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Multi-stage training data/Stage III- EXP/EB/test_ir.pt

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Multi-stage training data/Stage III- EXP/EB/train_ir.pt

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Multi-stage training data/Stage III- EXP/EB/val_ir.pt

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Multi-stage training data/Stage III- EXP/EB/val_labels_enriched_for_verification.txt

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+NIST	C877952_IR_0.jdx	877-95-2	NO	NO	None
+NIST	C619647_IR_0.jdx	619-64-7	NO	NO	None
+NIST	C119153_IR_0.jdx	119-15-3	NO	NO	None
+ENFSI	#1030v - Eutylone HCl.jdx	Eutylone	NO	YES	CCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC
+ENFSI	#3429n - Eutylone HCl.jdx	Eutylone	NO	YES	CCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC
+SWGDRUG	#609 - Eutylone HCl (Lot #0433752-19).JDX	Eutylone	NO	YES	CCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC
+SWGDRUG	#670 - Eutylone HCl   (Lot #0571764-5).JDX	Eutylone	NO	YES	CCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC
+ENFSI	#4512n - ADB-HEXINACA.jdx	ADB-HEXINACA	NO	NO	None
+ENFSI	#4657n - ADB-HEXINACA.jdx	ADB-HEXINACA	NO	NO	None
+NIST	C98782060_IR_0.jdx	N-(1,3-benzothiazol-2-yl)-N-(2-([2-(1,3-benzothiazol-2-ylamino)ethyl]disulfanyl)ethyl)amine	YES	NO	None
+NIST	C94882_IR_0.jdx	94-88-2	NO	NO	None
+NIST	C52111190_IR_0.jdx	diethyl 2-amino-1-methyl-2-oxoethylphosphonate	YES	NO	None
+NIST	C5334305_IR_0.jdx	5334-30-5	NO	NO	None
+SWGDRUG	#378 - Quetiapine hemifumarate (Lot #SER4759).JDX	Quetiapine hemifumarate	NO	NO	None
+NIST	B6010444_IR_0.jdx	4-PYRIMIDINEACETIC ACID, 6-AMINO-2-CHLORO-5-NITRO-, ETHYL ESTER	NO	NO	None
+NIST	C61859845_IR_0.jdx	61859-84-5	NO	NO	None
+NIST	C1124136_IR_0.jdx	1124-13-6	NO	NO	None
+NIST	C2257354_IR_0.jdx	2257-35-4	NO	NO	None
+NIST	C28466219_IR_0.jdx	28466-21-9	NO	NO	None
+NIST	C701473_IR_0.jdx	701-47-3	NO	NO	None
+NIST	C3115682_IR_0.jdx	3115-68-2	NO	NO	None
+ENFSI	#2135n - Amphetamin Oxalat.jdx	Amphetamin Oxalat	YES	NO	None
+NIST	C1014819_IR_0.jdx	1014-81-9	NO	NO	None
+ENFSI	#1698n - 3,4-DMA base.jdx	3,4-DMA	NO	NO	None
+NIST	C7439023_IR_0.jdx	7439-02-3	NO	NO	None
+NIST	C90142_IR_0.jdx	90-14-2	NO	NO	None
+NIST	C90142_IR_1.jdx	90-14-2	NO	NO	None
+NIST	C571982_IR_0.jdx	571-98-2	NO	NO	None
+NIST	B6009940_IR_0.jdx	7H-PYRROLO[2,3-d]PYRIMIDINE, 4-AMINO-7-[3-(HYDROXYMETHYL)CYCLOPENTYL]-	NO	NO	None
+NIST	C46192249_IR_0.jdx	5-[(1E)-3,3-dimethyl-1-triazenyl]-1H-1,2,3-triazole-4-carboxamide	YES	NO	None
+NIST	B6005973_IR_0.jdx	OCTANOIC ACID, LITHIUM SALT	NO	NO	None
+ENFSI	#3474n - AP-237 base.jdx	AP-237	NO	NO	None
+ENFSI	#3476n - AP-237.jdx	AP-237	NO	NO	None
+NIST	C644906_IR_0.jdx	644-90-6	NO	NO	None
+ENFSI	#4396n - BOH-2C-B base.jdx	BOH-2C-B	NO	NO	None
+ENFSI	#4397n - BOH-2C-B base.jdx	BOH-2C-B	NO	NO	None
+NIST	C1200675_IR_0.jdx	1200-67-5	NO	NO	None
+NIST	C832531_IR_0.jdx	832-53-1	NO	NO	None
+NIST	C375075_IR_0.jdx	375-07-5	NO	NO	None
+NIST	C22781233_IR_0.jdx	22781-23-3	NO	NO	None
+NIST	C36157401_IR_0.jdx	36157-40-1	NO	NO	None
+NIST	C36157401_IR_1.jdx	36157-40-1	NO	NO	None
+ENFSI	#1817n - 25E-NBOMe base.jdx	25E-NBOMe	NO	NO	None
+ENFSI	#2444n - 25E-NBOMe base.jdx	25E-NBOMe	NO	NO	None
+NIST	C21721788_IR_0.jdx	21721-78-8	NO	NO	None
+NIST	C40702269_IR_0.jdx	40702-26-9	NO	NO	None
+NIST	C7151033_IR_0.jdx	7151-03-3	NO	NO	None
+NIST	C54454125_IR_0.jdx	54454-12-5	NO	NO	None
+NIST	C1486926_IR_0.jdx	3-(dimethylamino)-2,2,4,4-tetramethylcyclobutanol	YES	NO	None
+NIST	C3234284_IR_0.jdx	3234-28-4	NO	NO	None
+ENFSI	#2397n - HMA HCl.jdx	HMA	NO	YES	C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N
+ENFSI	#0769n - pFBT.jdx	pFBT	NO	NO	None
+NIST	C771620_IR_0.jdx	771-62-0	NO	NO	None
+NIST	C771620_IR_1.jdx	771-62-0	NO	NO	None
+NIST	C58012661_IR_0.jdx	58012-66-1	NO	NO	None
+NIST	B6005156_IR_0.jdx	CARAMIPHEN ETHANEDISULFONATE	NO	NO	None
+NIST	C19549725_IR_0.jdx	19549-72-5	NO	NO	None
+NIST	C539480_IR_0.jdx	539-48-0	NO	NO	None
+NIST	B6002726_IR_0.jdx	SODIUM CYANATE	NO	NO	None
+NIST	C1439072_IR_0.jdx	1439-07-2	NO	NO	None
+NIST	C17619975_IR_0.jdx	17619-97-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C628568_IR_0.jdx	628-56-8	NO	NO	None
+NIST	C107894440_IR_0.jdx	1-(3,4-dimethoxybenzyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline hydrochloride	YES	NO	None
+NIST	B6009282_IR_0.jdx	Benzanilide, N,4-di-tert-butyl-	NO	NO	None
+NIST	C583711_IR_0.jdx	583-71-1	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C725928_IR_0.jdx	725-92-8	NO	NO	None
+NIST	C112243_IR_0.jdx	112-24-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C2896675_IR_0.jdx	2896-67-5	NO	NO	None
+NIST	C638028_IR_0.jdx	638-02-8	NO	NO	None
+NIST	B6005247_IR_0.jdx	5Alpha-Cycloandrostan-17-one, 6Beta-p-nitrobenzamido-3Alpha-,	NO	NO	None
+NIST	C103064864_IR_0.jdx	N-(3a,5a-dimethyl-6-oxohexadecahydrocyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalen-10-yl)-4-nitrobenzamide	YES	NO	None
+ENFSI	#2362n - 25C-NBF base.jdx	25C-NBF	NO	NO	None
+NIST	C5966518_IR_0.jdx	5966-51-8	NO	NO	None
+NIST	C24815245_IR_0.jdx	24815-24-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C603714_IR_0.jdx	603-71-4	NO	NO	None
+NIST	C603714_IR_1.jdx	603-71-4	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C16805768_IR_0.jdx	O-methyl O-(2,4,5-trichlorophenyl) tert-butylamidothiophosphate	YES	NO	None
+SDBS	None	None	None	None	None
+NIST	C541162_IR_0.jdx	541-16-2	NO	NO	None
+NIST	C116659757_IR_0.jdx	N-methyl-N-phenyl-N-[3-(2-phenylethyl)-2-pyrazinyl]amine	YES	NO	None
+NIST	C931680_IR_0.jdx	931-68-0	NO	NO	None
+NIST	C38183129_IR_0.jdx	38183-12-9	NO	NO	None
+NIST	B6006687_IR_0.jdx	Phenethylguanidine, nitrate	NO	NO	None
+ENFSI	#0744n - 3-acetyl-morphine sulphate.jdx	3-acetyl-morphine sulphate	YES	NO	None
+NIST	C21432984_IR_0.jdx	21432-98-4	NO	NO	None
+NIST	C18636878_IR_0.jdx	18636-87-8	NO	NO	None
+NIST	C225616_IR_0.jdx	225-61-6	NO	NO	None
+ENFSI	#3241n - 3,3-dimethoxy-Estra-5,9-dien-17-ol.jdx	3,3-dimethoxy-Estra-5,9-dien-17-ol	YES	NO	None
+ENFSI	#3242n - 3,3-dimethoxy-Estra-5,9-dien-17-ol.jdx	3,3-dimethoxy-Estra-5,9-dien-17-ol	YES	NO	None
+ENFSI	#3243n - 3,3-dimethoxy-Estra-5,9-dien-17-ol.jdx	3,3-dimethoxy-Estra-5,9-dien-17-ol	YES	NO	None
+ENFSI	#3244n - 3,3-dimethoxy-Estra-5,9-dien-17-ol.jdx	3,3-dimethoxy-Estra-5,9-dien-17-ol	YES	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C538750_IR_0.jdx	538-75-0	NO	NO	None
+NIST	C538750_IR_1.jdx	538-75-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C3449283_IR_0.jdx	3449-28-3	NO	NO	None
+NIST	C120672_IR_0.jdx	120-67-2	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C86500_IR_0.jdx	86-50-0	NO	NO	None
+NIST	C116401822_IR_0.jdx	N,N'-bis[4-(dimethylamino)phenyl]phosphonic diamide	YES	NO	None
+NIST	C934009_IR_0.jdx	934-00-9	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C765140_IR_0.jdx	765-14-0	NO	NO	None
+NIST	C402448_IR_0.jdx	402-44-8	NO	NO	None
+NIST	B6009191_IR_0.jdx	AMMONIUM SAMARIUM OXALATE, HYDRATE	NO	NO	None
+NIST	C19153005_IR_0.jdx	19153-00-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C2010062_IR_0.jdx	2010-06-2	NO	NO	None
+NIST	C1733762_IR_0.jdx	1733-76-2	NO	NO	None
+NIST	C116401195_IR_0.jdx	O-(2,4-dichlorophenyl) diethylthiocarbamate	YES	NO	None
+NIST	C4097896_IR_0.jdx	4097-89-6	NO	NO	None
+NIST	C97999912_IR_0.jdx	8,9,10,11-tetrahydro-5H-naphtho[2',3':4,5]imidazo[1,2-a]azepine-5,13(7H)-dione	YES	NO	None
