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• 6-Oxabicyclo[3.1.0]hexane-3-carboxylic acid, methyl ester, (1a,3a,5a)-

IUPAC Name: methyl (1S,5S)-6-oxabicyclo[3.1.0]hexane-3-carboxylate | CAS Registry Number: 86885-57-6
Synonyms: trans-Methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate, SCHEMBL3547656, MolPort-035-757-591, AKOS024463608, AK162207

Molecular Formula:	C₇H₁₀O₃	Molecular Weight:	142.152500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VQWDWFRQNVCVBK-WDSKDSINSA-N

• 5-Thiazolecarboxylic acid, 2-(methoxymethyl)-4-methyl-, ethyl ester

IUPAC Name: ethyl 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 136204-59-6
Synonyms: SCHEMBL3274867, IQZCZEBSILXGEN-UHFFFAOYSA-N, TS-00463, 2-methoxymethyl-4-methylthiazole-5-carboxylic acid ethyl ester, Ethyl 2-(Methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylate

Molecular Formula:	C₉H₁₃NO₃S	Molecular Weight:	215.269420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: IQZCZEBSILXGEN-UHFFFAOYSA-N

• 7-hydroxy-4-methyl-3-propyl-2H-chromen-2-one

IUPAC Name: 7-hydroxy-4-methyl-3-propylchromen-2-one | CAS Registry Number: 19491-93-1
Synonyms: 7-Hydroxy-4-methyl-3-propyl-2H-chromen-2-one, ZINC00308176, AC1NT9DT, AC1Q2UQH, Oprea1_330247, Oprea1_639112, CHEMBL591811, STOCK2S-10218, CTK0A0678, CHEBI:690514, MolPort-001-797-996, STK870965, AKOS000618306, MCULE-2872863864, BAS 00584699, Coumarin, 7-hydroxy-4-methyl-3-propyl-, 7-hydroxy-4-methyl-3-propylchromen-2-one, 7-Hydroxy-4-methyl-3-propyl-chromen-2-one, 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-3-propyl-

Molecular Formula:	C₁₃H₁₄O₃	Molecular Weight:	218.248460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HKJUWQFMRNKNAF-UHFFFAOYSA-N

• 3-chloro-7-hydroxy-4-phenyl-2H-chromen-2-one

IUPAC Name: 3-chloro-7-hydroxy-4-phenylchromen-2-one | CAS Registry Number: 153333-25-6
Synonyms: KB-235855, 3-chloro-7-hydroxy-4-phenyl-2h-chromen-2-one

Molecular Formula:	C₁₅H₉ClO₃	Molecular Weight:	272.683160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JJBMJQSVCIWCNG-UHFFFAOYSA-N

• 7-hydroxy-3-methyl-2H-chromen-2-one

IUPAC Name: 7-hydroxy-3-methylchromen-2-one | CAS Registry Number: 4069-67-4
Synonyms: AGN-PC-00LM3I, CHEMBL593424, CTK8I6245, CHEBI:690513, AKOS006330322, AB50338, 2H-1-Benzopyran-2-one, 7-hydroxy-3-methyl-, 7-HYDROXY-3-METHYL-2H-1-BENZOPYRAN-2-ONE

Molecular Formula:	C₁₀H₈O₃	Molecular Weight:	176.168720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZLQJVGSVJRBUNL-UHFFFAOYSA-N

• 2H-1,4-Benzoxazin-3(4H)-one, 7-fluoro-6-nitro-

IUPAC Name: 7-fluoro-6-nitro-4H-1,4-benzoxazin-3-one | CAS Registry Number: 103361-67-7
Synonyms: AGN-PC-00NQZJ, ACMC-20m67v, SureCN8917238, CTK0G7082

Molecular Formula:	C₈H₅FN₂O₄	Molecular Weight:	212.134703 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: MNUBUFBVOBPANC-UHFFFAOYSA-N

