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• 1,2-Benzisoxazole-3-Methanesulfonic Acid Sodium Salt

IUPAC Name: sodium;1,2-benzoxazol-3-ylmethanesulfonate | CAS Registry Number: 73101-64-1
Synonyms: 1,2-BENZISOXAZOLE-3-METHANESULFONIC ACID SODIUM SALT, Sodium Benzo[d]isoxazol-3-ylmethanesulfonate, UNII-61MWM0KQ3O, CTK8B8512, ANW-60534, FD7205, AKOS015895591, AKOS016003171, RP28166, AK-94063, KB-10046, P157, Zonisamide related compound A sodium salt, sodium 1,2-benzoxazol-3-ylmethanesulfonate, 1,2-Benzisoxazole-3-methanesulfonate sodium, FT-0601822, Sodium 1,2-benzisoxazole-3-methanesulfonate, ST51052906, 1,2-benzisoxazole-3-methanesulfonic acid sodium, 1,2-Benzisoxazole-3-methanesulfonate Sodium Salt

Molecular Formula:	C₈H₆NNaO₄S	Molecular Weight:	235.192309 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: QILCHBOPDIODSB-UHFFFAOYSA-M

• 4-(Phenylmethyl)-2-Morpholineacetic Acid

IUPAC Name: 2-[(2S)-4-benzylmorpholin-4-ium-2-yl]acetate | CAS Registry Number: 146944-27-6
Synonyms: ZINC04202806

Molecular Formula:	C₁₃H₁₇NO₃	Molecular Weight:	235.278980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZYXIOXNUKBMPQJ-LBPRGKRZSA-N

• 2(1H)-Quinolinone, 5-Acetyl-8-Hydroxy-

IUPAC Name: 5-acetyl-8-hydroxy-1H-quinolin-2-one | CAS Registry Number: 62978-73-8
Synonyms: 5-Acetyl-quinoline-2,8-diol, 5-acetyl-8-hydroxy-1H-quinolin-2-one, SureCN99398, acetylhydroxydihydroquinolinone, CTK5B6900, MolPort-002-499-661, ZINC12647871, AKOS015991345, AG-G-32356, MCULE-9247918426, RP11848, 5-Acetyl-8-hydroxyquinolin-2(1H)-one, 1-(2,8-dihydroxyquinolin-5-yl)ethanone, 2(1H)-Quinolinone,5-acetyl-8-hydroxy-, AK-35922, KB-196554, FT-0647962, A-2603, A13896, 5-Acetyl-1,2-dihydro-8-hydroxy-2-oxoquinoline

Molecular Formula:	C₁₁H₉NO₃	Molecular Weight:	203.194060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PJVZAXRWCFBQFH-UHFFFAOYSA-N

• 4-Amino-5-formyl-2-methylpyrimidine

IUPAC Name: 4-amino-2-methylpyrimidine-5-carbaldehyde | CAS Registry Number: 73-68-7
Synonyms: 4-AMINO-2-METHYLPYRIMIDINE-5-CARBALDEHYDE, 4-AMINO-5-FORMYL-2-METHYLPYRIMIDINE, 5-Pyrimidinecarboxaldehyde, 4-amino-2-methyl- (6CI,7CI,8CI,9CI), AGN-PC-00K0RF, CTK2H5569, MolPort-001-790-313, AKOS002676257, AB53802, AG-G-91698, RP01123, AK-47119, KB-72012, 4-amino-2-methyl-5-Pyrimidinecarbaldehyde, 2-METHYL-4-AMINO-5-FORMYLPYRIMIDINE, 4-amino-2-methyl-5-Pyrimidinecarboxaldehyde, FT-0687518, Y9951, EN300-77770, 5-Pyrimidinecarboxaldehyde, 4-amino-2-methyl-, C-2066

Molecular Formula:	C₆H₇N₃O	Molecular Weight:	137.139280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NOHYIPRJOCCNMG-UHFFFAOYSA-N

• 2-Thiopheneethylamine

IUPAC Name: 2-thiophen-2-ylethanamine | CAS Registry Number: 30433-91-1
Synonyms: Thiopheneethanamine, Thiopheneethylamine, Thiophene-1-ethylamine, Thiophene-2-ethylamine, 2-(2-Thienyl)ethylamine, .beta.-2-Thienylethylamine, 423270_ALDRICH, EINECS 264-646-7, ZERO/005227, ZERO/005760, EINECS 250-196-9, LS-153085, TL8002346, 64059-34-3

Molecular Formula:	C₆H₉NS	Molecular Weight:	127.207360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HVLUYXIJZLDNIS-UHFFFAOYSA-N

