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  1. 1 - 35
Compound 1a
Drug synonym:Not Available
Molecular Weight:201.2643
Molecular Formula:C13H15NO
SMILES:CN1C(=CC2=CC=CC=C12)C1(O)CCC1
InChI:1S/C13H15NO/c1-14-11-6-3-2-5-10(11)9-12(14)13(15)7-4-8-13/h2-3,5-6,9,15H,4,7-8H2,1H3
InChIKey:FIQRXQDHXFKRAZ-UHFFFAOYSA-N
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Compound 3a
Drug synonym:Not Available
Molecular Weight:261.296
Molecular Formula:C13H11NO3S
SMILES:O=S(=O)(N1OC1C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C13H11NO3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13H
InChIKey:MKHGVMIXRPGHOO-UHFFFAOYSA-N
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Compound 3b
Drug synonym:Not Available
Molecular Weight:275.323
Molecular Formula:C14H13NO3S
SMILES:CC1=CC=C(C=C1)S(=O)(=O)N1OC1C1=CC=CC=C1
InChI:1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(16,17)15-14(18-15)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey:SYTQRZCKINWJKR-UHFFFAOYSA-N
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Compound 2a
Drug synonym:Not Available
Molecular Weight:215.2478
Molecular Formula:C13H13NO2
SMILES:CN1C2=CC=CC=C2C(=O)C11CCCC1=O
InChI:1S/C13H13NO2/c1-14-10-6-3-2-5-9(10)12(16)13(14)8-4-7-11(13)15/h2-3,5-6H,4,7-8H2,1H3
InChIKey:HHIFKMOWPHQXPW-UHFFFAOYSA-N
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Compound 3c
Drug synonym:Not Available
Molecular Weight:229.296
Molecular Formula:C10H15NO3S
SMILES:CC1(C)C2CC[C@]11CS(=O)(=O)N3O[C@@]13C2
InChI:1S/C10H15NO3S/c1-8(2)7-3-4-9(8)6-15(12,13)11-10(9,5-7)14-11/h7H,3-6H2,1-2H3/t7?,9-,10-,11?/m0/s1
InChIKey:GBBJBUGPGFNISJ-UPACWWRESA-N
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Compound 1b
Drug synonym:Not Available
Molecular Weight:215.2909
Molecular Formula:C14H17NO
SMILES:CCN1C2=CC=CC=C2C=C1C1(O)CCC1
InChI:1S/C14H17NO/c1-2-15-12-7-4-3-6-11(12)10-13(15)14(16)8-5-9-14/h3-4,6-7,10,16H,2,5,8-9H2,1H3
InChIKey:XWBKEHIUENJYEZ-UHFFFAOYSA-N
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Compound 1c
Drug synonym:Not Available
Molecular Weight:259.3434
Molecular Formula:C16H21NO2
SMILES:COCCCN1C2=CC=CC=C2C=C1C1(O)CCC1
InChI:1S/C16H21NO2/c1-19-11-5-10-17-14-7-3-2-6-13(14)12-15(17)16(18)8-4-9-16/h2-3,6-7,12,18H,4-5,8-11H2,1H3
InChIKey:QGEHDXLTTIHMCB-UHFFFAOYSA-N
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Compound 2b
Drug synonym:Not Available
Molecular Weight:229.2744
Molecular Formula:C14H15NO2
SMILES:CCN1C2=CC=CC=C2C(=O)C11CCCC1=O
InChI:1S/C14H15NO2/c1-2-15-11-7-4-3-6-10(11)13(17)14(15)9-5-8-12(14)16/h3-4,6-7H,2,5,8-9H2,1H3
InChIKey:SWCZCMFSWYMRKH-UHFFFAOYSA-N
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Compound 2c
Drug synonym:Not Available
Molecular Weight:273.327
Molecular Formula:C16H19NO3
SMILES:COCCCN1C2=CC=CC=C2C(=O)C11CCCC1=O
InChI:1S/C16H19NO3/c1-20-11-5-10-17-13-7-3-2-6-12(13)15(19)16(17)9-4-8-14(16)18/h2-3,6-7H,4-5,8-11H2,1H3