• (1H-Benzoimidazol-2-ylmethyl)-carbamic acid tert-butyl ester

IUPAC Name: tert-butyl N-(1H-benzimidazol-2-ylmethyl)carbamate | CAS Registry Number: 189560-83-6
Synonyms: tert-Butyl ((1H-benzo[d]imidazol-2-yl)methyl)carbamate, SCHEMBL6297783, WRAOGDJKTDDORV-UHFFFAOYSA-N, MFCD18007689, ZINC54347644, AKOS017480600, AK339813, tert-Butyl 1H-benzimidazol-2-ylmethylcarbamate, A1-01088, 2-(tert-Butyloxycarbonylaminomethyl)-1H-benzoimidazole, Ert-butyl ((1H-benzo[d]imidazol-2-yl)methyl)carbamate, tert-butyl N-(1H-1,3-benzodiazol-2-ylmethyl)carbamate

Molecular Formula:	C₁₃H₁₇N₃O₂	Molecular Weight:	247.298 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WRAOGDJKTDDORV-UHFFFAOYSA-N

• (3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-acetic acid methyl ester

IUPAC Name: methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetate | CAS Registry Number: 866038-49-5
Synonyms: Methyl (3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)acetate, Bionet2_001534, AC1MX6EI, SureCN3087984, CTK6J2001, methyloxodihydrobenzoxazinylacetate, MolPort-000-005-165, HMS1368G15, SBB096121, ZINC06640110, AKOS005070640, AG-A-04055, MCULE-3808665911, RP12786, AK-69254, KB-254646, O57025, 4X-0904, methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetate, methyl 2-(3-oxo-2,4-dihydro-1,4-benzoxazin-6-yl)acetate

Molecular Formula:	C₁₁H₁₁NO₄	Molecular Weight:	221.209340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BSLHZQGTOQQCMK-UHFFFAOYSA-N

• (6,7-Dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-yl)-methanol

IUPAC Name: [(5S)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-yl]methanol | CAS Registry Number: 1190392-80-3
Synonyms: (S)-(6,7-Dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-yl)methanol, SureCN1155877, CTK8B9207, ANW-62205, AKOS016005555, AK102351, KB-210535

Molecular Formula:	C₆H₉N₃O	Molecular Weight:	139.155160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OKLMNNIODAMXJU-YFKPBYRVSA-N

• 1-Amino-1H-imidazole-2-carboxylic acid ethyl ester

IUPAC Name: ethyl 1-aminoimidazole-2-carboxylate | CAS Registry Number: 1008130-15-1
Synonyms: ethyl 1-amino-1H-imidazole-2-carboxylate, SCHEMBL151256, VUEWVPSSFIXDKG-UHFFFAOYSA-N, ZINC79064657, AKOS027324192, AK317064

Molecular Formula:	C₆H₉N₃O₂	Molecular Weight:	155.157 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VUEWVPSSFIXDKG-UHFFFAOYSA-N

• 1-Azetidin-3-yl-1H-imidazole

IUPAC Name: 1-(azetidin-3-yl)imidazole;hydrochloride | CAS Registry Number: 153836-44-3
Synonyms: 1-(azetidin-3-yl)-1H-imidazole hydrochloride, SureCN7401834, CTK8B9204, ANW-62202, AKOS016005573, AK102354, KB-215606

Molecular Formula:	C₆H₁₀ClN₃	Molecular Weight:	159.616700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: LOXVISDLNHWOKO-UHFFFAOYSA-N

• 1-Chroman-4-yl-propan-2-one

IUPAC Name: 1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one | CAS Registry Number: 119304-98-2
Synonyms: AGN-PC-000P1F, 1-(chroman-4-yl)propan-2-one, 2-Propanone, 1-(3,4-dihydro-2H-1-benzopyran-4-yl)-

Molecular Formula:	C₁₂H₁₄O₂	Molecular Weight:	190.238360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PKRDXJWJSDVGGN-UHFFFAOYSA-N

• 1H-Pyrrolo[3,2-b]pyridine-7-carboxylic acid ethyl ester

IUPAC Name: ethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate | CAS Registry Number: 1261542-88-4
Synonyms: KB-219030, 1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid ethyl ester

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZMRFSHQYVZYAPJ-UHFFFAOYSA-N

• 1-Methoxy-isochroman

IUPAC Name: 1-methoxy-3,4-dihydro-1H-isochromene | CAS Registry Number: 34818-49-0
Synonyms: 1-methoxyisochroman, AGN-PC-00N9UM, SureCN9151421, 1H-2-Benzopyran, 3,4-dihydro-1-methoxy-