+NIST	C82830497_IR_0.jdx	82830-49-7	NO	NO	None
+NIST	C19780666_IR_0.jdx	19780-66-6	NO	NO	None
+NIST	C24248213_IR_0.jdx	24248-21-3	NO	NO	None
+NIST	C5598152_IR_0.jdx	5598-15-2	NO	NO	None
+NIST	C21911762_IR_0.jdx	21911-76-2	NO	NO	None
+NIST	C116660005_IR_0.jdx	(E)-(3-phenoxy-2-pyrazinyl)(phenyl)methanone phenylhydrazone	YES	NO	None
+NIST	B6009133_IR_0.jdx	10-[3-(1-METHYL-4-PIPERAZINYL)-2-METHYLPROPYL]-2-TRIFLUOROMETHYLPHENOTHIAZINE, DIHYDROCHLORIDE	NO	NO	None
+NIST	C1620140_IR_0.jdx	1620-14-0	NO	NO	None
+NIST	C39897104_IR_0.jdx	39897-10-4	NO	NO	None
+ENFSI	#2182n - Sildenafil citrate.jdx	Sildenafil citrate	NO	NO	None
+ENFSI	#3191n - Sildenafil citrate.jdx	Sildenafil citrate	NO	NO	None
+ENFSI	#3621n - Sildenafil citrate.jdx	Sildenafil citrate	NO	NO	None
+SWGDRUG	#363 - Sildenafil citrate (Lot #SF520A).JDX	Sildenafil citrate	NO	NO	None
+NIST	C103206231_IR_0.jdx	103206-23-1	NO	NO	None
+NIST	C27328865_IR_0.jdx	27328-86-5	NO	NO	None
+NIST	C61121_IR_0.jdx	61-12-1	NO	NO	None
+NIST	C36405171_IR_0.jdx	36405-17-1	NO	NO	None
+NIST	B6004617_IR_0.jdx	1,8-ANTHRAQUINONE SULFONIC ACID, DISODIUM SALT	NO	NO	None
+NIST	C5344978_IR_0.jdx	5344-97-8	NO	NO	None
+ENFSI	#3141n - Methasterone.jdx	Methasterone	NO	NO	None
+ENFSI	#4493n - 1V-LSD _ 1V-LAD.jdx	1V-LSD	NO	NO	None
+ENFSI	#4494n - 1V-LSD _ 1V-LAD base.jdx	1V-LSD	NO	NO	None
+ENFSI	#4495n - 1V-LSD _ 1V-LAD hemitartrate.jdx	1V-LSD	NO	NO	None
+NIST	C104723_IR_0.jdx	104-72-3	NO	NO	None
+NIST	C104723_IR_1.jdx	104-72-3	NO	NO	None
+NIST	C31221688_IR_0.jdx	31221-68-8	NO	NO	None
+NIST	C20781220_IR_0.jdx	20781-22-0	NO	NO	None
+NIST	C1866393_IR_0.jdx	1866-39-3	NO	NO	None
+SDBS	None	None	None	None	None
+SWGDRUG	#485 - Phenylethylamine HCl (Lot# 61H3899).JDX	Phenylethylamine	NO	YES	C1=CC=C(C=C1)CCN
+NIST	C127435_IR_0.jdx	127-43-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C16629199_IR_0.jdx	16629-19-9	NO	NO	None
+NIST	C16629199_IR_1.jdx	16629-19-9	NO	NO	None
+NIST	C51929556_IR_0.jdx	51929-55-6	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C3108245_IR_0.jdx	3108-24-5	NO	NO	None
+NIST	C485472_IR_0.jdx	485-47-2	NO	NO	None
+ENFSI	#1975n - JWH-019.jdx	JWH-019	NO	NO	None
+ENFSI	#2239n - JWH-019.jdx	JWH-019	NO	NO	None
+ENFSI	#2329n - JWH-019.jdx	JWH-019	NO	NO	None
+SWGDRUG	#135 - JWH-019 (Lot #K8H81106).JDX	JWH-019	NO	NO	None
+NIST	B6009881_IR_0.jdx	epi-Isopulegol (methyl axial)	NO	NO	None
+NIST	C7786676_IR_0.jdx	7786-67-6	NO	NO	None
+NIST	C89792_IR_0.jdx	89-79-2	NO	NO	None
+NIST	C96612214_IR_0.jdx	2-isopropenyl-5-methylcyclohexanol	NO	NO	None
+ENFSI	#1776n - JWH-018 indazole analogue _ THJ-018.jdx	THJ-018	NO	NO	None
+ENFSI	#1804n - JWH-018 indazole analogue _ THJ-018.jdx	THJ-018	NO	NO	None
+ENFSI	#2320n - JWH-018 indazole analogue _ THJ-018.jdx	THJ-018	NO	NO	None
+ENFSI	#2321n - JWH-018 indazole analogue _ THJ-018.jdx	THJ-018	NO	NO	None
+ENFSI	#3383n - THJ-018.jdx	THJ-018	NO	NO	None
+ENFSI	#3384n - THJ-018.jdx	THJ-018	NO	NO	None
+ENFSI	#3385n - THJ-018.jdx	THJ-018	NO	NO	None
+NIST	C2467132_IR_0.jdx	2467-13-2	NO	NO	None
+NIST	C28320436_IR_0.jdx	(5Z)-5-[(4-hydroxy-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)methylene]-2-thioxo-1,3-thiazolidin-4-one	YES	NO	None
+NIST	C19549849_IR_0.jdx	19549-84-9	NO	NO	None
+NIST	C126681_IR_0.jdx	126-68-1	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C10056301_IR_0.jdx	10056-30-1	NO	NO	None
+NIST	B6002290_IR_0.jdx	2-NAPHTHYLAMINE-6-SULFONIC ACID, SODIUM SALT	NO	NO	None
+NIST	C91638027_IR_0.jdx	7-(dimethylamino)-3-ethyl-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione	YES	NO	None
+NIST	C1435514_IR_0.jdx	1435-51-4	NO	NO	None
+NIST	C6683518_IR_0.jdx	6683-51-8	NO	NO	None
+NIST	C55776200_IR_0.jdx	55776-20-0	NO	NO	None
+NIST	B6000381_IR_0.jdx	ANISONITRILE	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#2650n - M-ALPHA HCl.jdx	M-ALPHA	NO	YES	CCC(C1=CC2=C(C=C1)OCO2)NC
+ENFSI	#4807n - M-ALPHA HCl.jdx	M-ALPHA	NO	YES	CCC(C1=CC2=C(C=C1)OCO2)NC
+NIST	C100016_IR_0.jdx	100-01-6	NO	NO	None
+NIST	C19549872_IR_0.jdx	19549-87-2	NO	NO	None
+NIST	B6005948_IR_0.jdx	9-Undecenoic acid, zinc salt	NO	NO	None
+NIST	C557404_IR_0.jdx	557-40-4	NO	NO	None
+NIST	C84355055_IR_0.jdx	84355-05-5	NO	NO	None
+NIST	C883998_IR_0.jdx	883-99-8	NO	NO	None
+NIST	C883998_IR_1.jdx	883-99-8	NO	NO	None
+NIST	C50919_IR_0.jdx	50-91-9	NO	NO	None
+NIST	C20427229_IR_0.jdx	20427-22-9	NO	NO	None
+NIST	C1878688_IR_0.jdx	1878-68-8	NO	NO	None
+NIST	C65303824_IR_0.jdx	65303-82-4	NO	NO	None
+NIST	C135671_IR_0.jdx	135-67-1	NO	NO	None
+NIST	C24973599_IR_0.jdx	24973-59-9	NO	NO	None
+NIST	C818235_IR_0.jdx	818-23-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	B6009294_IR_0.jdx	Acetanilide, 2-methyl-3-nitro-6-tert-butyl-	NO	NO	None
+ENFSI	#2216v - Hydroxylamine HCl.jdx	Hydroxylamine	NO	YES	NO
+NIST	C700389_IR_0.jdx	700-38-9	NO	NO	None
+NIST	C624486_IR_0.jdx	624-48-6	NO	NO	None
+NIST	C624497_IR_0.jdx	624-49-7	NO	NO	None
+NIST	C624497_IR_1.jdx	624-49-7	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C18961961_IR_0.jdx	18961-96-1	NO	NO	None
+NIST	C125520_IR_0.jdx	125-52-0	NO	NO	None
+NIST	C131378524_IR_0.jdx	4-ethoxy-2,6-bis(hydroxymethyl)phenol	YES	NO	None
+NIST	C99971810_IR_0.jdx	(5-amino-4-nitro-2-thienyl)(3,4-dichlorophenyl)methanone	YES	NO	None
+NIST	C5186685_IR_0.jdx	5186-68-5	NO	NO	None
+NIST	C6288933_IR_0.jdx	6288-93-3	NO	NO	None
+NIST	B6009408_IR_0.jdx	1,2-Dodecanediamine dihydrochloride	NO	NO	None
+NIST	C25134218_IR_0.jdx	25134-21-8	NO	NO	None
+NIST	C2104098_IR_0.jdx	2104-09-8	NO	NO	None
+NIST	C116373558_IR_0.jdx	116373-55-8	NO	NO	None
+NIST	C720752_IR_0.jdx	720-75-2	NO	NO	None
+NIST	C7371860_IR_0.jdx	7371-86-0	NO	NO	None
+NIST	B6004419_IR_0.jdx	2-HYDROXY-3-(N-OCTYLAMINO) PROPYL-TRIMETHYLAMMONIUM p-TOSYLATE	NO	NO	None
+NIST	C5310554_IR_0.jdx	5310-55-4	NO	NO	None
+NIST	C93227135_IR_0.jdx	9-ethyl-8,9-dihydro-7H-imidazo[2,1-i]purine	YES	NO	None
+NIST	C1335406_IR_0.jdx	1335-40-6	NO	NO	None
+NIST	C614993_IR_0.jdx	614-99-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	B6008951_IR_0.jdx	4-(2-Aminoethyl)catechol, hydrochloride	NO	NO	None
+NIST	C5464879_IR_0.jdx	5464-87-9	NO	NO	None
+NIST	C22193200_IR_0.jdx	22193-20-0	NO	NO	None
+NIST	C58902_IR_0.jdx	58-90-2	NO	NO	None
+NIST	C58902_IR_1.jdx	58-90-2	NO	NO	None
+NIST	C421692_IR_0.jdx	421-69-2	NO	NO	None
+NIST	C61191444_IR_0.jdx	61191-44-4	NO	NO	None
+NIST	C4027570_IR_0.jdx	4027-57-0	NO	NO	None
+NIST	C19780100_IR_0.jdx	19780-10-0	NO	NO	None
+NIST	C6064273_IR_0.jdx	6064-27-3	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#0766v - 4-MeO-PCP HCl _ 4-methoxy-PCP HCl.jdx	4-MeO-PCP	NO	YES	COC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3
+ENFSI	#1569v - 4-MeO-PCP HCl _ 4-methoxy-PCP HCl.jdx	4-MeO-PCP	NO	YES	COC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3
+SDBS	None	None	None	None	None
+NIST	C2209725_IR_0.jdx	2209-72-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C5524630_IR_0.jdx	diethyl 4-(dimethylamino)phenylamidophosphite	YES	NO	None
+ENFSI	#1537n - MDPHP base.jdx	MDPHP	NO	NO	None
+ENFSI	#2056n - MDPHP base.jdx	MDPHP	NO	NO	None
+ENFSI	#3868n - MDPHP base.jdx	MDPHP	NO	NO	None
+ENFSI	#3869n - MDPHP base.jdx	MDPHP	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C50843737_IR_0.jdx	50843-73-7	NO	NO	None
+NIST	C25563024_IR_0.jdx	25563-02-4	NO	NO	None
+NIST	C82585862_IR_0.jdx	82585-86-2	NO	NO	None
+NIST	C19437208_IR_0.jdx	19437-20-8	NO	NO	None
+NIST	C34709449_IR_0.jdx	34709-44-9	NO	NO	None