InChIKey:ZOSVFMWZFBKSBR-UHFFFAOYSA-N
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Compound 2d
Drug synonym:Not Available
Molecular Weight:245.2738
Molecular Formula:C14H15NO3
SMILES:COC1=C2C(=CC=C1)N(C)C1(CCCC1=O)C2=O
InChI:1S/C14H15NO3/c1-15-9-5-3-6-10(18-2)12(9)13(17)14(15)8-4-7-11(14)16/h3,5-6H,4,7-8H2,1-2H3
InChIKey:SNVMTRMGCCQHHO-UHFFFAOYSA-N
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Compound 2e
Drug synonym:Not Available
Molecular Weight:245.2738
Molecular Formula:C14H15NO3
SMILES:COC1=CC=C2N(C)C3(CCCC3=O)C(=O)C2=C1
InChI:1S/C14H15NO3/c1-15-11-6-5-9(18-2)8-10(11)13(17)14(15)7-3-4-12(14)16/h5-6,8H,3-4,7H2,1-2H3
InChIKey:JKCFPNJZCKSTHE-UHFFFAOYSA-N
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Compound 2f
Drug synonym:Not Available
Molecular Weight:275.2998
Molecular Formula:C15H17NO4
SMILES:COC1=CC=C2C(=O)C3(CCCC3=O)N(C)C2=C1OC
InChI:1S/C15H17NO4/c1-16-12-9(6-7-10(19-2)13(12)20-3)14(18)15(16)8-4-5-11(15)17/h6-7H,4-5,8H2,1-3H3
InChIKey:KQOGINAQZSGILN-UHFFFAOYSA-N
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Compound 2g
Drug synonym:Not Available
Molecular Weight:249.693
Molecular Formula:C13H12ClNO2
SMILES:CN1C2=C(Cl)C=CC=C2C(=O)C11CCCC1=O
InChI:1S/C13H12ClNO2/c1-15-11-8(4-2-5-9(11)14)12(17)13(15)7-3-6-10(13)16/h2,4-5H,3,6-7H2,1H3
InChIKey:HGGIRPXBJYXHMN-UHFFFAOYSA-N
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Compound 1h
Drug synonym:Not Available
Molecular Weight:277.3603
Molecular Formula:C19H19NO
SMILES:CN1C2=CC=CC=C2C=C1[C@@]1(O)C[C@@H](C1)C1=CC=CC=C1
InChI:1S/C19H19NO/c1-20-17-10-6-5-9-15(17)11-18(20)19(21)12-16(13-19)14-7-3-2-4-8-14/h2-11,16,21H,12-13H2,1H3/t16-,19+
InChIKey:LQVQWUIJJYBBDW-UWUNEBHHSA-N
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Compound 1i
Drug synonym:Not Available
Molecular Weight:321.4128
Molecular Formula:C21H23NO2
SMILES:CN1C(=CC2=CC=CC=C12)[C@@]1(O)C[C@H](COCC2=CC=CC=C2)C1
InChI:1S/C21H23NO2/c1-22-19-10-6-5-9-18(19)11-20(22)21(23)12-17(13-21)15-24-14-16-7-3-2-4-8-16/h2-11,17,23H,12-15H2,1H3/t17-,21+
InChIKey:WZSWQWIZSIVCRJ-UEDWGHLCSA-N
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Compound 1j
Drug synonym:Not Available
Molecular Weight:255.3547
Molecular Formula:C17H21NO
SMILES:CN1C2=CC=CC=C2C=C1C1(O)CC2(C1)CCCC2
InChI:1S/C17H21NO/c1-18-14-7-3-2-6-13(14)10-15(18)17(19)11-16(12-17)8-4-5-9-16/h2-3,6-7,10,19H,4-5,8-9,11-12H2,1H3
InChIKey:SHACXMYDUUSBAO-UHFFFAOYSA-N
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Compound 1k
Drug synonym:Not Available
Molecular Weight:269.3813
Molecular Formula:C18H23NO
SMILES:CN1C2=CC=CC=C2C=C1C1(O)CC2(C1)CCCCC2
InChI:1S/C18H23NO/c1-19-15-8-4-3-7-14(15)11-16(19)18(20)12-17(13-18)9-5-2-6-10-17/h3-4,7-8,11,20H,2,5-6,9-10,12-13H2,1H3
InChIKey:SDJPJLSREAGNRH-UHFFFAOYSA-N
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Compound 1l