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WDJCAJQOXSPJJF-UHFFFAOYSA-N

• 1-tert-Butyl-1H-[1,2,3]triazole-4-carboxylic acid

IUPAC Name: 1-tert-butyltriazole-4-carboxylic acid | CAS Registry Number: 1260665-09-5
Synonyms: 1-TERT-BUTYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID, SCHEMBL14234540, MolPort-029-460-541, ZINC79065572, AKOS023362674, AB72982, MCULE-5413910772, NE30622, AK336754, 1-(tert-Butyl)-1H-1,2,3-triazole-4-carboxylic acid, Z1837073460

Molecular Formula:	C₇H₁₁N₃O₂	Molecular Weight:	169.184 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MNFXHDKCPWMRCJ-UHFFFAOYSA-N

• 1-tert-Butyl-3-nitro-1H-[1,2,4]triazole

IUPAC Name: 1-tert-butyl-3-nitro-1,2,4-triazole | CAS Registry Number: 1185760-32-0
Synonyms: 1-(tert-Butyl)-3-nitro-1H-1,2,4-triazole, MFCD22056230, ZINC79065565, AKOS027335397, AK336798

Molecular Formula:	C₆H₁₀N₄O₂	Molecular Weight:	170.172 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BPLNOVCERPNHDL-UHFFFAOYSA-N

• 2-(1-Chloro-ethyl)-3-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CAS: 1029280-27-0)

• 2-(3-Methyl-[1,2,4]triazol-4-yl)-benzoic acid (CAS: 25380-37-4)

• 2-Chloro-3-ethynyl-quinoline

IUPAC Name: 2-chloro-3-ethynylquinoline | CAS Registry Number: 1000782-65-9
Synonyms: 2-chloro-3-ethynylquinoline, AKOS006304634, KB-229440

Molecular Formula:	C₁₁H₆ClN	Molecular Weight:	187.625040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IVPMJQRHVZSWCP-UHFFFAOYSA-N

• 2-Chloro-4-fluoro-benzooxazole

IUPAC Name: 2-chloro-4-fluoro-1,3-benzoxazole | CAS Registry Number: 1163123-39-4
Synonyms: 2-chloro-4-fluorobenzo[d]oxazole, SureCN3656157, 2-CHLORO-4-FLUORO-BENZOOXAZOLE, AB70786, KB-22276, 2-CHLORO-4-FLUORO-1,3-BENZOXAZOLE

Molecular Formula:	C₇H₃ClFNO	Molecular Weight:	171.556223 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CBASZTHGTVVIGC-UHFFFAOYSA-N

• 2-Chloro-benzoimidazole-1-carboxylic acid tert-butyl ester

IUPAC Name: tert-butyl 2-chlorobenzimidazole-1-carboxylate | CAS Registry Number: 214147-60-1
Synonyms: tert-Butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate, SCHEMBL4698252, MolPort-023-284-554, NSCSJISDXDCCGL-UHFFFAOYSA-N, AKOS024463278, AK160486, KB-22808, 1-t-butyloxycarbonyl-2-chlorobenzimidazole, AJ-123088, ST24049670, tert-butyl 2-chloro-1H-benzimidazole-1-carboxylate, tert-butyl 2-chloro-1H-1,3-benzimidazole-1-carboxylate, 2-Chlorobenzoimidazole-1-carboxylic acid tert-butyl ester

Molecular Formula:	C₁₂H₁₃ClN₂O₂	Molecular Weight:	252.696820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NSCSJISDXDCCGL-UHFFFAOYSA-N

• 2-Chloromethyl-6-methyl-imidazo[1,2-b]pyridazine

IUPAC Name: 2-(chloromethyl)-6-methylimidazo[1,2-b]pyridazine | CAS Registry Number: 1201597-29-6
Synonyms: 2-(chloromethyl)-6-methylimidazo[1,2-b]pyridazine, SCHEMBL1507163, YCQQTWDXXVJNSX-UHFFFAOYSA-N, DA-14601

Molecular Formula:	C₈H₈ClN₃	Molecular Weight:	181.622220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YCQQTWDXXVJNSX-UHFFFAOYSA-N