• 4-(Hydroxymethyl)benzoic acid

IUPAC Name: 4-(hydroxymethyl)benzoic acid | CAS Registry Number: 3006-96-0
Synonyms: 4-methylolbenzoic acid, Enamine_005867, 382639_ALDRICH, 55616_FLUKA, Benzoic acid, 4-(hydroxymethyl)-, BTB 13819, IDI1_008102, SR-01000639214-1

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WWYFPDXEIFBNKE-UHFFFAOYSA-N

• 2-Pyrimidinecarboxylic acid

IUPAC Name: pyrimidine-2-carboxylic acid | CAS Registry Number: 31519-62-7
Synonyms: Pyrimidine-2-carboxylic acid, 2-Carboxypyrimidine, 2-Carboxy-1,3-diazine, 2-Pyrimidinecarboxylicacid, AG-F-05123, F2145-0274, 2-carboxy-Pyrimidine, PubChem9603, Pyrimidinecarboxylic acid, pyrimidine carboxylic acid, PYRIMIDINECARBOXYLIC, ACMC-209hn8, SureCN108190, SureCN2643209, KSC185M1B, Jsp005880, CTK0I5610, MolPort-000-006-278, ACN-S004120, ACT08588

Molecular Formula:	C₅H₄N₂O₂	Molecular Weight:	124.097460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZFCHNZDUMIOWFV-UHFFFAOYSA-N

• 4-phenylpyrrolidin-2-one

IUPAC Name: 4-phenylpyrrolidin-2-one | CAS Registry Number: 1198-97-6
Synonyms: Phenylpyrrolidone, 4-Phenylpyrrolidone-2, 4-Phenyl-2-pyrrolidinone, 2-Pyrrolidinone, 4-phenyl-, ChemDiv2_001857, 4-Phenyl-pyrrolidin-2-one, MLS000762405, CID121397, STK006864, SMR000437921, LS-138961

Molecular Formula:	C₁₀H₁₁NO	Molecular Weight:	161.200440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HOJZEMQCQRPLQQ-UHFFFAOYSA-N

• 4-Quinolinol, 7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-

IUPAC Name: 7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one | CAS Registry Number: 923289-21-8
Synonyms: 2-(4-ISOPROPYLTHIAZOL-2-YL)-7-METHOXY-8-METHYLQUINOLIN-4-OL, PubChem19246, SureCN313693, SureCN2381992, CTK8B8043, ANW-59257, FD7118, AKOS015904550, AK-40862, KB-72931, AM20120660, FT-0688435, X6113, A844199, I14-17149, 7-Methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinol, 4-Quinolinol,7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-, 7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one, 7-methoxy-8-methyl-2-(4-propan-2-yl-2-thiazolyl)-1H-quinolin-4-one

Molecular Formula:	C₁₇H₁₈N₂O₂S	Molecular Weight:	314.402020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: LPPRPUJPNUYIKH-UHFFFAOYSA-N

• 4-Pyrimidinamine, 5-fluoro-

IUPAC Name: 5-fluoropyrimidin-4-amine | CAS Registry Number: 811450-26-7
Synonyms: 5-fluoropyrimidin-4-amine, 5-FLUORO-PYRIMIDIN-4-YLAMINE, AG-H-26071, AC1MQLND, 5-fluoro-4-pyrimidinamine, SureCN2417749, 4-Pyrimidinamine,5-fluoro-, 5-fluoranylpyrimidin-4-amine, CTK5E8501, MolPort-009-199-362, ANW-44955, AKOS015855608, 4-Amino-5-fluoro-2(1H)-pyrimidine;, QC-7140, RP19092, AK-31818, AM101307, KB-43316, FT-0687519, Y5108

Molecular Formula:	C₄H₄FN₃	Molecular Weight:	113.093063 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PKZMNMQCFNJXEH-UHFFFAOYSA-N

• 4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, methyl ester, (2S,4E)-

IUPAC Name: methyl (2S)-5-chloro-2-propan-2-ylpent-4-enoate | CAS Registry Number: 387353-77-7
Synonyms: (S,E)-Methyl 5-chloro-2-isopropylpent-4-enoate, CTK8B9237, ANW-62251

Molecular Formula:	C₉H₁₅ClO₂	Molecular Weight:	190.667200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BHFJTVFRXXWPLV-QMMMGPOBSA-N

• 2-Methoxy-4-Methylbenzoic Acid

IUPAC Name: 2-methoxy-4-methylbenzoic acid | CAS Registry Number: 704-45-0
Synonyms: 2-Methoxy-4-methylbenzoic acid, 638684_ALDRICH, AKL-PFB-018913, CID597164

