)42-35(33(40-25-31-19-11-5-12-20-31)27-38-23-29-15-7-3-8-16-29)36(43-37)34(41-26-32-21-13-6-14-22-32)28-39-24-30-17-9-4-10-18-30/h3-22,33-36H,23-28H2,1-2H3/t33-,34-,35-,36-/m0/s1
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)NCCCCCCNC(=O)CCCCCN4C(=O)CC(C4=O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C38H58N8O13/c47-20-27-31(51)32(52)33(53)38(59-27)58-26-18-30(50)46(37(26)57)15-7-3-4-10-28(48)40-13-5-1-2-6-14-41-35(55)25-9-8-16-45(25)36(56)24(17-22-19-39-21-42-22)44-34(54)23-11-12-29(49)43-23/h19,21,23-27,31-33,38,47,51-53H,1-18,20H2,(H,39,42)(H,40,48)(H,41,55)(H,43,49)(H,44,54)/t23-,24-,25-,26?,27+,31-,32-,33+,38+/m0/s1
SMILES: C1CCC(CC1)NC2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O)N
InChI: InChI=1S/C16H24N6O4/c17-13-10-14(19-7-18-13)22(15-12(25)11(24)9(6-23)26-15)16(21-10)20-8-4-2-1-3-5-8/h7-9,11-12,15,23-25H,1-6H2,(H,20,21)(H2,17,18,19)/t9-,11+,12+,15+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C(C=CC(=C23)C(=O)[O-])Cl)C4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C20H15ClF3NO2/c21-15-8-7-14(19(26)27)16-12-5-2-6-13(12)17(25-18(15)16)10-3-1-4-11(9-10)20(22,23)24/h1-5,7-9,12-13,17,25H,6H2,(H,26,27)/p-1/t12-,13-,17-/m0/s1
SMILES: COC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C4=CC=CC=C4
InChI: InChI=1S/C17H18N4O5/c1-25-17-20-12-11(9-5-3-2-4-6-9)18-8-19-15(12)21(17)16-14(24)13(23)10(7-22)26-16/h2-6,8,10,13-14,16,22-24H,7H2,1H3/t10-,13-,14-,16-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CC[C@@]3(COC(O3)(C)C)C)(C)O)(C)C
InChI: InChI=1S/C22H40O3/c1-18(2)11-8-12-21(6)16(18)10-14-22(7,23)17(21)9-13-20(5)15-24-19(3,4)25-20/h16-17,23H,8-15H2,1-7H3/t16-,17+,20+,21-,22+/m0/s1
SMILES: CC(C)C[C@H]1C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]([C@@H](C(=O)N1)NC(=O)OC(C)(C)C)C(C)C
InChI: InChI=1S/C25H37N3O5/c1-15(2)14-19-22(29)26-13-12-17-8-10-18(11-9-17)32-21(16(3)4)20(23(30)27-19)28-24(31)33-25(5,6)7/h8-13,15-16,19-21H,14H2,1-7H3,(H,26,29)(H,27,30)(H,28,31)/b13-12-/t19-,20-,21-/m0/s1
SMILES: CCC(CC)([C@@H]1C(=O)[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C32H38O6/c1-3-32(34,4-2)31-28(33)30(37-22-26-18-12-7-13-19-26)29(36-21-25-16-10-6-11-17-25)27(38-31)23-35-20-24-14-8-5-9-15-24/h5-19,27,29-31,34H,3-4,20-23H2,1-2H3/t27-,29-,30-,31+/m1/s1
SMILES: B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H](CC4=CC=CC=C4)Cl
InChI: InChI=1S/C22H32BClO2/c24-20(16-17-10-4-1-5-11-17)23-25-21(18-12-6-2-7-13-18)22(26-23)19-14-8-3-9-15-19/h1,4-5,10-11,18-22H,2-3,6-9,12-16H2/t20-,21-,22-/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C24H40N2O2/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21/h4-8,19-20,22-24,27H,9-18H2,1-3H3/p+2/t20-,22+,23-,24+/m0/s1
SMILES: CC(C)[C@H]1C[C@@H](C2=CC(=O)CCC[C@]12C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H36O2Si/c1-14(2)16-13-18(22-23(7,8)19(3,4)5)17-12-15(21)10-9-11-20(16,17)6/h12,14,16,18H,9-11,13H2,1-8H3/t16-,18+,20-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)N(N1C)C2=CC=CC=C2)N=C(C)C3=CC4=CC=CC=C4OC3=O
InChI: InChI=1S/C22H21N3O3/c1-14(18-13-16-9-7-8-12-19(16)28-22(18)27)23-20-15(2)24(3)25(21(20)26)17-10-5-4-6-11-17/h4-13,15,20H,1-3H3/t15-,20-/m0/s1
SMILES: C[C@H]1[C@@H](C2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)O
InChI: InChI=1S/C45H34N4O/c1-28-43-41(31-18-10-4-11-19-31)37-26-24-35(47-37)39(29-14-6-2-7-15-29)33-22-23-34(46-33)40(30-16-8-3-9-17-30)36-25-27-38(48-36)42(44(49-43)45(28)50)32-20-12-5-13-21-32/h2-28,45,47-48,50H,1H3/t28-,45+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)OC(=O)CN)C)C
InChI: InChI=1S/C29H51NO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18,30H2,1-5H3/t20-,21?,22?,23+,24-,25+,26+,28+,29-/m1/s1
SMILES: CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)OC(=O)C)C)O)C)CC=O)C)C
InChI: InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
SMILES: CC1(OC[C@]2(O1)[C@H]([C@H]3[C@@H](CO2)O[C@H](O3)[C@@H]4C[C@@H]4CCCC5=CC=CC=C5)OCC6=CC=C(C=C6)C7=CC=CC=C7)C
InChI: InChI=1S/C35H40O6/c1-34(2)38-23-35(41-34)32(36-21-25-16-18-27(19-17-25)26-13-7-4-8-14-26)31-30(22-37-35)39-33(40-31)29-20-28(29)15-9-12-24-10-5-3-6-11-24/h3-8,10-11,13-14,16-19,28-33H,9,12,15,20-23H2,1-2H3/t28-,29+,30+,31+,32-,33+,35-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3C[C@@H]4CCN3C[C@H]4O
InChI: InChI=1S/C24H33NO2Si/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-18-20-16-19-14-15-25(20)17-23(19)26/h4-13,19-20,23,26H,14-18H2,1-3H3/t19-,20-,23+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(O4)CO)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C37H29ClFN3O6/c38-21-8-6-20(7-9-21)37-29(34(45)42(36(37)47)40-23-12-10-22(39)11-13-23)18-28-26(32(37)30-17-14-25(19-43)48-30)15-16-27-31(28)35(46)41(33(27)44)24-4-2-1-3-5-24/h1-15,17,27-29,31-32,40,43H,16,18-19H2/t27-,28+,29-,31-,32+,37+/m0/s1