• 2-Imidazol-1-yl-acetamidine

IUPAC Name: 2-imidazol-1-ylethanimidamide | CAS Registry Number: 1016807-59-2
Synonyms: 2-(1H-Imidazol-1-yl)acetimidamide, AKOS000196807

Molecular Formula:	C₅H₈N₄	Molecular Weight:	124.147 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ORTAIQBSPGVIGW-UHFFFAOYSA-N

• 3-Bromo-[1,5]naphthyridin-2-ol

IUPAC Name: 3-bromo-1H-1,5-naphthyridin-2-one | CAS Registry Number: 859986-64-4
Synonyms: 3-Bromo-1,5-naphthyridin-2(1H)-one, SureCN8213879, AKOS016015667

Molecular Formula:	C₈H₅BrN₂O	Molecular Weight:	225.042100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DOLOOTZBCRCOGK-UHFFFAOYSA-N

• 3-Bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

IUPAC Name: 3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid | CAS Registry Number: 1190314-17-0
Synonyms: 3-BROMO-7-AZAINDOLE-4-CARBOXYLIC ACID, 3-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID, SureCN2312026, PB34742, KB-234837, 1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID, 3-BROMO-

Molecular Formula:	C₈H₅BrN₂O₂	Molecular Weight:	241.041500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DLHZKMNKZGVAEW-UHFFFAOYSA-N

• 3-Bromo-2-trifluoromethyl-imidazo[1,2-a]pyridine

IUPAC Name: 3-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine | CAS Registry Number: 503172-42-7
Synonyms: 3-Bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine, SureCN10012248, CTK5I9059, MolPort-009-194-501, SBB102870, ZINC36533761, AKOS005072472, AG-A-57856, ED-0250, MCULE-8869501205, RP14901, KB-85749, 3-bromo-2-(trifluoromethyl)-4-hydroimidazo[1,2-a]pyridine

Molecular Formula:	C₈H₄BrF₃N₂	Molecular Weight:	265.029970 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: UWFXWNIDZUWCAY-UHFFFAOYSA-N

• 3-Chloro-isoquinolin-4-ol

IUPAC Name: 3-chloroisoquinolin-4-ol | CAS Registry Number: 101774-33-8
Synonyms: 3-CHLOROISOQUINOLIN-4-OL, CL1036, KB-235874

Molecular Formula:	C₉H₆ClNO	Molecular Weight:	179.603040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HLMAYSDUIAOBQE-UHFFFAOYSA-N

• 3-Ethyl-7-hydroxy-chromen-2-one

IUPAC Name: 3-ethyl-7-hydroxychromen-2-one | CAS Registry Number: 43217-19-2
Synonyms: SCHEMBL220708, 3-ethyl-7-hydroxy-chromen-2-one, AKOS023883315

Molecular Formula:	C₁₁H₁₀O₃	Molecular Weight:	190.195300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GZYCXZFNSPIPGH-UHFFFAOYSA-N

• 3-Methyl-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid ethyl ester

IUPAC Name: ethyl 3-methyl-4-oxo-1H-quinoline-2-carboxylate | CAS Registry Number: 402491-57-0
Synonyms: ETHYL 4-HYDROXY-3-METHYLQUINOLINE-2-CARBOXYLATE, 219949-95-8, ethyl 3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylate, SCHEMBL4463471, DTXSID00476988, ZINC32501178, AKOS023553313, AKOS027336287, AB50469

Molecular Formula:	C₁₃H₁₃NO₃	Molecular Weight:	231.251 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RJWLKJVVXOEFDR-UHFFFAOYSA-N

• 4-Chloro-benzo[d]isoxazol-3-ylamine

IUPAC Name: 4-chloro-1,2-benzoxazol-3-amine | CAS Registry Number: 868271-15-2
Synonyms: 4-Chlorobenzo[d]isoxazol-3-amine, SureCN8249434, 4-chloro-1,2-benzoxazol-3-amine, AKOS009320536, QC-8457, AK137910, KB-241743

Molecular Formula:	C₇H₅ClN₂O	Molecular Weight:	168.580400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IHRBIDHQEMTPAK-UHFFFAOYSA-N