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SOWDWUPMHVDZGL-UHFFFAOYSA-N

• 2-Thiopheneacetic acid, a-amino-,(aR)-

IUPAC Name: 2-amino-2-thiophen-2-ylacetic acid | CAS Registry Number: 65058-23-3
Synonyms: (R)-2-Thienylglycine, (S)-2-Thienylglycine, (-)-2-Thienylglycine, alpha-(2-Thienyl)glycine, DL-2-(2-Thienyl)glycine, Amino(2-thienyl)acetic acid, 188808_ALDRICH, DL-alpha-Amino-2-thienylacetic acid, EINECS 223-758-6, EINECS 244-225-4, EINECS 256-134-7, EINECS 265-330-1, DL-alpha-Amino-2-thiopheneacetic acid, 4L-313S, (-)-alpha-Amino-2-thiopheneacetic acid, 2-Thiopheneacetic acid, alpha-amino-, (-)-, 2-Thiopheneacetic acid, .alpha.-amino-, (.+/-.)-, 21124-40-3, 4052-59-9, 43189-45-3

Molecular Formula:	C₆H₇NO₂S	Molecular Weight:	157.190280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XLMSKXASROPJNG-UHFFFAOYSA-N

• 2-Amino-4,5-Dimethoxy-Benzoic Acid

IUPAC Name: 2-amino-4,5-dimethoxybenzoic acid | CAS Registry Number: 5653-40-7
Synonyms: 6-Aminoveratric acid, 2-Amino-4,5-dimethoxybenzoic acid, 4,5-Dimethoxyanthranilic acid, 252042_ALDRICH, EINECS 227-095-3, SBB007800, FR-0358, Benzoic acid, 2-amino-4,5-dimethoxy-, TL8003658, InChI=1/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12

Molecular Formula:	C₉H₁₁NO₄	Molecular Weight:	197.187940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: HJVAVGOPTDJYOJ-UHFFFAOYSA-N

• 4-Amino-6-MethoxyPyrimidine

IUPAC Name: 2-methoxypyrimidin-4-amine | CAS Registry Number: 3289-47-2
Synonyms: O-2-Methylcytosine, O(2)Medc, Enamine_000557, 2-Methoxy-4-pyrimidinamine, 4-Amino-2-methoxypyrimidine, 2-Methoxy-pyrimidin-4-ylamine, 4-Pyrimidinamine, 2-methoxy-, Pyrimidine, 4-amino-2-methoxy-, ZINC00347124, CID160679, BAS 00117044, T0503-8039

Molecular Formula:	C₅H₇N₃O	Molecular Weight:	125.128580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: DHYLZDVDOQLEAQ-UHFFFAOYSA-N

• 4-hydroxy-pyrimidine-5-carboxylic Acid Ethyl Ester

IUPAC Name: ethyl 6-oxo-1H-pyrimidine-5-carboxylate | CAS Registry Number: 4786-52-1
Synonyms: NCIOpen2_000533, Ethyl 4-hydroxy-5-pyrimidinecarboxylate, NSC69216, WLN: T6N CNJ DQ EVO2, NSC 69216, CID96347, 5-Pyrimidinecarboxylic acid, 4-hydroxy-, ethyl ester, LS-134862, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester (9CI)

Molecular Formula:	C₇H₈N₂O₃	Molecular Weight:	168.150020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PLMIZYMXBHSARX-UHFFFAOYSA-N

• 2-Chloro-3-Nitro-5-Bromo Pyridine

IUPAC Name: 5-bromo-2-chloro-3-nitropyridine | CAS Registry Number: 67443-38-3
Synonyms: ZINC02559366, 2-Chloro-3-nitro-5-bromopyridine, 5-Bromo-2-chloro-3-nitro-pyridine, CID7019412, FS001008, TL8004751

Molecular Formula:	C₅H₂BrClN₂O₂	Molecular Weight:	237.438580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WWQQPSDIIVXFOX-UHFFFAOYSA-N

• 4-Amino-6-chloro-2-methylpyrimidine

IUPAC Name: 6-chloro-2-methylpyrimidin-4-amine | CAS Registry Number: 1749-68-4
Synonyms: NSC145903, CID286754

Molecular Formula:	C₅H₆ClN₃	Molecular Weight:	143.574240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SSAYHQQUDKQNAC-UHFFFAOYSA-N