+SWGDRUG	#474 - Brompheniramine maleate (Lot #111K1531).JDX	Brompheniramine maleate	NO	NO	None
+NIST	B6009139_IR_0.jdx	2-BIPHENYLYLPENICILLIN, SODIUM SALT	NO	NO	None
+NIST	B6009951_IR_0.jdx	Aldehyde of Bryodulcosigenine 5	NO	NO	None
+NIST	C603350_IR_0.jdx	603-35-0	NO	NO	None
+NIST	C603350_IR_1.jdx	603-35-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C105500_IR_0.jdx	105-50-0	NO	NO	None
+NIST	C1421632_IR_0.jdx	1421-63-2	NO	NO	None
+NIST	C1421632_IR_1.jdx	1421-63-2	NO	NO	None
+NIST	C5336572_IR_0.jdx	5336-57-2	NO	NO	None
+NIST	C5336572_IR_1.jdx	5336-57-2	NO	NO	None
+NIST	C607590_IR_0.jdx	607-59-0	NO	NO	None
+NIST	C14691895_IR_0.jdx	14691-89-5	NO	NO	None
+NIST	C52770726_IR_0.jdx	52770-72-6	NO	NO	None
+NIST	C936721_IR_0.jdx	936-72-1	NO	NO	None
+SWGDRUG	#321 - Methylepitiostanol (Lot #RM-170728-01).JDX	Methylepitiostanol	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C7399000_IR_0.jdx	7399-00-0	NO	NO	None
+NIST	C58196477_IR_0.jdx	58196-47-7	NO	NO	None
+NIST	B6007245_IR_0.jdx	Benzensulfonic acid, 2,4,6-trinitro-, sodium salt	NO	NO	None
+NIST	C2048079_IR_0.jdx	2048-07-9	NO	NO	None
+NIST	C27326278_IR_0.jdx	27326-27-8	NO	NO	None
+NIST	C617367_IR_0.jdx	617-36-7	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C70779907_IR_0.jdx	70779-90-7	NO	NO	None
+NIST	C349780_IR_0.jdx	349-78-0	NO	NO	None
+NIST	C81618_IR_0.jdx	81-61-8	NO	NO	None
+NIST	C37592873_IR_0.jdx	37592-87-3	NO	NO	None
+NIST	C1127760_IR_0.jdx	1127-76-0	NO	NO	None
+NIST	C1127760_IR_1.jdx	1127-76-0	NO	NO	None
+NIST	C1127760_IR_2.jdx	1127-76-0	NO	NO	None
+ENFSI	#2458n - 25G-NBOMe base.jdx	25G-NBOMe	NO	NO	None
+NIST	C55175332_IR_0.jdx	55175-33-2	NO	NO	None
+NIST	C4170461_IR_0.jdx	4170-46-1	NO	NO	None
+NIST	C109936212_IR_0.jdx	109936-21-2	NO	NO	None
+NIST	C100964963_IR_0.jdx	100964-96-3	NO	NO	None
+NIST	C24358654_IR_0.jdx	24358-65-4	NO	NO	None
+ENFSI	#4809n - MD-N,NDiMe-valerophenone _ N,N-Dimethylpentylone _ 3,4-Methylenedioxy-N,N-dimethylvalerophenone.jdx	N,N-Dimethylpentylone	NO	NO	None
+ENFSI	#4811n - MD-N,NDiMe-valerophenone _ N,N-Dimethylpentylone _ 3,4-Methylenedioxy-N,N-dimethylvalerophenone.jdx	N,N-Dimethylpentylone	NO	NO	None
+NIST	C116373876_IR_0.jdx	4-bromo-7-methoxy-1H-inden-1-one	YES	NO	None
+NIST	C10574364_IR_0.jdx	10574-36-4	NO	NO	None
+NIST	C20710387_IR_0.jdx	20710-38-7	NO	NO	None
+NIST	C52273606_IR_0.jdx	52273-60-6	NO	NO	None
+NIST	B6008355_IR_0.jdx	CyclohexaneCarboxylic acid, 3,4-dihydroxy-cis-3, cis-4, methyl ester	NO	NO	None
+NIST	C5331486_IR_0.jdx	5331-48-6	NO	NO	None
+NIST	C87892884_IR_0.jdx	dimethyl 2-(diisopropoxyphosphoryl)succinate	YES	NO	None
+NIST	C2104645_IR_0.jdx	2104-64-5	NO	NO	None
+NIST	C1660953_IR_0.jdx	1660-95-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C111273_IR_0.jdx	111-27-3	NO	NO	None
+NIST	C111273_IR_1.jdx	111-27-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C1198272_IR_0.jdx	1198-27-2	NO	NO	None
+SWGDRUG	#636 - Fenethylline HCl  (Lot #SWL03).JDX	Fenethylline	NO	YES	CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C
+NIST	C580029_IR_0.jdx	580-02-9	NO	NO	None
+NIST	C399553_IR_0.jdx	399-55-3	NO	NO	None
+NIST	C99328468_IR_0.jdx	99328-46-8	NO	NO	None
+NIST	C1502381_IR_0.jdx	1502-38-1	NO	NO	None
+NIST	C683181_IR_1.jdx	683-18-1	NO	NO	None
+NIST	C3179097_IR_0.jdx	3179-09-7	NO	NO	None
+NIST	B6000559_IR_0.jdx	AMMONIUM PERSULFATE	NO	NO	None
+NIST	C129206537_IR_0.jdx	3-(chloromethyl)-5-(5-nitro-2-furyl)-1,2,4-oxadiazole	YES	NO	None
+NIST	C28896493_IR_0.jdx	28896-49-3	NO	NO	None
+NIST	C23307020_IR_0.jdx	N,N-dipentylamine hydrochloride	YES	NO	None
+NIST	C18355732_IR_0.jdx	18355-73-2	NO	NO	None
+ENFSI	#2013n - 3C-P base.jdx	3C-P	NO	NO	None
+ENFSI	#2014n - 3C-P base.jdx	3C-P	NO	NO	None
+ENFSI	#4774n - 3C-P.jdx	3C-P	NO	NO	None
+ENFSI	#4776n - 3C-P.jdx	3C-P	NO	NO	None
+NIST	C13183705_IR_0.jdx	13183-70-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C1022464_IR_0.jdx	1022-46-4	NO	NO	None
+NIST	C632473_IR_0.jdx	632-47-3	NO	NO	None
+NIST	C115720_IR_0.jdx	115-72-0	NO	NO	None
+NIST	C629890_IR_0.jdx	629-89-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C4461487_IR_0.jdx	4461-48-7	NO	NO	None
+NIST	C674760_IR_0.jdx	674-76-0	NO	NO	None
+NIST	C691383_IR_0.jdx	691-38-3	NO	NO	None
+NIST	C691383_IR_1.jdx	691-38-3	NO	NO	None
+NIST	C78546039_IR_0.jdx	2-(diethylamino)ethyl (dicyclohexylamino)acetate	YES	NO	None
+NIST	C115899_IR_0.jdx	115-89-9	NO	NO	None
+NIST	C104245_IR_0.jdx	104-24-5	NO	NO	None
+ENFSI	#0072n - 25D-NBOMe base.jdx	25D-NBOMe	NO	NO	None
+NIST	C5597273_IR_0.jdx	5597-27-3	NO	NO	None
+NIST	C23844566_IR_0.jdx	23844-56-6	NO	NO	None
+NIST	C90119_IR_0.jdx	90-11-9	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C94907387_IR_0.jdx	nonyl 4-methoxyphenylcarbamate	YES	NO	None
+NIST	C116659826_IR_0.jdx	1-phenyl-2-[3-(phenylsulfanyl)-2-pyrazinyl]ethanone	YES	NO	None
+NIST	C21113360_IR_0.jdx	21113-36-0	NO	NO	None
+NIST	C117817_IR_0.jdx	117-81-7	NO	NO	None
+NIST	C117817_IR_1.jdx	117-81-7	NO	NO	None
+NIST	C117817_IR_2.jdx	117-81-7	NO	NO	None
+NIST	C131204_IR_0.jdx	131-20-4	NO	NO	None
+NIST	C27554263_IR_0.jdx	27554-26-3	NO	NO	None
+SWGDRUG	#587 - Despropionyl meta-Fluorofentanyl (Lot #0534823-2).JDX	Despropionyl meta-Fluorofentanyl	NO	NO	None
+NIST	C70288970_IR_0.jdx	70288-97-0	NO	NO	None
+NIST	C70288970_IR_1.jdx	70288-97-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C41114005_IR_0.jdx	41114-00-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C71443_IR_0.jdx	71-44-3	NO	NO	None
+NIST	C19947229_IR_0.jdx	19947-22-9	NO	NO	None
+NIST	C1724396_IR_0.jdx	1724-39-6	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#3478n - 3,4-Dichloro-N,N-cyclohexylmethylcathinone base.jdx	3,4-Dichloro-N,N-cyclohexylmethylcathinone	NO	NO	None
+ENFSI	#3480n - 3,4-Dichloro-N,N-cyclohexylmethylcathinone base.jdx	3,4-Dichloro-N,N-cyclohexylmethylcathinone	NO	NO	None
+NIST	C6279487_IR_0.jdx	6279-48-7	NO	NO	None
+NIST	C74962984_IR_0.jdx	74962-98-4	NO	NO	None
+NIST	C84612748_IR_0.jdx	84612-74-8	NO	NO	None
+NIST	C62486_IR_0.jdx	62-48-6	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#2702v - 4,5-MDAI HCl.jdx	4,5-MDAI	NO	YES	C1C(CC2=C1C=CC3=C2OCO3)N
+NIST	C1094855_IR_0.jdx	1094-85-5	NO	NO	None
+NIST	C22219007_IR_0.jdx	22219-00-7	NO	NO	None
+NIST	C3598661_IR_0.jdx	3598-66-1	NO	NO	None
+NIST	C2122772_IR_0.jdx	2122-77-2	NO	NO	None
+NIST	C111530508_IR_0.jdx	tri(sec-butyl) (1Z)-1-propene-1,2,3-tricarboxylate	YES	NO	None
+ENFSI	#2104n - 4-fluoroethylphenidate base.jdx	4-fluoroethylphenidate	NO	NO	None
+ENFSI	#2430n - 4-fluoroethylphenidate base.jdx	4-fluoroethylphenidate	NO	NO	None
+NIST	C943599_IR_0.jdx	943-59-9	NO	NO	None
+NIST	C2234142_IR_0.jdx	2234-14-2	NO	NO	None
+NIST	C2234142_IR_1.jdx	2234-14-2	NO	NO	None
+NIST	C62317128_IR_0.jdx	62317-12-8	NO	NO	None
+NIST	C6626159_IR_0.jdx	6626-15-9	NO	NO	None
+NIST	C6669018_IR_0.jdx	6669-01-8	NO	NO	None
+NIST	C59973078_IR_0.jdx	59973-07-8	NO	NO	None
+NIST	C1012722_IR_0.jdx	1012-72-2	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C875592_IR_0.jdx	875-59-2	NO	NO	None
+NIST	C1915771_IR_0.jdx	1915-77-1	NO	NO	None
+ENFSI	#4409n - Methoxpropamine HCl.jdx	Methoxpropamine	NO	YES	CCCNC1(CCCCC1=O)C2=CC(=CC=C2)OC
+NIST	C206761844_IR_0.jdx	206761-84-4	NO	NO	None
+NIST	C108167_IR_0.jdx	108-16-7	NO	NO	None
+NIST	C1093589_IR_0.jdx	1093-58-9	NO	NO	None
+NIST	B6010409_IR_0.jdx	3,4,5-PYRIDINETRIAMINE, DIHYDROCHLORIDE	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	B6008237_IR_0.jdx	Purine, 6-chloro-2-hydrazino-	NO	NO	None