• 4-Hydroxy-2,2-dimethyl-chroman-5-carboxylic acid

IUPAC Name: 4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-5-carboxylic acid | CAS Registry Number: 158227-26-0
Synonyms: 4-Hydroxy-2,2-dimethylchroman-5-carboxylic acid, AKOS027337825, CS-W000498, AK339624

Molecular Formula:	C₁₂H₁₄O₄	Molecular Weight:	222.240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: YEFMXAXWEWYHNI-UHFFFAOYSA-N

• 5-(2,4-Dichloro-phenyl)-[1,3,4]thiadiazole-2-thiol

IUPAC Name: 5-(2,4-dichlorophenyl)-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 108413-59-8
Synonyms: SureCN8045944, KB-243264, 5-(2,4-dichlorophenyl)-1,3,4-thiadiazole-2-thiol

Molecular Formula:	C₈H₄Cl₂N₂S₂	Molecular Weight:	263.166760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LRPFZDAHTZZHNF-UHFFFAOYSA-N

• 5-(3-Chloro-phenyl)-[1,3,4]thiadiazole-2-thiol

IUPAC Name: 5-(3-chlorophenyl)-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 85103-29-3
Synonyms: SureCN8042130, AGN-PC-003638, KB-243467, 5-(3-chlorophenyl)-1,3,4-thiadiazole-2-thiol, 5-(3-chlorophenyl)-3H-1,3,4-thiadiazole-2-thione

Molecular Formula:	C₈H₅ClN₂S₂	Molecular Weight:	228.721700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SWGXUOSCGPQWJY-UHFFFAOYSA-N

• 5-(3-Fluoro-phenyl)-[1,3,4]thiadiazole-2-thiol

IUPAC Name: 5-(3-fluorophenyl)-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 276254-76-3
Synonyms: SureCN8047555, AKOS003676637, KB-243482, 5-(3-fluorophenyl)-1,3,4-thiadiazole-2-thiol

Molecular Formula:	C₈H₅FN₂S₂	Molecular Weight:	212.267103 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KMUGZQUJQXAZQC-UHFFFAOYSA-N

• 5-Ethyl-[1,3,4]oxadiazole-2-thiol

IUPAC Name: 5-ethyl-3H-1,3,4-oxadiazole-2-thione | CAS Registry Number: 62999-57-9
Synonyms: 5-Ethyl-1,3,4-oxadiazole-2-thiol, SCHEMBL9555068, ZINC8731367, AKOS003676838, AKOS027461276

Molecular Formula:	C₄H₆N₂OS	Molecular Weight:	130.165 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NPXUQNFZTVOECH-UHFFFAOYSA-N

• 5-Fluoro-3,3-dimethyl-2,3-dihydro-1H-indole

IUPAC Name: 5-fluoro-3,3-dimethyl-1,2-dihydroindole | CAS Registry Number: 225642-33-1
Synonyms: SureCN2258910, 5-FLUORO-3,3-DIMETHYLINDOLINE

Molecular Formula:	C₁₀H₁₂FN	Molecular Weight:	165.207383 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OJVRHJFNQKFPBY-UHFFFAOYSA-N

• 5-Phenyl-6H-[1,3,4]thiadiazin-2-ylamine

IUPAC Name: 5-phenyl-6H-1,3,4-thiadiazin-2-amine | CAS Registry Number: 55185-77-8
Synonyms: 5-phenyl-6H-1,3,4-thiadiazin-2-amine, STK847473, 58954-39-5, 5-phenyl-6H-1,3,4-thiadiazine-2-ylamine, AC1LDIXC, CBDivE_011635, CBDivE_014283, AC1Q533O, STOCK1S-36535, CTK1G8846, MolPort-000-149-911, MolPort-008-323-618, HMS1578F15, ALBB-006737, SBB080862, STK124721, AKOS000266326, AKOS005627671, AG-L-23751, MCULE-5581741641

Molecular Formula:	C₉H₉N₃S	Molecular Weight:	191.252860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SCQDMIFRQDAQPV-UHFFFAOYSA-N

• 5-tert-Butyl-oxazol-2-ylamine

IUPAC Name: 5-tert-butyl-1,3-oxazol-2-amine | CAS Registry Number: 33124-07-1
Synonyms: 5-TERT-BUTYL-1,3-OXAZOL-2-AMINE, SureCN1979674, AGN-PC-002078, 5-TERT-BUTYLOXAZOL-2-AMINE, AKOS006337881, 5-TERT-BUTYL-OXAZOL-2-YLAMINE, AB66818