Drug synonym:Not Available
Molecular Weight:283.4079
Molecular Formula:C19H25NO
SMILES:CN1C2=CC=CC=C2C=C1C1(O)CC2(C1)CCCCCC2
InChI:1S/C19H25NO/c1-20-16-9-5-4-8-15(16)12-17(20)19(21)13-18(14-19)10-6-2-3-7-11-18/h4-5,8-9,12,21H,2-3,6-7,10-11,13-14H2,1H3
InChIKey:AOCVYLJVRCRPHG-UHFFFAOYSA-N
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Compound 2h
Drug synonym:Not Available
Molecular Weight:291.3438
Molecular Formula:C19H17NO2
SMILES:CN1C2=CC=CC=C2C(=O)[C@@]11C[C@@H](CC1=O)C1=CC=CC=C1
InChI:1S/C19H17NO2/c1-20-16-10-6-5-9-15(16)18(22)19(20)12-14(11-17(19)21)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3/t14-,19+/m1/s1
InChIKey:GDBMCBWFVJUZFY-KUHUBIRLSA-N
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Compound 2i
Drug synonym:Not Available
Molecular Weight:335.3963
Molecular Formula:C21H21NO3
SMILES:CN1C2=CC=CC=C2C(=O)[C@@]11C[C@H](COCC2=CC=CC=C2)CC1=O
InChI:1S/C21H21NO3/c1-22-18-10-6-5-9-17(18)20(24)21(22)12-16(11-19(21)23)14-25-13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3/t16-,21+/m1/s1
InChIKey:JGVNIYOJFMCWAH-IERDGZPVSA-N
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Compound 2j
Drug synonym:Not Available
Molecular Weight:269.3383
Molecular Formula:C17H19NO2
SMILES:CN1C2=CC=CC=C2C(=O)C11CC2(CCCC2)CC1=O
InChI:1S/C17H19NO2/c1-18-13-7-3-2-6-12(13)15(20)17(18)11-16(10-14(17)19)8-4-5-9-16/h2-3,6-7H,4-5,8-11H2,1H3
InChIKey:CQSOPHSFEZNIKX-UHFFFAOYSA-N
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Compound 2k
Drug synonym:Not Available
Molecular Weight:283.3648
Molecular Formula:C18H21NO2
SMILES:CN1C2=CC=CC=C2C(=O)C11CC2(CC1=O)CCCCC2
InChI:1S/C18H21NO2/c1-19-14-8-4-3-7-13(14)16(21)18(19)12-17(11-15(18)20)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKey:HSCVPQVUEWWPDB-UHFFFAOYSA-N
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Compound 2l
Drug synonym:Not Available
Molecular Weight:297.3914
Molecular Formula:C19H23NO2
SMILES:CN1C2=CC=CC=C2C(=O)C11CC2(CC1=O)CCCCCC2
InChI:1S/C19H23NO2/c1-20-15-9-5-4-8-14(15)17(22)19(20)13-18(12-16(19)21)10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKey:BLXNOWADDJCCAR-UHFFFAOYSA-N
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Compound 1
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 1d
Drug synonym:Not Available
Molecular Weight:231.2903
Molecular Formula:C14H17NO2
SMILES:COC1=C2C=C(N(C)C2=CC=C1)C1(O)CCC1
InChI:1S/C14H17NO2/c1-15-11-5-3-6-12(17-2)10(11)9-13(15)14(16)7-4-8-14/h3,5-6,9,16H,4,7-8H2,1-2H3
InChIKey:QWGOXTNJRBHIIB-UHFFFAOYSA-N
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Compound 1e
Drug synonym:Not Available
Molecular Weight:231.2903
Molecular Formula:C14H17NO2
SMILES:COC1=CC=C2N(C)C(=CC2=C1)C1(O)CCC1
InChI:1S/C14H17NO2/c1-15-12-5-4-11(17-2)8-10(12)9-13(15)14(16)6-3-7-14/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKey:OXNDWFPNVNEGDS-UHFFFAOYSA-N