• 4-cyano-3-methylBenzoic acid

IUPAC Name: 4-cyano-3-methylbenzoic acid | CAS Registry Number: 73831-13-7
Synonyms: 4-cyano-3-methylbenzoic acid, 4-cyano-3-methyl-benzoic Acid, PubChem14420, SureCN996704, CTK8B5676, MolPort-020-000-854, ANW-49557, SBB064839, AKOS015890316, LS00053, QC-9002, AK-54802, BR-54802, KB-38369, FT-0653356, X8066, A837939, I01-6031

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LTRYUAZFLOGRLJ-UHFFFAOYSA-N

• 3-isopropylbenzenesulfonyl chloride

IUPAC Name: 3-propan-2-ylbenzenesulfonyl chloride | CAS Registry Number: 71530-58-0
Synonyms: 3-isopropylbenzene-1-sulfonyl chloride, 3-(PROPAN-2-YL)BENZENE-1-SULFONYL CHLORIDE, PubChem10550, AGN-PC-001UMY, CTK5D4529, MolPort-008-155-626, ANW-67222, STL220977, 3-propan-2-ylbenzenesulfonyl chloride, AKOS005257110, AG-I-03281, MCULE-3784253618, 3-(propan-2-yl)benzenesulfonyl chloride, 3-ISOPROPYLBENZENSULFONYL CHLORIDE, AK-89816, KB-32387, FT-0687520, TL80074097, Benzenesulfonyl chloride, 3-(1-methylethyl)-, EN300-85930

Molecular Formula:	C₉H₁₁ClO₂S	Molecular Weight:	218.700440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZFVRVVPYKFLHAE-UHFFFAOYSA-N

• 5-Methylcytosine

IUPAC Name: 6-amino-5-methyl-1H-pyrimidin-2-one | CAS Registry Number: 554-01-8
Synonyms: Cytosine, 5-methyl-, 5-Methylcytosine (VAN), Cytosine, 5-methyl- (VAN), 2(1H)-Pyrimidinone, 4-amino-5-methyl-, EINECS 209-058-3, NSC 137776, NSC137776, SBB015075, ZINC00394712, Cytosine, 5-methyl- (VAN) (8CI), LS-184340, C02376, 2(1H)-Pyrimidinone, 4-amino-5-methyl- (9CI), 58366-64-6

Molecular Formula:	C₅H₇N₃O	Molecular Weight:	125.128580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: LRSASMSXMSNRBT-UHFFFAOYSA-N

• 1-N-Cbz-3-pyrrolidinone

IUPAC Name: benzyl 3-oxopyrrolidine-1-carboxylate | CAS Registry Number: 130312-02-6
Synonyms: 1-Cbz-3-pyrrolidinone, N-Cbz-3-Pyrrolidinone, benzyl 3-oxopyrrolidine-1-carboxylate, 1-cbz-3-pyrrolidone, 1-Z-3-Pyrrolidinone, N-Benzyloxycarbonyl-3-pyrrolidinone, 1-Carbobenzoxy-3-pyrrolidone, 1-Carbobenzyloxy-3-pyrrolidinone, benzyl-3-oxopyrrolidin-1-carboxylat, phenylmethyl 3-oxopyrrolidinecarboxylate, 1-[(Benzyloxy)carbonyl]-3-oxopyrrolidine, 1-BENZYLOXYCARBONYL-3-PYRROLIDINONE, 3-oxo-pyrrolidine-1-carboxylic acid benzyl ester, 3-Oxo-1-pyrrolidinecarboxylic acid, phenylmethyl ester, 1-Pyrrolidinecarboxylic acid, 3-oxo-, phenylmethyl ester, ZINC02585686, PubChem8349, AC1LBNVF, AC1Q6KTG, SureCN265902

Molecular Formula:	C₁₂H₁₃NO₃	Molecular Weight:	219.236520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LMHWEUQNJRXMCD-UHFFFAOYSA-N

• 3-Amino-3-IminoPropanoic Acid Ethyl Ester Hydrochloride

IUPAC Name: ethyl 3-amino-3-iminopropanoate hydrochloride | CAS Registry Number: 57508-48-2
Synonyms: AmbTiA22551, MolPort-000-000-307, A22551, 3-Amino-3-imino-propanoic acid, ethyl ester HCl

Molecular Formula:	C₅H₁₁ClN₂O₂	Molecular Weight:	166.606040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: VOHFLYOSVGWQOS-UHFFFAOYSA-N

• 4-Bromo-2-hydroxybenzaldehyde

IUPAC Name: 4-bromo-2-hydroxybenzaldehyde

Molecular Formula:	C₇H₅BrO₂	Molecular Weight:	201.017400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HXTWKHXDFATMSP-UHFFFAOYSA-N