Molecular Formula:	C₇H₁₂N₂O	Molecular Weight:	140.182980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GYWBXEAFBLQSHY-UHFFFAOYSA-N

• 6-Methoxy-4-oxo-1,4-dihydro-[1,5]naphthyridine-3-carboxylic acid ethyl ester

IUPAC Name: ethyl 6-methoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylate | CAS Registry Number: 53241-92-2
Synonyms: UQVDJAIJPVHGER-UHFFFAOYSA-N, ethyl 4-hydroxy-6-methoxy-1,5-naphthyridine-3-carboxylate, 724788-63-0, Ethyl 6-methoxy-4-oxo-1,4-dihydro-1,5-naphthyridine-3-carboxylate, AC1LCICE, SCHEMBL622321, MFCD20922971, ZINC32220593, AKOS027254638, AKOS027337930, AK205228, AK339808, FT-0690177, KB-3356549, 3-Carbethoxy-4-hydroxy-6-methoxy-1,5-naphthyridine, ethyl 6-methoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylate, Ethyl 4-hydroxy-6-methoxy[1,5]naphthyridine-3-carboxylate #, 6-Methoxy-1,5-naphthyridine-4-oxo-3-carboxylic acid ethyl ester

Molecular Formula:	C₁₂H₁₂N₂O₄	Molecular Weight:	248.238 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: UQVDJAIJPVHGER-UHFFFAOYSA-N

• 6-tert-Butyl-3,4-dihydro-2H-isoquinolin-1-one

IUPAC Name: 6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one | CAS Registry Number: 1178884-68-8
Synonyms: SCHEMBL1432009, KVSRTYBIFKWHND-UHFFFAOYSA-N, AKOS022534696, KB-270229, 6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one, 6-tert-butyl-3,4-dihydroisoquinolin-1(2h)-one

Molecular Formula:	C₁₃H₁₇NO	Molecular Weight:	203.280180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KVSRTYBIFKWHND-UHFFFAOYSA-N

• 7-Bromo-1-methyl-1,2,3,4-tetrahydro-isoquinoline; compound with oxalic acid

IUPAC Name: 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline | CAS Registry Number: 1176414-95-1
Synonyms: 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline, SCHEMBL1011034, XACRZPKKWVBSHB-UHFFFAOYSA-N, MFCD18306484, AKOS012576255, AK336781, 7-Bromo-1-methyl-1,2,3,4-tetrahydro-isoquinoline, Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-1-methyl-

Molecular Formula:	C₁₀H₁₂BrN	Molecular Weight:	226.117 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XACRZPKKWVBSHB-UHFFFAOYSA-N

• 8-Bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

IUPAC Name: 8-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine | CAS Registry Number: 54230-90-9
Synonyms: 8-BROMO-3-METHYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, SureCN1155698, PB15189, KB-250263

Molecular Formula:	C₇H₆BrN₃	Molecular Weight:	212.046640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DWOFCCIXSLDUSD-UHFFFAOYSA-N

• 8-Bromo-4-(2-hydroxy-ethyl)-5-methoxy-1H-quinolin-2-one

IUPAC Name: 8-bromo-4-(2-hydroxyethyl)-5-methoxy-1H-quinolin-2-one | CAS Registry Number: 1155270-68-0
Synonyms: SureCN137119, KB-250266, 8-bromo-4-(2-hydroxyethyl)-5-methoxyquinolin-2(1h)-one

Molecular Formula:	C₁₂H₁₂BrNO₃	Molecular Weight:	298.132580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZMPHTSPMQRXDRE-UHFFFAOYSA-N

• 1-Azetidineethanol

IUPAC Name: 2-(azetidin-1-yl)ethanol | CAS Registry Number: 67896-18-8
Synonyms: 2-(Azetidin-1-yl)ethanol, SureCN378213, CTK5C6875, N-(2-HYDROXYETHYL)AZETIDINE, AKOS006331671, AG-G-57883, QC-3606, AK116274, KB-223645