+NIST	C27129879_IR_0.jdx	27129-87-9	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C19770866_IR_0.jdx	N-[4-(dimethylamino)phenyl]-N-[(3,4-dimethylphenyl)sulfonyl]-3,4-dimethylbenzenesulfonamide	YES	NO	None
+NIST	B6010452_IR_0.jdx	HYPOXANTHINE, 7-BUTYL-	NO	NO	None
+NIST	C109444_IR_0.jdx	109-44-4	NO	NO	None
+NIST	C109444_IR_1.jdx	109-44-4	NO	NO	None
+NIST	C109444_IR_2.jdx	109-44-4	NO	NO	None
+NIST	C128049263_IR_0.jdx	128049-26-3	NO	NO	None
+NIST	C19766542_IR_0.jdx	19766-54-2	NO	NO	None
+NIST	C57989341_IR_0.jdx	57989-34-1	NO	NO	None
+NIST	C23069990_IR_0.jdx	23069-99-0	NO	NO	None
+NIST	C23069990_IR_1.jdx	23069-99-0	NO	NO	None
+NIST	C500389_IR_0.jdx	500-38-9	NO	NO	None
+NIST	C500389_IR_1.jdx	500-38-9	NO	NO	None
+NIST	C84606_IR_0.jdx	84-60-6	NO	NO	None
+NIST	C116529363_IR_0.jdx	116529-36-3	NO	NO	None
+ENFSI	#4558n - Flubrotizolam.jdx	Flubrotizolam	NO	NO	None
+ENFSI	#4559n - Flubrotizolam.jdx	Flubrotizolam	NO	NO	None
+ENFSI	#4560n - Flubrotizolam.jdx	Flubrotizolam	NO	NO	None
+NIST	C97594666_IR_0.jdx	97594-66-6	NO	NO	None
+SWGDRUG	#152 - Phentermine HCl (Lot #11716).JDX	Phentermine	NO	YES	CC(C)(CC1=CC=CC=C1)N
+NIST	C10458987_IR_0.jdx	10458-98-7	NO	NO	None
+NIST	C6950794_IR_0.jdx	6950-79-4	NO	NO	None
+NIST	C6309304_IR_0.jdx	6309-30-4	NO	NO	None
+NIST	C825923_IR_0.jdx	825-92-3	NO	NO	None
+NIST	C651707_IR_0.jdx	651-70-7	NO	NO	None
+NIST	C28460017_IR_0.jdx	28460-01-7	NO	NO	None
+NIST	C87058_IR_0.jdx	87-05-8	NO	NO	None
+NIST	C6196607_IR_0.jdx	6196-60-7	NO	NO	None
+NIST	C828273_IR_0.jdx	828-27-3	NO	NO	None
+NIST	C92728_IR_0.jdx	92-72-8	NO	NO	None
+ENFSI	#0112v - Cocaine HCl.jdx	Cocaine	NO	YES	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
+ENFSI	#0985n - cocaine-HCl.jdx	cocaine	NO	YES	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
+ENFSI	#0986v - cocaine-HCl.jdx	cocaine	NO	YES	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
+ENFSI	#0987v - cocaine-HCl.jdx	cocaine	NO	YES	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
+ENFSI	#0988v - cocaine-HCl.jdx	cocaine	NO	YES	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
+NIST	B6005004_IR_0.jdx	COCAINE MURIATE	NO	NO	None
+SWGDRUG	#163 - Cocaine HCl (Lot #N16-P57A-2).JDX	Cocaine	NO	YES	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
+NIST	C218019_IR_0.jdx	218-01-9	NO	NO	None
+NIST	C218019_IR_1.jdx	218-01-9	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C1627992_IR_0.jdx	1627-99-2	NO	NO	None
+NIST	C298033_IR_0.jdx	298-03-3	NO	NO	None
+ENFSI	#1403n - ADB-CHMICA.jdx	ADB-CHMICA	NO	NO	None
+ENFSI	#1862n - ADB-CHMICA.jdx	ADB-CHMICA	NO	NO	None
+ENFSI	#1883n - ADB-CHMICA.jdx	ADB-CHMICA	NO	NO	None
+ENFSI	#2342n - ADB-CHMINACA.jdx	ADB-CHMINACA	NO	NO	None
+ENFSI	#2343n - ADB-CHMINACA.jdx	ADB-CHMINACA	NO	NO	None
+ENFSI	#3032n - ADB-CHMINACA _ MAB-CHMINACA.jdx	ADB-CHMINACA	NO	NO	None
+ENFSI	#3387n - ADB-CHMINACA.jdx	ADB-CHMINACA	NO	NO	None
+ENFSI	#3388n - ADB-CHMINACA.jdx	ADB-CHMINACA	NO	NO	None
+ENFSI	#3389n - ADB-CHMINACA.jdx	ADB-CHMINACA	NO	NO	None
+ENFSI	#4854n - ADB-CHMINACA _ MAB-CHMINACA.jdx	ADB-CHMINACA	NO	NO	None
+SWGDRUG	#233 - MAB-CHMINACA (Lot #0466513-7).JDX	MAB-CHMINACA	NO	NO	None
+NIST	C2060891_IR_0.jdx	2060-89-1	NO	NO	None
+NIST	C15074165_IR_0.jdx	15074-16-5	NO	NO	None
+NIST	C2009838_IR_0.jdx	2009-83-8	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#0078n - AM-1248.jdx	AM-1248	NO	NO	None
+ENFSI	#3050n - AM-1248.jdx	AM-1248	NO	NO	None
+SWGDRUG	#105 - AM1248 (Lot #N1P21).JDX	AM1248	NO	NO	None
+NIST	C610695_IR_0.jdx	610-69-5	NO	NO	None
+NIST	C5367282_IR_0.jdx	5367-28-2	NO	NO	None
+NIST	C636986_IR_0.jdx	636-98-6	NO	NO	None
+NIST	C4706892_IR_0.jdx	4706-89-2	NO	NO	None
+NIST	C2032599_IR_0.jdx	2032-59-9	NO	NO	None
+NIST	C35532731_IR_0.jdx	35532-73-1	NO	NO	None
+NIST	C116495693_IR_0.jdx	1-butyl-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione	YES	NO	None
+NIST	C7402702_IR_0.jdx	7402-70-2	NO	NO	None
+NIST	B6009469_IR_0.jdx	1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tri-(2-methylpentyl) ester	NO	NO	None
+NIST	C16655826_IR_0.jdx	16655-82-6	NO	NO	None
+NIST	C759580_IR_0.jdx	759-58-0	NO	NO	None
+NIST	C110996_IR_0.jdx	110-99-6	NO	NO	None
+NIST	B6008710_IR_0.jdx	Adenine, N-[o-(methylthio)phenyl]-	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C17554631_IR_0.jdx	17554-63-1	NO	NO	None
+NIST	C1002284_IR_0.jdx	1002-28-4	NO	NO	None
+SWGDRUG	#574 - Tetrahydrofuran fentanyl 3-tetrahydrofurancarboxamide HCl (Lot #0550261-2).JDX	Tetrahydrofuran fentanyl 3-tetrahydrofurancarboxamide	NO	YES	C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3CCOC3)CCC4=CC=CC=C4
+NIST	C63896866_IR_0.jdx	63896-86-6	NO	NO	None
+NIST	C120558_IR_0.jdx	120-55-8	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C33985750_IR_0.jdx	33985-75-0	NO	NO	None
+NIST	B6000663_IR_0.jdx	OCTATETRAENE DICARBOXYLIC ACID, DIMETHYL ESTER	NO	NO	None
+NIST	B6000457_IR_0.jdx	AMMONIUM CHROMATE	NO	NO	None
+NIST	C4426839_IR_0.jdx	4426-83-9	NO	NO	None
+NIST	C4426839_IR_1.jdx	4426-83-9	NO	NO	None
+NIST	C925780_IR_0.jdx	925-78-0	NO	NO	None
+NIST	C83704001_IR_0.jdx	2,2-dichloro-N-(2-hydroxyethyl)propanamide	NO	NO	None
+NIST	C87605_IR_0.jdx	87-60-5	NO	NO	None
+NIST	C4468579_IR_0.jdx	4468-57-9	NO	NO	None
+NIST	B6006031_IR_0.jdx	1-Pyrrolidinecarbodithioic acid, ammonuim salt	NO	NO	None
+NIST	C15121843_IR_0.jdx	15121-84-3	NO	NO	None
+NIST	C4170847_IR_0.jdx	4170-84-7	NO	NO	None
+NIST	C99116_IR_0.jdx	99-11-6	NO	NO	None
+NIST	B6001530_IR_0.jdx	DIETHYLAMINOETHANOL HYDROCHLORIDE	NO	NO	None
+NIST	C14426201_IR_0.jdx	14426-20-1	NO	NO	None
+NIST	C6416393_IR_0.jdx	6416-39-3	NO	NO	None
+NIST	C1846760_IR_0.jdx	1846-76-0	NO	NO	None
+NIST	C37143547_IR_0.jdx	37143-54-7	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C6277389_IR_0.jdx	6277-38-9	NO	NO	None
+NIST	C455323_IR_0.jdx	455-32-3	NO	NO	None
+NIST	C32360057_IR_0.jdx	32360-05-7	NO	NO	None
+NIST	C2338547_IR_0.jdx	2338-54-7	NO	NO	None
+NIST	C102236248_IR_0.jdx	102236-24-8	NO	NO	None
+NIST	C29682460_IR_0.jdx	29682-46-0	NO	NO	None
+NIST	C23191755_IR_0.jdx	23191-75-5	NO	NO	None
+NIST	B6004671_IR_0.jdx	CALCIUM SULFATE	NO	NO	None
+NIST	C7778189_IR_0.jdx	7778-18-9	NO	NO	None
+NIST	C630080_IR_0.jdx	630-08-0	NO	NO	None
+NIST	C630080_IR_1.jdx	630-08-0	NO	NO	None
+NIST	C4145986_IR_0.jdx	4145-98-6	NO	NO	None
+NIST	C583539_IR_0.jdx	583-53-9	NO	NO	None
+NIST	C583539_IR_1.jdx	583-53-9	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C1588892_IR_0.jdx	1588-89-2	NO	NO	None
+NIST	C71029373_IR_0.jdx	allyl 4-isopropylphenyl ether	YES	NO	None
+SDBS	None	None	None	None	None
+NIST	C101251438_IR_0.jdx	N<2>,N<6>,N<6>-trimethyl-7H-purine-2,6-diamine	YES	NO	None
+NIST	B6002878_IR_0.jdx	1,1'-BIS(DIMETHYLETHOXYSILANYL) FERROCENE	NO	NO	None
+NIST	C386710_IR_0.jdx	386-71-0	NO	NO	None
+NIST	C10054098_IR_0.jdx	10054-09-8	NO	NO	None
+NIST	C116660049_IR_0.jdx	3-benzyl-2-pyrazinyl phenyl sulfide	YES	NO	None
+NIST	C1460986_IR_0.jdx	1460-98-6	NO	NO	None
+NIST	B6000080_IR_0.jdx	LANTHANUM OXALATE	NO	NO	None
+NIST	C93995950_IR_0.jdx	pentyl 4-[(E)-phenyldiazenyl]phenylcarbamate	YES	NO	None
+ENFSI	#4814n - Metonitazepyne HCl.jdx	Metonitazepyne	NO	YES	COC1=CC=C(C=C1)CC2=NC3=C(N2CCN4CCCC4)C=CC(=C3)[N+](=O)[O-]
+NIST	B6006758_IR_0.jdx	2-NORBORNANAMINE, N-BENZYL-	NO	NO	None
+NIST	C35718037_IR_0.jdx	35718-03-7	NO	NO	None
+NIST	C5500210_IR_0.jdx	5500-21-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C590385_IR_0.jdx	590-38-5	NO	NO	None
+NIST	C23271627_IR_0.jdx	23271-62-7	NO	NO	None