• 3-Aminopyridine

IUPAC Name: pyridin-3-amine | CAS Registry Number: 462-08-8
Synonyms: 3-Pyridinamine, 3-AMINOPYRIDINE, 3-Pyridylamine, Amino-3 pyridine, beta-Aminopyridine, Pyridine, 3-amino-, pyridin-3-amine, pyridin-3-ylamine, .beta.-Aminopyridine, WLN: T6NJ CZ, A78209_ALDRICH, 09360_FLUKA, EINECS 207-322-2, NSC 15040, UN2671, AIDS021196, AIDS-021196, NSC15040, BRN 0105692, SBB004395

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N

• 4-Amino-1-Boc-piperidine-4-carboxylic acid

IUPAC Name: 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid | CAS Registry Number: 183673-71-4
Synonyms: 1-Boc-4-aminopiperidine-4-carboxylic Acid, 4-amino-1-boc-isonipecotic acid, h-pip(boc)-oh, 4-amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid, 4,4-acp(1-n-boc), 1-BOC-4-AMINO-4-PIPERIDINECARBOXYLIC ACID, 1-Boc-4-aminopiperidine-4-carboxylicacid, SBB028451, AG-E-33342, n-boc-4,4-aminopiperidinylcarboxylic acid, 1-boc-piperidine-4-amino-4-carboxylic acid, 1-t-boc-4-aminopiperidine-4-carboxylic acid, 4-amino-1-(boc)-4-piperidinecarboxylic acid, n-a-amino-n'-boc-piperidine-4-carboxylic acid, 4-amino-1-(tert-butoxycarbonyl)-4-piperidinecarboxylic acid, 4-amino-1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylic acid, 4-amino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester, Maybridge3_000003, 1-boc-pip-oh, AC1LEWUA

Molecular Formula:	C₁₁H₂₀N₂O₄	Molecular Weight:	244.287500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: YNHLVALLAURVJF-UHFFFAOYSA-N

• 2-Amino-2-methylpropane nitrile

IUPAC Name: 2-amino-2-methylpropanenitrile | CAS Registry Number: 19355-69-2
Synonyms: 2-Aminoisobutyronitrile, 2-Cyanoisopropylamine, Vazo 64AN, Aminodimethylacetonitrile, alpha-Aminoisobutyronitrile, 2-Amino-2-methylpropanenitrile, 2-Amino-2-methylpropiononitrile, .alpha.-Aminoisobutyronitrile, Propanenitrile, 2-amino-2-methyl-, Propionitrile, 2-amino-2-methyl-, EINECS 242-989-3, LS-120848, ST5101636, Propionitrile, 2-amino-2-methyl- (6CI,7CI,8CI)

Molecular Formula:	C₄H₈N₂	Molecular Weight:	84.119720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JQULXIOYDDCNGR-UHFFFAOYSA-N

• 2-Aminomethyl-4-Boc-Morpholine

IUPAC Name: [(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methylazanium | CAS Registry Number: 140645-53-0
Synonyms: ZINC04203216

Molecular Formula:	C₁₀H₂₁N₂O₃+	Molecular Weight:	217.285340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MTMBHUYOIZWQAJ-QMMMGPOBSA-O

• 4-Boc-3(S)-morpholinecarboxylic acid

IUPAC Name: (3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid | CAS Registry Number: 783350-37-8
Synonyms: (S)-N-Boc-morpholine-3-carboxylic acid, (s)-4-boc-morpholine-3-carboxylic acid, (S)-Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester, (s)-4-n-boc-3-morpholinecarboxylic acid, n-boc-morpoline[(3s)-cooh], (s)-4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid, AG-H-14423, 4-(tert-butoxycarbonyl)morpholine-3-(s)-carboxylic acid, 4-boc-3(s)-morpholine carboxylic acid, (s)-n-t-butyloxycarbonyl-morpholine-3-carboxylic acid, (3S)-4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acid, N-Boc-morpholine-3-carboxylicacid, PubChem16868, PubChem19856, AC1LTQC8, BOC-S-MO3C-OH, SureCN185522, AC1Q1N7D, CTK5E5700, MolPort-000-001-540

Molecular Formula:	C₁₀H₁₇NO₅	Molecular Weight:	231.245680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: KVXXEKIGMOEPSA-ZETCQYMHSA-N

• 5-Acetyl-2-Methylpyridine

IUPAC Name: 1-(6-methylpyridin-3-yl)ethanone | CAS Registry Number: 36357-38-7
Synonyms: 5-Acetyl-2-methylpyridine, 5-Acetyl-2-picoline, 2-Methyl-5-acetylpyridine, NSC27972, 1-(6-Methyl-3-pyridyl)-1-ethanone, CID95292, EINECS 252-995-8, Ethanone, 1-(6-methyl-3-pyridinyl)-, NSC 27972, ZINC01641743, 1-(6-Methylpyridin-3-yl)ethan-1-one, TL8002681