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZVZDSUOAJCQVDF-UHFFFAOYSA-N

• 3-Bromoimidazo[1,2-a]pyridine

IUPAC Name: 3-bromoimidazo[1,2-a]pyridine | CAS Registry Number: 4926-47-0
Synonyms: NSC305197, CID327951, ZINC00159031, GL-0098, 10X-0880

Molecular Formula:	C₇H₅BrN₂	Molecular Weight:	197.032000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: APYSHMNJHJRIDR-UHFFFAOYSA-N

• 1-Azaindolizine

IUPAC Name: imidazo[1,2-a]pyridine | CAS Registry Number: 274-76-0
Synonyms: Imidazo[1,2-a]pyridine, Imidazo(1,2-a)pyridine, 275778_ALDRICH, ZINC00409233, CID78960

Molecular Formula:	C₇H₆N₂	Molecular Weight:	118.135940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UTCSSFWDNNEEBH-UHFFFAOYSA-N

• (S)-N-Boc-2,2-dimethyloxazolindine-4-carboxylic acid methyl ester

IUPAC Name: 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate | CAS Registry Number: 157604-46-1
Synonyms: 3-tert-Butyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylate, PubChem5661, AC1NOHVO, SureCN313996, AC1Q43YF, ACMC-2098z0, CTK8C4635, MolPort-005-314-069, ANW-72585, AKOS016007680, AK-33481, KB-28432, EN300-88561, 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate, 3-tert-butyl 4-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate, 3,4-Oxazolidinedicarboxylic acid,2,2-dimethyl-,3-(1,1-dimethylethyl) 4-methyl ester, Methyl (4R)-(+)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate, N-BOC protected, Methyl (4R)-(+)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate, N-BOC protected 99%

Molecular Formula:	C₁₂H₂₁NO₅	Molecular Weight:	259.298840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: ZNBUXTFASGDVCL-UHFFFAOYSA-N

• 4-Chloro-7-azaindole

IUPAC Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 55052-28-3
Synonyms: 4-CHLORO-7-AZAINDOLE, 4-chloro-1H-pyrrolo[2,3-b]pyridine, AG-F-92201, 1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-, AN-584/43416898, PubChem17277, AC1Q3HXF, AC1Q3HXG, ACMC-1AY8O, SureCN100651, 4-CHLORO-7-AZAINDOL, KSC494A8L, AGN-PC-0084ST, 4-chloropyrrolo[2,3-b]pyridine, CTK3J4085, HIN1337, MolPort-001-758-292, ACN-S002668, ACT03614, 4-chlor-1H-pyrrolo[2,3-b]pyridin

Molecular Formula:	C₇H₅ClN₂	Molecular Weight:	152.581000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HNTZVGMWXCFCTA-UHFFFAOYSA-N

• 2-Chlorobenzoxazole

IUPAC Name: 2-chloro-1,3-benzoxazole | CAS Registry Number: 615-18-9
Synonyms: BENZOXAZOLE, 2-CHLORO-, NSC8439, 274089_ALDRICH, WLN: T56 BN DOJ CG, NSC 8439, EINECS 210-414-5, CID11986, BRN 0115982, ZINC00404788, LS-42157, ST5209073, 2-27-00-00017 (Beilstein Handbook Reference), InChI=1/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4

Molecular Formula:	C₇H₄ClNO	Molecular Weight:	153.565760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BBVQDWDBTWSGHQ-UHFFFAOYSA-N

• 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion

IUPAC Name: 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione | CAS Registry Number: 65996-50-1
Synonyms: 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 1,5-Dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione, 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dione, PubChem15838, AC1LC0AD, Pyrolo[3,2-d]pyrimidin-2,4(1H,3H)-dione, SureCN1460186, SureCN3259988, SureCN4840039, KSC352O9B, CTK2F2790, MolPort-009-197-378, ACN-P000747, WTI-11109, AKOS006284714, AKOS015854489, AG-L-25448, 5H-Pyrrolo[3,2-d]pyrimidine-2,4-diol, AK-28176, BR-28176

Molecular Formula:	C₆H₅N₃O₂	Molecular Weight:	151.122800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: BSRITDQWGPSXPQ-UHFFFAOYSA-N