+NIST	C24426162_IR_0.jdx	24426-16-2	NO	NO	None
+NIST	C4911460_IR_0.jdx	4911-46-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C23256555_IR_0.jdx	23256-55-5	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#0098v - 3-Acetylmorphine amidosulfonate.jdx	3-Acetylmorphine amidosulfonate	YES	NO	None
+ENFSI	#0741n - 3-Acetylmorphine amidosulfonate.jdx	3-Acetylmorphine amidosulfonate	YES	NO	None
+ENFSI	#0742v - 3-Acetylmorphine amidosulfonate.jdx	3-Acetylmorphine amidosulfonate	YES	NO	None
+ENFSI	#0743v - 3-Acetylmorphine amidosulfonate.jdx	3-Acetylmorphine amidosulfonate	YES	NO	None
+NIST	C10606470_IR_0.jdx	10606-47-0	NO	NO	None
+NIST	C2108056_IR_0.jdx	2108-05-6	NO	NO	None
+NIST	C151564_IR_0.jdx	151-56-4	NO	NO	None
+NIST	C151564_IR_1.jdx	151-56-4	NO	NO	None
+NIST	C790909_IR_0.jdx	790-90-9	NO	NO	None
+NIST	C100867_IR_0.jdx	100-86-7	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C6628280_IR_0.jdx	6628-28-0	NO	NO	None
+NIST	C1573280_IR_0.jdx	1573-28-0	NO	NO	None
+NIST	C634037_IR_0.jdx	634-03-7	NO	NO	None
+NIST	C122678_IR_0.jdx	122-67-8	NO	NO	None
+NIST	C71642165_IR_0.jdx	71642-16-5	NO	NO	None
+NIST	C4708241_IR_0.jdx	4708-24-1	NO	NO	None
+NIST	C97547938_IR_0.jdx	97547-93-8	NO	NO	None
+NIST	C3696660_IR_0.jdx	3696-66-0	NO	NO	None
+NIST	C6963446_IR_0.jdx	6963-44-6	NO	NO	None
+NIST	C6963446_IR_1.jdx	6963-44-6	NO	NO	None
+ENFSI	#1966n - Fentanyl HCl.jdx	Fentanyl	NO	YES	CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
+SWGDRUG	#256 - Fentanyl HCl (Lot #ALB-297-3).JDX	Fentanyl	NO	YES	CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
+NIST	C19255357_IR_0.jdx	19255-35-7	NO	NO	None
+NIST	C600259_IR_0.jdx	600-25-9	NO	NO	None
+NIST	C5022297_IR_0.jdx	5022-29-7	NO	NO	None
+NIST	C5022297_IR_1.jdx	5022-29-7	NO	NO	None
+NIST	C78666952_IR_0.jdx	5-methyl-7-(4-morpholinyl)[1,2,4]triazolo[1,5-a]pyrimidine	YES	NO	None
+SDBS	None	None	None	None	None
+NIST	C1731799_IR_0.jdx	1731-79-9	NO	NO	None
+ENFSI	#3253n - Cumyl-5F-P7AICA.jdx	Cumyl-5F-P7AICA	NO	NO	None
+ENFSI	#3254n - Cumyl-5F-P7AICA.jdx	Cumyl-5F-P7AICA	NO	NO	None
+ENFSI	#3255n - Cumyl-5F-P7AICA.jdx	Cumyl-5F-P7AICA	NO	NO	None
+ENFSI	#4861n - CUMYL-5F-P7AICA.jdx	CUMYL-5F-P7AICA	NO	NO	None
+NIST	C98952137_IR_0.jdx	98952-13-7	NO	NO	None
+NIST	C37676929_IR_0.jdx	ethyl 3,3-dimethyl-1-cyclobutene-1-carboxylate	YES	NO	None
+SDBS	None	None	None	None	None
+NIST	B6002190_IR_0.jdx	TEREPHTHALIC ACID, DISODIUM SALT	NO	NO	None
+NIST	C5296640_IR_0.jdx	5296-64-0	NO	NO	None
+ENFSI	#2813v - Prilocaine HCl.jdx	Prilocaine	NO	YES	CCCNC(C)C(=O)NC1=CC=CC=C1C
+NIST	C116465704_IR_0.jdx	4-hydroxybenzaldehyde (4-chlorophenyl)hydrazone	YES	NO	None
+NIST	C20348098_IR_0.jdx	20348-09-8	NO	NO	None
+NIST	C25371986_IR_0.jdx	25371-98-6	NO	NO	None
+NIST	C3971333_IR_0.jdx	3971-33-3	NO	NO	None
+NIST	C3971333_IR_1.jdx	3971-33-3	NO	NO	None
+NIST	C1144747_IR_0.jdx	1144-74-7	NO	NO	None
+NIST	C1144747_IR_1.jdx	1144-74-7	NO	NO	None
+NIST	C1144747_IR_2.jdx	1144-74-7	NO	NO	None
+ENFSI	#0781n - 6-Acetylmorphine base.jdx	6-Acetylmorphine	NO	NO	None
+NIST	C2784738_IR_0.jdx	2784-73-8	NO	NO	None
+SWGDRUG	#534 - O6-Acetylmorphine base (Lot #AKE107A-3).JDX	O6-Acetylmorphine	NO	NO	None
+ENFSI	#3574n - 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine base.jdx	1-(4-bromo-2,5-dimethoxyphenyl)ethanamine	NO	NO	None
+ENFSI	#4418n - 1-(4-Bromo-2,5-dimethoxyphenyl)ethanamine base.jdx	1-(4-Bromo-2,5-dimethoxyphenyl)ethanamine	NO	NO	None
+NIST	C19770844_IR_0.jdx	N-[4-(dimethylamino)phenyl]-N-(phenylsulfonyl)benzenesulfonamide	YES	NO	None
+NIST	C106332_IR_0.jdx	106-33-2	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	B6000471_IR_0.jdx	AMMONIUM METAVANADATE	NO	NO	None
+NIST	C3695849_IR_0.jdx	3695-84-9	NO	NO	None
+NIST	C1655410_IR_0.jdx	1655-41-0	NO	NO	None
+NIST	C1655410_IR_1.jdx	1655-41-0	NO	NO	None
+NIST	C1655410_IR_2.jdx	1655-41-0	NO	NO	None
+NIST	C17452141_IR_0.jdx	17452-14-1	NO	NO	None
+NIST	C31857893_IR_0.jdx	31857-89-3	NO	NO	None
+NIST	C6836426_IR_0.jdx	6836-42-6	NO	NO	None
+ENFSI	#1552n - 5-MABB HCl _ 5-MBPB HCl.jdx	5-MBPB	NO	YES	CCC(CC1=CC2=C(C=C1)OC=C2)NC
+ENFSI	#2039n - 5-MABB HCl _ 5-MBPB HCl.jdx	5-MBPB	NO	YES	CCC(CC1=CC2=C(C=C1)OC=C2)NC
+NIST	C95809840_IR_0.jdx	2-methoxy-6a-methyl-5,6,6a,6b,9,10,10a,11,11a,11b,12,13-dodecahydronaphtho[2',1':4,5]indeno[1,2-b]pyran-8(4bH)-one	YES	NO	None
+SDBS	None	None	None	None	None
+NIST	C77634_IR_0.jdx	77-63-4	NO	NO	None
+NIST	C423381_IR_0.jdx	423-38-1	NO	NO	None
+ENFSI	#0143n - Nandrolone.jdx	Nandrolone	NO	NO	None
+NIST	C135795_IR_0.jdx	135-79-5	NO	NO	None
+NIST	C152181_IR_0.jdx	152-18-1	NO	NO	None
+NIST	C152181_IR_1.jdx	152-18-1	NO	NO	None
+NIST	C16636627_IR_0.jdx	16636-62-7	NO	NO	None
+NIST	C3967542_IR_0.jdx	3967-54-2	NO	NO	None
+NIST	C22699974_IR_0.jdx	22699-97-4	NO	NO	None
+ENFSI	#1743v - JWH-368.jdx	JWH-368	NO	NO	None
+ENFSI	#1830n - JWH-368.jdx	JWH-368	NO	NO	None
+ENFSI	#2409n - JWH-368.jdx	JWH-368	NO	NO	None
+ENFSI	#2410n - JWH-368.jdx	JWH-368	NO	NO	None
+NIST	C100378_IR_0.jdx	100-37-8	NO	NO	None
+NIST	C100378_IR_1.jdx	100-37-8	NO	NO	None
+NIST	C629312_IR_0.jdx	629-31-2	NO	NO	None
+NIST	B6001619_IR_0.jdx	P-(4-AMINO-1-NAPHTHYLAZO)BENZENE SULFONIC ACID, SODIUM SALT	NO	NO	None
+NIST	C3128072_IR_0.jdx	3128-07-2	NO	NO	None
+NIST	C579748_IR_0.jdx	579-74-8	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C576830_IR_0.jdx	576-83-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C5348072_IR_0.jdx	5348-07-2	NO	NO	None
+NIST	C7664804_IR_0.jdx	7664-80-4	NO	NO	None
+NIST	C635109_IR_0.jdx	635-10-9	NO	NO	None
+NIST	C53685771_IR_0.jdx	53685-77-1	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C42454944_IR_0.jdx	42454-94-4	NO	NO	None
+NIST	C13007415_IR_0.jdx	13007-41-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C3400451_IR_0.jdx	3400-45-1	NO	NO	None
+NIST	C1475123_IR_0.jdx	1475-12-3	NO	NO	None
+NIST	C1475123_IR_1.jdx	1475-12-3	NO	NO	None
+NIST	C747900_IR_0.jdx	747-90-0	NO	NO	None
+NIST	C7402611_IR_0.jdx	7402-61-1	NO	NO	None
+NIST	B6010383_IR_0.jdx	BENZAMIDE, 2-AMINO-3,5-DIIODO-	NO	NO	None
+ENFSI	#1405n - FUBIMINA HCl.jdx	FUBIMINA	NO	YES	C1=CC=C2C(=C1)C=CC=C2C(=O)C3=NC4=CC=CC=C4N3CCCCCF
+NIST	B6007734_IR_0.jdx	ETHYLAMINE, 2,2'-DITHIOBIS[N-[(2-BENZYLTHIO)ETHYL]-, DIHYDROCHLORIDE	NO	NO	None
+SWGDRUG	#584 - Methyldienolone (Lot #0495035-7).JDX	Methyldienolone	NO	NO	None
+ENFSI	#2890n - Cyclopropyl-norfentanyl base.jdx	Cyclopropyl-norfentanyl	NO	NO	None
+NIST	C100550_IR_0.jdx	100-55-0	NO	NO	None
+NIST	B6009971_IR_0.jdx	ORNITHINE, MONOPICRATE	NO	NO	None
+NIST	C20258951_IR_0.jdx	20258-95-1	NO	NO	None
+NIST	C2039761_IR_0.jdx	2039-76-1	NO	NO	None
+NIST	C34376244_IR_0.jdx	34376-24-4	NO	NO	None
+NIST	C90437_IR_0.jdx	90-43-7	NO	NO	None
+NIST	C90437_IR_1.jdx	90-43-7	NO	NO	None
+NIST	C604637_IR_0.jdx	604-63-7	NO	NO	None
+NIST	C886351_IR_0.jdx	886-35-1	NO	NO	None
+NIST	C758963_IR_0.jdx	758-96-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C28522330_IR_0.jdx	28522-33-0	NO	NO	None
+NIST	C104632_IR_0.jdx	104-63-2	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C7150723_IR_0.jdx	7150-72-3	NO	NO	None
+NIST	B6000065_IR_0.jdx	CALCIUM OXALATE	NO	NO	None
+NIST	C96264_IR_0.jdx	96-26-4	NO	NO	None
+NIST	C611701_IR_0.jdx	611-70-1	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C19398880_IR_0.jdx	19398-88-0	NO	NO	None
+NIST	C19398880_IR_1.jdx	19398-88-0	NO	NO	None
+NIST	C19398891_IR_0.jdx	19398-89-1	NO	NO	None
+NIST	C395448_IR_0.jdx	395-44-8	NO	NO	None
+NIST	C10268710_IR_0.jdx	10268-71-0	NO	NO	None