Molecular Formula:	C₈H₉NO	Molecular Weight:	135.163160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PVRYOKQFLBSILA-UHFFFAOYSA-N

• (S)-(+)-2-Fluoro-α-Methyl-4-Biphenylacetic Acid

IUPAC Name: (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid | CAS Registry Number: 51543-39-6
Synonyms: flurbiprofen, Esflurbiprofene, Esflurbiprofeno, Tarenflurbil, Esflurbiprofenum, Esflurbiprofene [French], Esflurbiprofenum [Latin], UNII-J5ZZK9P7MX, (S)-(+)-Flurbiprofen, Esflurbiprofeno [Spanish], MLS001066337, MLS001333207, MLS001333208, 482641_ALDRICH, CHEBI:42446, CID72099, EINECS 257-263-1, NCI60_030810, NCI60_030811, SMR000471846

Molecular Formula:	C₁₅H₁₃FO₂	Molecular Weight:	244.260923 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SYTBZMRGLBWNTM-JTQLQIEISA-N

• 4,6(1H,5H)-PYRIMIDINEDIONE,5-BROMO-

IUPAC Name: 5-bromo-1H-pyrimidine-4,6-dione | CAS Registry Number: 52176-13-3
Synonyms: EINECS 257-703-2, 5-Bromo-4,6-dihydroxypyrimidine, CID103598, 5-Bromo-1H,5H-pyrimidine-4,6-dione, 4,6(1H,5H)-Pyrimidinedione, 5-bromo-

Molecular Formula:	C₄H₃BrN₂O₂	Molecular Weight:	190.982820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SGJYMNDTJKWWFN-UHFFFAOYSA-N

• 4-HYDROXYMETHYLBENZOIC ACID

IUPAC Name: 4-(hydroxymethyl)benzoic acid | CAS Registry Number: 96937-45-0
Synonyms: HMBA Linker;, Enamine_005867, 4-methylolbenzoic acid, 4-(Hydroxymethyl)benzoic acid, 4-Hydroxythylbenzoic acid, 382639_ALDRICH, Jsp005686, 55616_FLUKA, MolPort-002-462-101, Benzoic acid, 4-(hydroxymethyl)-, HMS1410K15, CID76360, BTB 13819, AC-3060, IDI1_008102, H0769, I01-3587, SR-01000639214-1, 3006-96-0

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WWYFPDXEIFBNKE-UHFFFAOYSA-N

• 2-cyclopentylethanamine hydrochloride

IUPAC Name: 2-cyclopentylethanamine;hydrochloride | CAS Registry Number: 684221-26-9
Synonyms: AC1Q3DB4, SureCN1915914, CTK7E7560, MolPort-005-312-656, 2-CYCLOPENTYLETHANAMINE HCL, Cyclopentaneethanamine hydrochloride, 2-Cyclopentyl-ethylamine hydrochloride, AKOS016015034, AG-B-90823, MCULE-4452900288, 2-cyclopentylethan-1-amine hydrochloride, AK-84118, KB-49293, EN300-39155, T6260525, F9995-2571

Molecular Formula:	C₇H₁₆ClN	Molecular Weight:	149.661640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: PSWQBGNJVWDEOE-UHFFFAOYSA-N

• 4,5,6,7-Tetrahydro-[3,2,-c]Thieno Pyridine

IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine | CAS Registry Number: 54903-50-3
Synonyms: EINECS 259-389-2, 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine, AS0127, CID3085076, 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine, TL8003594

Molecular Formula:	C₇H₉NS	Molecular Weight:	139.218060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N

• 1-(1,2,3,5-Tetrahydro-benzo[e][1,4]diazepin-4-yl)-ethanone

IUPAC Name: 1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone | CAS Registry Number: 57756-36-2
Synonyms: 4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine, SBB056319, AG-G-03999, 1H-1,4-Benzodiazepine, 4-acetyl-2,3,4,5-tetrahydro, SureCN379244, BEN207, CTK5A7377, MolPort-005-942-896, AGN-PC-009229, AC-007, ANW-57830, ZINC22013219, AKOS006331477, MB07527, AK-35718, EN001261, KB-36146, FT-0649010, A831581, I14-7830

Molecular Formula:	C₁₁H₁₄N₂O	Molecular Weight:	190.241660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MXBURCRAYKPWBR-UHFFFAOYSA-N