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Compound 1f
Drug synonym:Not Available
Molecular Weight:261.3163
Molecular Formula:C15H19NO3
SMILES:COC1=CC=C2C=C(N(C)C2=C1OC)C1(O)CCC1
InChI:1S/C15H19NO3/c1-16-12(15(17)7-4-8-15)9-10-5-6-11(18-2)14(19-3)13(10)16/h5-6,9,17H,4,7-8H2,1-3H3
InChIKey:HOPDFQZAPVMRGB-UHFFFAOYSA-N
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Compound 1g
Drug synonym:Not Available
Molecular Weight:235.709
Molecular Formula:C13H14ClNO
SMILES:CN1C(=CC2=CC=CC(Cl)=C12)C1(O)CCC1
InChI:1S/C13H14ClNO/c1-15-11(13(16)6-3-7-13)8-9-4-2-5-10(14)12(9)15/h2,4-5,8,16H,3,6-7H2,1H3
InChIKey:YWNMHOIOTVNLAX-UHFFFAOYSA-N
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Compound 2
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 4
Drug synonym:Not Available
Molecular Weight:259.324
Molecular Formula:C14H13NO2S
SMILES:CC1=CC=C(C=C1)S(=O)(=O)\N=C/C1=CC=CC=C1
InChI:1S/C14H13NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKey:HVCKVBQOKOFBFH-RVDMUPIBSA-N
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Compound 5
Drug synonym:Not Available
Molecular Weight:106.1219
Molecular Formula:C7H6O
SMILES:[H]C(=O)C1=CC=CC=C1
InChI:1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N
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Compound 6
Drug synonym:Not Available
Molecular Weight:171.217
Molecular Formula:C7H9NO2S
SMILES:CC1=CC=C(C=C1)S(N)(=O)=O
InChI:1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey:LMYRWZFENFIFIT-UHFFFAOYSA-N
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Compound 1m
Drug synonym:Not Available
Molecular Weight:231.2903
Molecular Formula:C14H17NO2
SMILES:COCN1C2=CC=CC=C2C=C1C1(O)CCC1
InChI:1S/C14H17NO2/c1-17-10-15-12-6-3-2-5-11(12)9-13(15)14(16)7-4-8-14/h2-3,5-6,9,16H,4,7-8,10H2,1H3
InChIKey:RMMINCDRZPKGET-UHFFFAOYSA-N
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Compound 7m
Drug synonym:Not Available
Molecular Weight:474.571
Molecular Formula:C27H26N2O4S
SMILES:[H][C@@]12O[C@@H](N([C@]11N(COC11CCC1)C1=CC=CC=C21)S(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC=C1
InChI:1S/C27H26N2O4S/c1-19-12-14-21(15-13-19)34(30,31)29-25(20-8-3-2-4-9-20)33-24-22-10-5-6-11-23(22)28-18-32-26(16-7-17-26)27(24,28)29/h2-6,8-15,24-25H,7,16-18H2,1H3/t24-,25-,27+/m0/s1
InChIKey:JGFYDZBJEQQCBU-OHSXHVKISA-N
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Compound 9j
Drug synonym:Not Available
Molecular Weight:546.677
Molecular Formula:C31H34N2O5S
SMILES:CN1C2=CC=CC=C2C(=O)[C@@]1(N([C@@H](O)C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1)C1(O)CC2(C1)CCCC2
InChI:1S/C31H34N2O5S/c1-22-14-16-24(17-15-22)39(37,38)33(28(35)23-10-4-3-5-11-23)31(30(36)20-29(21-30)18-8-9-19-29)27(34)25-12-6-7-13-26(25)32(31)2/h3-7,10-17,28,35-36H,8-9,18-21H2,1-2H3/t28-,31+/m0/s1
InChIKey:OYTYPAYSJXXWOA-QCENPCRXSA-N
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