+NIST	B6002916_IR_0.jdx	2-(M-PHENOXYPHENOXY)-3-(2-TRIMETHYLSILYLETHYL) PYRAZINE	NO	NO	None
+NIST	C129351_IR_0.jdx	129-35-1	NO	NO	None
+ENFSI	#0787n - A-836,339.jdx	A-836,339	NO	NO	None
+SWGDRUG	#028 - A-836,339 (Lot #N1P54EMG).JDX	A-836,339	NO	NO	None
+NIST	C1122549_IR_0.jdx	1122-54-9	NO	NO	None
+NIST	C38746939_IR_0.jdx	38746-93-9	NO	NO	None
+NIST	C5675252_IR_0.jdx	5675-25-2	NO	NO	None
+NIST	C21244246_IR_0.jdx	21244-24-6	NO	NO	None
+NIST	C21244246_IR_1.jdx	21244-24-6	NO	NO	None
+ENFSI	#1675n - U-47700 HCl.jdx	U-47700	NO	YES	CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
+ENFSI	#3264n - U-47700 HCl.jdx	U-47700	NO	YES	CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
+SWGDRUG	#276 - U-47700 HCl (Lot #RM-160614-01).JDX	U-47700	NO	YES	CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
+NIST	C116402449_IR_0.jdx	N-butyl-2,2-dichloro-N-(2-chlorophenyl)propanamide	YES	NO	None
+NIST	C39924475_IR_0.jdx	methyl (2E,4Z)-2,4-dodecadienoate	YES	NO	None
+ENFSI	#2723n - AB-7-FUBAICA.jdx	AB-7-FUBAICA	NO	NO	None
+ENFSI	#2793n - AB-7-FUBAICA.jdx	AB-7-FUBAICA	NO	NO	None
+NIST	B6009303_IR_0.jdx	Urea, 1-(2',4'-di-tert-butylphenyl)-3-isopropyl-	NO	NO	None
+NIST	C79721_IR_0.jdx	79-72-1	NO	NO	None
+NIST	C116465986_IR_0.jdx	2,4-dimethylphenyl 2,4-dichlorobenzoate	YES	NO	None
+NIST	C5876879_IR_0.jdx	5876-87-9	NO	NO	None
+NIST	C5876879_IR_1.jdx	5876-87-9	NO	NO	None
+ENFSI	#3093n - Diphenylacetonitrile.jdx	Diphenylacetonitrile	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C7151395_IR_0.jdx	7151-39-5	NO	NO	None
+NIST	C116402994_IR_0.jdx	2-(4-tert-butylphenoxy)-3-[2-(trimethylsilyl)ethyl]pyrazine	YES	NO	None
+SWGDRUG	#404 - Dextromethorphan HBr (Lot #52123).JDX	Dextromethorphan	NO	YES	CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC
+SDBS	None	None	None	None	None
+ENFSI	#0731v - 3,4-dimethylmethcathinone HCl _ 3,4-DMMC HCl.jdx	3,4-dimethylmethcathinone	NO	YES	CC1=C(C=C(C=C1)C(=O)C(C)NC)C
+ENFSI	#0732n - 3,4-dimethylmethcathinone HCl _ 3,4-DMMC HCl.jdx	3,4-dimethylmethcathinone	NO	YES	CC1=C(C=C(C=C1)C(=O)C(C)NC)C
+ENFSI	#2976n - 3,4-Dimethylmethcathinon HCl _ 3,4-DMMC HCl.jdx	3,4-DMMC	NO	YES	CC1=C(C=C(C=C1)C(=O)C(C)NC)C
+ENFSI	#4139n - 3,4-DMMC HCl.jdx	3,4-DMMC	NO	YES	CC1=C(C=C(C=C1)C(=O)C(C)NC)C
+SWGDRUG	#016 - 3,4-Dimethylmethcathinone HCl (Lot #N17-P79A).JDX	3,4-Dimethylmethcathinone	NO	YES	CC1=C(C=C(C=C1)C(=O)C(C)NC)C
+NIST	C19398619_IR_0.jdx	19398-61-9	NO	NO	None
+NIST	C484662_IR_0.jdx	484-66-2	NO	NO	None
+NIST	C5462271_IR_0.jdx	5462-27-1	NO	NO	None
+NIST	C113571156_IR_0.jdx	113571-15-6	NO	NO	None
+NIST	B6009642_IR_0.jdx	Pentachlorooctadecanoic acid, methyl ester	NO	NO	None
+NIST	C109392907_IR_0.jdx	109392-90-7	NO	NO	None
+NIST	C15180195_IR_0.jdx	15180-19-5	NO	NO	None
+NIST	B6007151_IR_0.jdx	Glycine, magnesuim salt	NO	NO	None
+ENFSI	#2005n - deschloro-N-ethyl-ketamine HCl _ O-PCE HCl.jdx	deschloro-N-ethyl-ketamine	NO	YES	CCNC1(CCCCC1=O)C2=CC=CC=C2
+ENFSI	#2451n - deschloro-N-ethyl-ketamine HCl _ O-PCE HCl.jdx	deschloro-N-ethyl-ketamine	NO	YES	CCNC1(CCCCC1=O)C2=CC=CC=C2
+ENFSI	#3083n - Deschloro-N-ethyl-ketamine HCl _ O-PCE HCl.jdx	Deschloro-N-ethyl-ketamine	NO	YES	CCNC1(CCCCC1=O)C2=CC=CC=C2
+SWGDRUG	#308 - Deschloro-N-ethyl-ketamine HCl (Lot #0455833-25).JDX	Deschloro-N-ethyl-ketamine	NO	YES	CCNC1(CCCCC1=O)C2=CC=CC=C2
+NIST	C135626_IR_0.jdx	135-62-6	NO	NO	None
+NIST	C99285_IR_0.jdx	99-28-5	NO	NO	None
+NIST	C2381217_IR_0.jdx	2381-21-7	NO	NO	None
+NIST	C606860_IR_0.jdx	606-86-0	NO	NO	None
+NIST	C348594_IR_0.jdx	348-59-4	NO	NO	None
+ENFSI	#1423n - 3-CMC.jdx	3-CMC	NO	NO	None
+ENFSI	#1871n - 3-CMC base.jdx	3-CMC	NO	NO	None
+ENFSI	#1886n - 3-CMC base.jdx	3-CMC	NO	NO	None
+ENFSI	#3444n - 3-Chloromethcathinone base.jdx	3-Chloromethcathinone	NO	NO	None
+ENFSI	#3446n - 3-CMC _ 3-Chloromethcathinone base.jdx	3-CMC	NO	NO	None
+NIST	C37526888_IR_0.jdx	37526-88-8	NO	NO	None
+NIST	B6002264_IR_0.jdx	SODIUM GLUCOHEPTANATE	NO	NO	None
+NIST	C928734_IR_0.jdx	928-73-4	NO	NO	None
+ENFSI	#2837n - 4-Azaindole.jdx	4-Azaindole	NO	NO	None
+ENFSI	#2909n - 4-Azaindole.jdx	4-Azaindole	NO	NO	None
+NIST	C52704048_IR_0.jdx	52704-04-8	NO	NO	None
+NIST	C1518725_IR_0.jdx	1518-72-5	NO	NO	None
+NIST	C18704375_IR_0.jdx	18704-37-5	NO	NO	None
+NIST	C622877_IR_0.jdx	622-87-7	NO	NO	None
+NIST	C88942567_IR_0.jdx	3-(acetylsulfanyl)-4-methoxy-4-oxobutanoic acid	YES	NO	None
+ENFSI	#0103n - 6-Acetylcodeine HCl.jdx	6-Acetylcodeine	NO	YES	CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C
+SWGDRUG	#156 - Acetylcodeine HCl (Lot #AKF27A).JDX	Acetylcodeine	NO	YES	CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C
+ENFSI	#3687n - Cumyl-Cb-MeGaClone.jdx	Cumyl-Cb-MeGaClone	NO	NO	None
+NIST	C10405091_IR_0.jdx	2-(benzoylamino)-4-(benzoyloxy)butyl benzoate	YES	NO	None
+NIST	B6008358_IR_0.jdx	Ethanol, 2-[2-(9H-purin-6-ylamino)ethylthio]-	NO	NO	None
+NIST	C76153_IR_0.jdx	76-15-3	NO	NO	None
+NIST	C1920214_IR_0.jdx	1920-21-4	NO	NO	None
+NIST	C1920214_IR_1.jdx	1920-21-4	NO	NO	None
+NIST	C703560_IR_0.jdx	703-56-0	NO	NO	None
+NIST	B6000073_IR_0.jdx	BERYLLIUM OXALATE	NO	NO	None
+NIST	C13287495_IR_0.jdx	13287-49-5	NO	NO	None
+NIST	C2116849_IR_0.jdx	2116-84-9	NO	NO	None
+NIST	C73791261_IR_0.jdx	73791-26-1	NO	NO	None
+NIST	C469216_IR_0.jdx	469-21-6	NO	NO	None
+NIST	B6003351_IR_0.jdx	PIPERIDINIUM N,N-PENTAMETHYLENE-PHTHALAMATE	NO	NO	None
+NIST	C3739308_IR_0.jdx	3739-30-8	NO	NO	None
+NIST	C630024_IR_0.jdx	630-02-4	NO	NO	None
+NIST	C75649_IR_0.jdx	75-64-9	NO	NO	None
+NIST	C75649_IR_1.jdx	75-64-9	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	B6008481_IR_0.jdx	Acetanilide, 2-tert-butyl-6-methyl-	NO	NO	None
+ENFSI	#2606n - U-51754 HCl _ Methene-U-47700 HCl.jdx	U-51754	NO	YES	CN(C)C1CCCCC1N(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl
+SWGDRUG	#328 - U-51754 HCl (Lot #0505031-15).JDX	U-51754	NO	YES	CN(C)C1CCCCC1N(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl
+NIST	C66857178_IR_0.jdx	66857-17-8	NO	NO	None
+NIST	C116402734_IR_0.jdx	[1-(7H-purin-6-ylamino)cyclopentyl]methanethiol hydrochloride	YES	NO	None
+NIST	B6008723_IR_0.jdx	Pyrimido[5,4-e]-as-triazin-5[6H]-one, 1,2-dihydro-	NO	NO	None
+ENFSI	#2893n - MPPP base.jdx	MPPP	NO	NO	None
+ENFSI	#3685n - Desmethylprodine base.jdx	Desmethylprodine	NO	NO	None
+ENFSI	#3686n - Desmethylprodine.jdx	Desmethylprodine	NO	NO	None
+ENFSI	#4291n - MPPP base.jdx	MPPP	NO	NO	None
+ENFSI	#4292n - MPPP base.jdx	MPPP	NO	NO	None
+NIST	C90139632_IR_0.jdx	90139-63-2	NO	NO	None
+NIST	C3254895_IR_0.jdx	3254-89-5	NO	NO	None
+NIST	C728847_IR_0.jdx	728-84-7	NO	NO	None
+NIST	B6008692_IR_0.jdx	9H-Purine, 6-[(2-mercaptoethyl)thio]-, S-acetate	NO	NO	None
+NIST	C764136_IR_0.jdx	764-13-6	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#3783n - Fasoracetam.jdx	Fasoracetam	NO	NO	None
+ENFSI	#3784n - Fasoracetam.jdx	Fasoracetam	NO	NO	None
+ENFSI	#3786n - Fasoracetam.jdx	Fasoracetam	NO	NO	None
+NIST	C85381_IR_0.jdx	85-38-1	NO	NO	None
+NIST	B6005879_IR_0.jdx	1,2-PROPANEDIOL, 1-NITRATE-	NO	NO	None
+NIST	B6007388_IR_0.jdx	PURINE, 2,6-DIAMINO-, SULFATE, HYDRATE	NO	NO	None
+NIST	B6008323_IR_0.jdx	4H,6H-m-DIOXINO[4',5':5,6]PYRANO[4,3-d]-4-OXAZOLIN-2-ONE, HEXAHYDRO-4-METHOXY-1,8-DIPHENYL-	NO	NO	None
+NIST	C19975645_IR_0.jdx	4-hydroxy-4,5,5-trimethyl-1,3-thiazolidine-2-thione	YES	NO	None
+NIST	C116434947_IR_0.jdx	116434-94-7	NO	NO	None
+NIST	C5676824_IR_0.jdx	5676-82-4	NO	NO	None
+NIST	C22977884_IR_0.jdx	22977-88-4	NO	NO	None