• 1,1,4,4,6-Pentamethyl-1,2,3,4-Tetrahydronaphthalene

IUPAC Name: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene | CAS Registry Number: 6683-48-3
Synonyms: EINECS 229-724-7, CID81187, TL 00839, 1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene

Molecular Formula:	C₁₅H₂₂	Molecular Weight:	202.335180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: AISXBZVAYNUAKB-UHFFFAOYSA-N

• 4-Aminopyrimidine

IUPAC Name: pyrimidin-4-amine | CAS Registry Number: 591-54-8
Synonyms: 4-Pyrimidinamine, pyrimidin-4-amine, Pyrimidine, 4-amino-, 4-Pyrimidineamine, 6-Aminopyrimidine, Pyrimidin-4-ylamine, 4-Pyrimidinamine (9CI), WLN: T6N CNJ DZ, 261823_ALDRICH, CHEBI:38616, NSC401236, ZINC01593930, NSC 401236, PB316171728, InChI=1/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7

Molecular Formula:	C₄H₅N₃	Molecular Weight:	95.102600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OYRRZWATULMEPF-UHFFFAOYSA-N

• 3-hydroxymethyl-pyrrolidine-1-carboxylic Acid Ter-butyl-ester

IUPAC Name: tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 114214-69-6
Synonyms: Ambad26, 3-Hydroxymethyl-1-Boc-pyrrolidine

Molecular Formula:	C₁₀H₁₉NO₃	Molecular Weight:	201.262760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HKIGXXRMJFUUKV-UHFFFAOYSA-N

• 3-Hydroxy-4-pyridinecarboxylic acid

IUPAC Name: 3-hydroxypyridine-4-carboxylate | CAS Registry Number: 10128-71-9
Synonyms: ZINC00334931, CID6946714

Molecular Formula:	C₆H₄NO₃-	Molecular Weight:	138.100860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JEHGATQUCUYHJL-UHFFFAOYSA-M

• 5-Amino-2-fluoropyridine

IUPAC Name: 6-fluoropyridin-3-amine | CAS Registry Number: 1827-27-6
Synonyms: 6-fluoropyridin-3-amine, 3-amino-6-fluoropyridine, 6-fluoro-3-pyridinamine, 2-fluoro-5-aminopyridine, 6-fluoro-3-pyridylamine, 6-Fluoro-3-pyridineamine, 2-Fluoro-5-Amino Pyridine, 6-fluoro-pyridin-3-ylamine, 6-fluorpyridin-3-amin, 6-FLUOROPYRIDINE-3-AMINE, 3-PYRIDINAMINE, 6-FLUORO-, AG-E-32526, AJ-333/36120022, ZINC00335086, PubChem1155, AC1LGDFJ, ACMC-209ejt, 2-Fluoropyridin-5-amine, 5-Amine-2-fluoropyridine, 2-fluoro pyridin-5-amine

Molecular Formula:	C₅H₅FN₂	Molecular Weight:	112.105003 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YTHMOBMZVVFNBE-UHFFFAOYSA-N

• 2-Hydroxy-3-trifluoromethylpyridine

IUPAC Name: 3-(trifluoromethyl)-1H-pyridin-2-one | CAS Registry Number: 22245-83-6
Synonyms: Maybridge1_006338, TPC-PY071, ZINC02526242, 2-Hydroxy-3-Trifluoromethylpyridine, 2-Hydroxy-3-Trifluoromethyl Pyridine, CID3678411, TL8001853, 3S102322

Molecular Formula:	C₆H₄F₃NO	Molecular Weight:	163.097270 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JHDCDEHVUADNKQ-UHFFFAOYSA-N

• 5-Pyrimidinemethanol, 4-amino-2-methyl-

IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methanol | CAS Registry Number: 73-67-6
Synonyms: Toxopyrimidine, pyramin, pyramine, Atoxopyrimidine, Pyrazan, Oxymethylpyrimidine, OMPM, Pyramine (VAN), Pyramin (VAN), hydroxymethylpyrimidine, nchembio.121-comp11, Oprea1_032125, Pyramine (thiamine metabolite), 4-amino-2-methyl-5-pyrimidinemethanol, 4-amino-5-hydroxymethyl-2-methylpyrimidine, NChemBio.2007.13-comp6, 2-M-4-A-5-Hmp, CHEBI:16892, NSC28247, NSC 28247

Molecular Formula:	C₆H₉N₃O	Molecular Weight:	139.155160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: VUTBELPREDJDDH-UHFFFAOYSA-N