+NIST	C50796719_IR_0.jdx	50796-71-9	NO	NO	None
+NIST	C728814_IR_0.jdx	728-81-4	NO	NO	None
+ENFSI	#2077n - 4-methylmethylphenidate base _ 4-Me-TMP base.jdx	4-methylmethylphenidate	NO	NO	None
+ENFSI	#2555n - 4-methylmethylphenidate base _ 4-Me-TMP base.jdx	4-methylmethylphenidate	NO	NO	None
+NIST	C1865016_IR_0.jdx	1865-01-6	NO	NO	None
+NIST	C20139553_IR_0.jdx	20139-55-3	NO	NO	None
+NIST	C41252975_IR_0.jdx	41252-97-5	NO	NO	None
+NIST	C39629271_IR_0.jdx	39629-27-1	NO	NO	None
+ENFSI	#3401n - Dibenzyloxalate.jdx	Dibenzyloxalate	YES	NO	None
+ENFSI	#3402n - Dibenzyloxalate.jdx	Dibenzyloxalate	YES	NO	None
+ENFSI	#3403n - Dibenzyloxalate.jdx	Dibenzyloxalate	YES	NO	None
+NIST	C16872507_IR_0.jdx	16872-50-7	NO	NO	None
+NIST	C5411552_IR_0.jdx	5411-55-2	NO	NO	None
+NIST	C112345_IR_0.jdx	112-34-5	NO	NO	None
+NIST	C112345_IR_1.jdx	112-34-5	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#2814n - Gramine.jdx	Gramine	NO	NO	None
+ENFSI	#2887n - Gramine.jdx	Gramine	NO	NO	None
+NIST	C98828_IR_0.jdx	98-82-8	NO	NO	None
+NIST	C98828_IR_1.jdx	98-82-8	NO	NO	None
+NIST	C19770924_IR_0.jdx	N-[4-nitro-3-(phenylsulfanyl)phenyl]benzamide	YES	NO	None
+NIST	C131566_IR_0.jdx	131-56-6	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C87876_IR_0.jdx	87-87-6	NO	NO	None
+NIST	C1470797_IR_0.jdx	1470-79-7	NO	NO	None
+ENFSI	#2568n - Dichloropane base _ RTI-111 base.jdx	Dichloropane	NO	NO	None
+NIST	C26901973_IR_0.jdx	26901-97-3	NO	NO	None
+NIST	C26901973_IR_1.jdx	26901-97-3	NO	NO	None
+NIST	C3299647_IR_0.jdx	3299-64-7	NO	NO	None
+NIST	C80740_IR_0.jdx	80-74-0	NO	NO	None
+NIST	C4447647_IR_0.jdx	4447-64-7	NO	NO	None
+NIST	C776352_IR_0.jdx	776-35-2	NO	NO	None
+NIST	C776352_IR_1.jdx	776-35-2	NO	NO	None
+ENFSI	#0812n - CP 55,940.jdx	CP 55,940	NO	NO	None
+NIST	C116435144_IR_0.jdx	allyl 2,3,6-trichlorophenyl ether	NO	NO	None
+NIST	C554847_IR_0.jdx	554-84-7	NO	NO	None
+NIST	C7735651_IR_0.jdx	7735-65-1	NO	NO	None
+NIST	B6005780_IR_0.jdx	UREA, AMIDINO-, SULFATE	NO	NO	None
+NIST	C627918_IR_0.jdx	627-91-8	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C3274291_IR_0.jdx	3274-29-1	NO	NO	None
+NIST	C116660254_IR_0.jdx	3-([1,1'-biphenyl]-2-yloxy)-2,5-dimethylpyrazine	YES	NO	None
+NIST	C2700303_IR_0.jdx	2700-30-3	NO	NO	None
+NIST	C10463204_IR_0.jdx	10463-20-4	NO	NO	None
+NIST	C18708708_IR_0.jdx	18708-70-8	NO	NO	None
+NIST	C1758889_IR_0.jdx	1758-88-9	NO	NO	None
+NIST	C1758889_IR_1.jdx	1758-88-9	NO	NO	None
+NIST	C2493847_IR_0.jdx	2493-84-7	NO	NO	None
+NIST	C40648962_IR_0.jdx	40648-96-2	NO	NO	None
+NIST	C39546800_IR_0.jdx	39546-80-0	NO	NO	None
+NIST	C2645365_IR_0.jdx	2645-36-5	NO	NO	None
+NIST	C4363977_IR_0.jdx	2-[4'-(4-carboxy-2-quinolinyl)[1,1'-biphenyl]-4-yl]-4-quinolinecarboxylic acid	YES	NO	None
+NIST	C294940_IR_0.jdx	294-94-0	NO	NO	None
+NIST	C5434242_IR_0.jdx	5434-24-2	NO	NO	None
+NIST	C591128_IR_0.jdx	591-12-8	NO	NO	None
+NIST	C591128_IR_1.jdx	591-12-8	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C2251505_IR_0.jdx	2251-50-5	NO	NO	None
+NIST	C116557983_IR_0.jdx	4-(1-piperidinylcarbonyl)-2,6-piperidinedione	YES	NO	None
+NIST	C95498_IR_0.jdx	95-49-8	NO	NO	None
+NIST	C95498_IR_1.jdx	95-49-8	NO	NO	None
+NIST	C95498_IR_2.jdx	95-49-8	NO	NO	None
+NIST	C623336_IR_0.jdx	623-33-6	NO	NO	None
+NIST	C623336_IR_1.jdx	623-33-6	NO	NO	None
+NIST	C2382969_IR_0.jdx	2382-96-9	NO	NO	None
+NIST	C542916_IR_0.jdx	542-91-6	NO	NO	None
+NIST	B6008383_IR_0.jdx	Uracil, 1-{p-[3-(2-chloroethyl)Ureido]Benzyl}-	NO	NO	None
+NIST	C1141373_IR_0.jdx	1141-37-3	NO	NO	None
+ENFSI	#1854n - Acetylfentanyl HCl.jdx	Acetylfentanyl	NO	YES	CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
+ENFSI	#1925n - Acetylfentanyl base.jdx	Acetylfentanyl	NO	NO	None
+ENFSI	#1955n - Acetylfentanyl base.jdx	Acetylfentanyl	NO	NO	None
+ENFSI	#1956n - Acetylfentanyl base.jdx	Acetylfentanyl	NO	NO	None
+SWGDRUG	#002 - Acetylfentanyl HCl (Lot #4541-886-149A).JDX	Acetylfentanyl	NO	YES	CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
+NIST	C32047895_IR_0.jdx	N,N-bis(4-methylphenyl)acetamide	YES	NO	None
+NIST	C629823_IR_0.jdx	629-82-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C651898_IR_0.jdx	651-89-8	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C119584_IR_0.jdx	119-58-4	NO	NO	None
+NIST	C17518433_IR_0.jdx	17518-43-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C2741380_IR_0.jdx	2741-38-0	NO	NO	None
+NIST	B6007194_IR_0.jdx	Metanilic acid, N-(2,4-dinitrophenyl)-6-hydroxy-, sodium salt	NO	NO	None
+NIST	C652460_IR_0.jdx	652-46-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C606213_IR_0.jdx	606-21-3	NO	NO	None
+NIST	C13908275_IR_0.jdx	13908-27-5	NO	NO	None
+NIST	C86668339_IR_0.jdx	86668-33-9	NO	NO	None
+NIST	C6629045_IR_0.jdx	6629-04-5	NO	NO	None
+NIST	C611972_IR_0.jdx	611-97-2	NO	NO	None
+NIST	C611972_IR_1.jdx	611-97-2	NO	NO	None
+ENFSI	#4767n - 1-(4-chlorophenyl)-2-methyl-3-(methylamino)propan-1-one.jdx	1-(4-chlorophenyl)-2-methyl-3-(methylamino)propan-1-one	YES	NO	None
+NIST	C26461687_IR_0.jdx	N-(2,4-ditert-butylphenyl)-N-methylamine	YES	NO	None
+NIST	C70075_IR_0.jdx	70-07-5	NO	NO	None
+NIST	B6000078_IR_0.jdx	SAMARIUM OXALATE	NO	NO	None
+NIST	C1818968_IR_0.jdx	1818-96-8	NO	NO	None
+NIST	C112378_IR_0.jdx	112-37-8	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	B6006897_IR_0.jdx	Purine, 2-amino-, nitrate	NO	NO	None
+ENFSI	#1105n - pethidine-HCl.jdx	pethidine	NO	YES	CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
+NIST	C50135_IR_0.jdx	50-13-5	NO	NO	None
+SWGDRUG	#536 - Meperidine HCl (Lot #BY-451).JDX	Meperidine	NO	YES	CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
+NIST	C434640_IR_0.jdx	434-64-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C40635663_IR_0.jdx	40635-66-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C30614734_IR_0.jdx	30614-73-4	NO	NO	None
+NIST	C4645152_IR_0.jdx	4645-15-2	NO	NO	None
+ENFSI	#1823n - 2C-P-NBOMe base.jdx	2C-P-NBOMe	NO	NO	None
+ENFSI	#2372n - 2C-P-NBOMe base.jdx	2C-P-NBOMe	NO	NO	None
+NIST	C5418100_IR_0.jdx	5418-10-0	NO	NO	None
+NIST	C209683341_IR_0.jdx	209683-34-1	NO	NO	None
+NIST	B6008321_IR_0.jdx	ADENINE, N-[2-[[2-(p-TOLYLTHIO)ETHYL]THIO]ETHYL]-	NO	NO	None
+ENFSI	#2205v - Griseofulvin.jdx	Griseofulvin	NO	NO	None
+NIST	C126078_IR_0.jdx	126-07-8	NO	NO	None
+SWGDRUG	#409 - Grifulvin (Lot #8593).JDX	Grifulvin	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C6339522_IR_0.jdx	6339-52-2	NO	NO	None
+NIST	C116660050_IR_0.jdx	6-benzyl-2-pyrazinyl phenyl ether	YES	NO	None
+NIST	B6003832_IR_0.jdx	GUANIDINE SULFATE	NO	NO	None
+ENFSI	#2610n - Etizolam base.jdx	Etizolam	NO	NO	None
+ENFSI	#3107n - Etizolam.jdx	Etizolam	NO	NO	None
+SWGDRUG	#139 - Etizolam (Lot #17313).JDX	Etizolam	NO	NO	None
+ENFSI	#3839n - 5-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylthiophene-2-carboxamide.jdx	5-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylthiophene-2-carboxamide	YES	NO	None
+ENFSI	#3841n - 5-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylthiophene-2-carboxamide.jdx	5-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylthiophene-2-carboxamide	YES	NO	None
+ENFSI	#3842n - 5-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylthiophene-2-carboxamide.jdx	5-(4-hydroxy-3-methoxyphenyl)-N-propan-2-ylthiophene-2-carboxamide	YES	NO	None
+NIST	C29237783_IR_0.jdx	29237-78-3	NO	NO	None
+NIST	C49656522_IR_0.jdx	49656-52-2	NO	NO	None
+NIST	C23896959_IR_0.jdx	bis(4-methylphenyl) chloromethylphosphonate	YES	NO	None
+SDBS	None	None	None	None	None