• 4-(tert-Butoxycarbonyl)morpholine-2-Carboxylic Acid

IUPAC Name: (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate | CAS Registry Number: 189321-66-2
Synonyms: ZINC04203806

Molecular Formula:	C₁₀H₁₆NO₅-	Molecular Weight:	230.237740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: LGWMTRPJZFEWCX-SSDOTTSWSA-M

• 2-Bromo-2-(2-Fluorophenyl)-1-Cyclopropylethanone

IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide | CAS Registry Number: 204205-90-3
Synonyms: Indibulin, Indibulin [INN], UNII-80K4H2RB8P, ZERO/005632, CID2929, CHEBI:171256, MolPort-002-739-496, IN1366, ZINC01996564, d-24851, NCGC00160428-01, LS-82075, D 24851, N-(Pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glycoxylamide, N-(Pyridin-4-yl)-[1-(4-chlorobenzyl)-indol-3-yl]-glyoxyl Amide, 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide, 2-[1-(4-Chloro-benzyl)-1H-indol-3-yl]-2-oxo-N-pyridin-4-yl-acetamide

Molecular Formula:	C₂₂H₁₆ClN₃O₂	Molecular Weight:	389.834340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SOLIIYNRSAWTSQ-UHFFFAOYSA-N

• 4-Amino-6-Methoxy Pyrimidine

IUPAC Name: 6-methoxypyrimidin-4-amine | CAS Registry Number: 696-45-7
Synonyms: 4-Amino-6-methoxypyrimidine, 6-methoxy-4-pyrimidinamine, 6-methoxypyrimidin-4-ylamine, 6-Methoxy-pyrimidin-4-ylamine, 513245_ALDRICH, CID735731, SBB004268, ZINC00152324, BAS 06480322, SDCCGMLS-0065826.P001, TL8004890, AG-664/25098047

Molecular Formula:	C₅H₇N₃O	Molecular Weight:	125.128580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VELRBZDRGTVGGT-UHFFFAOYSA-N

• 3-Oxetanone

IUPAC Name: oxetan-3-one | CAS Registry Number: 6704-31-0
Synonyms: 3-oxetanone, Oxetan-3-one, 1,3-Epoxy-2-propanone, oxentan-3-on, 1,3-epoxypropanone, PubChem15880, 3-OXENTANONE, ACMC-209nxj, SureCN17043, AGN-PC-003EBP, KSC358E8N, 1,3-epoxy-2-propan-2-one, 6704-31-0 3-Oxetanone, CTK2F8286, 6704-31-0 Oxetan-3-one, BH265, HT117, QC-27, ACT06617, ANW-35285

Molecular Formula:	C₃H₄O₂	Molecular Weight:	72.062660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ROADCYAOHVSOLQ-UHFFFAOYSA-N

• 4-Pyrimidinecarboxylic Acid, 1,6-Dihydro-5-Hydroxy-2-[1-Methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-Oxo-, Methyl Ester

IUPAC Name: methyl 5-hydroxy-4-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1H-pyrimidine-6-carboxylate | CAS Registry Number: 519032-08-7
Synonyms: methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate, SBB053953, Methyl 2-(1-{[(Benzyloxy)carbonyl]amino}-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate, methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate, 4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, methyl ester, ACMC-209yz0, SureCN1150858, SureCN8267930, CTK6J1208, MolPort-003-986-921, MolPort-016-578-992, ANW-49594, ZINC21299554, AKOS015839286, AKOS015899186, RP16986, AK-40686, BR-40686, AB1008488, KB-202647

Molecular Formula:	C₁₇H₁₉N₃O₆	Molecular Weight:	361.349260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: NIVUTAZNLHLBAN-UHFFFAOYSA-N

• 5-Bromo-2,2'-Bipyridine

IUPAC Name: 5-bromo-2-pyridin-2-ylpyridine | CAS Registry Number: 15862-19-8
Synonyms: 5-BROMO-2,2'-BIPYRIDINE, AG-E-07799, SureCN40547, 2,2'-Bipyridine,5-bromo-, 5-Bromo-[2,2']bipyridinyl, CTK4C9758, AKOS015899554, QC-4870, AK122074, KB-196962, FT-0687521, I14-11071, 2-(2-Pyridyl)-5-bromopyridine;5-Bromo-2,2'-bipyridine; 5-Bromo-2,2'-bipyridyl

Molecular Formula:	C₁₀H₇BrN₂	Molecular Weight:	235.079980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AWJPULCSDFBFDR-UHFFFAOYSA-N

• 3-TERT-BUTYLBENZENESULFONYL CHLORIDE (CAS: 2905-20-2)