+NIST	B6009835_IR_0.jdx	2-Propanamine, 1-phenyl-, sulfate	NO	NO	None
+SWGDRUG	#450 - d-Amphetamine Sulfate (Lot #SFL-0029).JDX	d-Amphetamine Sulfate	NO	NO	None
+NIST	C5524572_IR_0.jdx	5524-57-2	NO	NO	None
+NIST	C5532901_IR_0.jdx	5532-90-1	NO	NO	None
+NIST	C3027381_IR_0.jdx	3027-38-1	NO	NO	None
+NIST	C364761_IR_0.jdx	364-76-1	NO	NO	None
+NIST	B6008205_IR_0.jdx	4-ImidazoleCarboxylic acid, 5-amino-, butyl ester, monohydrochloride	NO	NO	None
+NIST	C19897633_IR_0.jdx	19897-63-3	NO	NO	None
+NIST	C19897633_IR_1.jdx	19897-63-3	NO	NO	None
+NIST	B6004962_IR_0.jdx	2,6-DIMETHYL 1,4,6(7)-OCTATRIENE (CIS-6(7))	NO	NO	None
+SWGDRUG	#255 - Dromostanolone (Lot #G407).JDX	Dromostanolone	NO	NO	None
+NIST	C619330_IR_0.jdx	619-33-0	NO	NO	None
+NIST	C82053_IR_0.jdx	82-05-3	NO	NO	None
+NIST	C112356_IR_0.jdx	112-35-6	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C116401753_IR_0.jdx	S-[2-(octanoylamino)ethyl] octanethioate	YES	NO	None
+NIST	C13073295_IR_0.jdx	13073-29-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C20244193_IR_0.jdx	3-methyl-1H-indole hydrochloride	YES	NO	None
+NIST	B6008465_IR_0.jdx	ANILINE, 2-tert-BUTYL-5-METHYL-	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C17448963_IR_0.jdx	17448-96-3	NO	NO	None
+NIST	C53900326_IR_0.jdx	53900-32-6	NO	NO	None
+NIST	C55907614_IR_0.jdx	55907-61-4	NO	NO	None
+NIST	C55907614_IR_1.jdx	55907-61-4	NO	NO	None
+NIST	C5378314_IR_0.jdx	5378-31-4	NO	NO	None
+NIST	B6010447_IR_0.jdx	m-TOLUIC ACID, 4-(TRIFLUOROACETAMIDO)-	NO	NO	None
+NIST	C4351706_IR_0.jdx	4351-70-6	NO	NO	None
+NIST	C1120689_IR_0.jdx	1120-68-9	NO	NO	None
+NIST	C4513739_IR_0.jdx	4513-73-9	NO	NO	None
+NIST	C3178221_IR_0.jdx	3178-22-1	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C2300870_IR_0.jdx	2300-87-0	NO	NO	None
+NIST	C832644_IR_0.jdx	832-64-4	NO	NO	None
+NIST	C832644_IR_1.jdx	832-64-4	NO	NO	None
+NIST	C832644_IR_2.jdx	832-64-4	NO	NO	None
+NIST	C6262879_IR_0.jdx	6262-87-9	NO	NO	None
+NIST	C68882_IR_0.jdx	68-88-2	NO	NO	None
+NIST	C200263918_IR_0.jdx	methyl 3-hydroxyandrost-5-ene-17-carboxylate	NO	NO	None
+NIST	C1154592_IR_0.jdx	1154-59-2	NO	NO	None
+ENFSI	#0793n - Apinaca _ AKB48.jdx	Apinaca	NO	NO	None
+ENFSI	#0794n - Apinaca _ AKB48.jdx	Apinaca	NO	NO	None
+ENFSI	#1799v - Apinaca _ AKB48.jdx	Apinaca	NO	NO	None
+ENFSI	#3956n - AKB48.jdx	AKB48	NO	NO	None
+ENFSI	#3957n - AKB48.jdx	AKB48	NO	NO	None
+ENFSI	#3958n - AKB48.jdx	AKB48	NO	NO	None
+SWGDRUG	#050 - AKB48 (Lot #ALB222-12).JDX	AKB48	NO	NO	None
+NIST	C122792_IR_0.jdx	122-79-2	NO	NO	None
+NIST	C122792_IR_1.jdx	122-79-2	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#0706v - 2-DPMP HCl.jdx	2-DPMP	NO	YES	C1CCNC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
+ENFSI	#1399v - 2-DPMP HCl.jdx	2-DPMP	NO	YES	C1CCNC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
+ENFSI	#4770n - 2-DPMP HCl _ Desoxypipradrol HCl _ 2-Benzhydrylpiperidine HCl.jdx	2-DPMP	NO	YES	C1CCNC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
+NIST	C620882_IR_0.jdx	620-88-2	NO	NO	None
+NIST	C620882_IR_1.jdx	620-88-2	NO	NO	None
+NIST	B6009816_IR_0.jdx	Zinc, bis(2-benzothiazolethiolato)-	NO	NO	None
+NIST	C643947_IR_0.jdx	643-94-7	NO	NO	None
+NIST	B6001431_IR_0.jdx	SODIUM PHOSPHATE, TRIBASIC	NO	NO	None
+NIST	B6002381_IR_0.jdx	SODIUM PHOSPHATE, TRIBASIC-	NO	NO	None
+NIST	C4640668_IR_0.jdx	4640-66-8	NO	NO	None
+NIST	C110634_IR_0.jdx	110-63-4	NO	NO	None
+SWGDRUG	#664 - 1,4-Butanediol (Lot #13323ED).JDX	1,4-Butanediol	NO	NO	None
+NIST	C1335666_IR_0.jdx	1335-66-6	NO	NO	None
+NIST	C6276046_IR_0.jdx	6276-04-6	NO	NO	None
+NIST	C36137878_IR_0.jdx	36137-87-8	NO	NO	None
+NIST	B6002874_IR_0.jdx	1-CYCLOPENTADIENYL-5-PHENYL-1,1,3,3,5,5-HEXAMETHYL TRISILOXANE	NO	NO	None
+NIST	C7244771_IR_0.jdx	7244-77-1	NO	NO	None
+SWGDRUG	#644 - Boldenone Propionate  (Lot #3-SKR-31-2).JDX	Boldenone Propionate	NO	NO	None
+NIST	C3373102_IR_0.jdx	3373-10-2	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C7461792_IR_0.jdx	7461-79-2	NO	NO	None
+NIST	C7461792_IR_1.jdx	7461-79-2	NO	NO	None
+NIST	C41081907_IR_0.jdx	41081-90-7	NO	NO	None
+ENFSI	#1510n - 3-hydroxyphenazepam.jdx	3-hydroxyphenazepam	NO	NO	None
+ENFSI	#1511n - 3-hydroxyphenazepam.jdx	3-hydroxyphenazepam	NO	NO	None
+ENFSI	#3637n - 3-Hydroxyphenazepam.jdx	3-Hydroxyphenazepam	NO	NO	None
+ENFSI	#3638n - 3-Hydroxyphenazepam.jdx	3-Hydroxyphenazepam	NO	NO	None
+ENFSI	#3639n - 3-Hydroxyphenazepam.jdx	3-Hydroxyphenazepam	NO	NO	None
+NIST	C6343766_IR_0.jdx	6343-76-6	NO	NO	None
+NIST	C38939887_IR_0.jdx	38939-88-7	NO	NO	None
+NIST	C89634_IR_0.jdx	89-63-4	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C590476_IR_0.jdx	590-47-6	NO	NO	None
+NIST	C33527912_IR_0.jdx	33527-91-2	NO	NO	None
+NIST	C10324580_IR_0.jdx	10324-58-0	NO	NO	None
+NIST	C90978522_IR_0.jdx	methyl (2E)-2-[(dimethylamino)methylene]-4-methyl-3-pentenoate	YES	NO	None
+NIST	C3601670_IR_0.jdx	3601-67-0	NO	NO	None
+NIST	B6003244_IR_0.jdx	Alpha,Alpha-DICHLOROPROPIONIC ACID, DIETHYL AMINE SALT	NO	NO	None
+NIST	C104763817_IR_0.jdx	2-[(2-oxo-3-phenyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-1H-isoindole-1,3(2H)-dione	YES	NO	None
+NIST	C3209221_IR_0.jdx	3209-22-1	NO	NO	None
+NIST	C5392198_IR_0.jdx	5392-19-8	NO	NO	None
+NIST	C57576097_IR_0.jdx	57576-09-7	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C1081158_IR_0.jdx	1081-15-8	NO	NO	None
+NIST	C1081158_IR_1.jdx	1081-15-8	NO	NO	None
+NIST	C25633572_IR_0.jdx	25633-57-2	NO	NO	None
+NIST	C1317368_IR_0.jdx	1317-36-8	NO	NO	None
+NIST	C1131620_IR_0.jdx	1131-62-0	NO	NO	None
+NIST	C719595_IR_0.jdx	719-59-5	NO	NO	None
+ENFSI	#0850n - JWH-081 3-methoxynaphthyl isomer.jdx	JWH-081 3-methoxynaphthyl isomer	NO	NO	None
+NIST	C13256218_IR_0.jdx	13256-21-8	NO	NO	None
+NIST	C15299997_IR_0.jdx	15299-99-7	NO	NO	None
+NIST	C3956636_IR_0.jdx	3956-63-6	NO	NO	None
+NIST	C27063485_IR_0.jdx	27063-48-5	NO	NO	None
+NIST	C2991288_IR_0.jdx	2991-28-8	NO	NO	None
+NIST	C71173143_IR_0.jdx	71173-14-3	NO	NO	None
+NIST	C15872487_IR_0.jdx	15872-48-7	NO	NO	None
+NIST	C116401640_IR_0.jdx	116401-64-0	NO	NO	None
+NIST	C352283_IR_0.jdx	352-28-3	NO	NO	None
+NIST	C352283_IR_1.jdx	352-28-3	NO	NO	None
+ENFSI	#3133n - Mancozeb.jdx	Mancozeb	NO	NO	None
+NIST	B6003635_IR_0.jdx	5-HYDROXY-[2,2'-AZO-1,3,4-THIADIAZOLE]-5'-SULFONIC ACID, DIPOTASSIUM SALT	NO	NO	None
+NIST	B6007435_IR_0.jdx	ASPARTIC ACID, DIPHENYL ESTER, HYDROCHLORIDE	NO	NO	None
+NIST	C18643862_IR_0.jdx	18643-86-2	NO	NO	None
+NIST	C1073230_IR_0.jdx	1073-23-0	NO	NO	None
+NIST	C22315317_IR_0.jdx	22315-31-7	NO	NO	None
+NIST	C17362173_IR_0.jdx	17362-17-3	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#4513n - Ephinazone.jdx	Ephinazone	NO	NO	None
+ENFSI	#4514n - Ephinazone.jdx	Ephinazone	NO	NO	None
+ENFSI	#4515n - Ephinazone.jdx	Ephinazone	NO	NO	None
+NIST	C18937785_IR_0.jdx	18937-78-5	NO	NO	None
+NIST	C3125733_IR_0.jdx	3125-73-3	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C13907909_IR_0.jdx	13907-90-9	NO	NO	None
+NIST	C95932_IR_0.jdx	95-93-2	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C2045707_IR_0.jdx	2045-70-7	NO	NO	None
+SWGDRUG	#148 - 3-Fluoroethcathinone HCl (Lot #0435340-9).JDX	3-Fluoroethcathinone	NO	YES	CCNC(C)C(=O)C1=CC(=CC=C1)F
+NIST	C108703_IR_0.jdx	108-70-3	NO	NO	None
+NIST	C108703_IR_1.jdx	108-70-3	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C209052802_IR_0.jdx	209052-80-2	NO	NO	None
+NIST	C1574103_IR_0.jdx	1574-10-3	NO	NO	None
+SWGDRUG	#639 - N-Benzyl-3,4-dimethoxyamphetamine HCl  (Lot #0552554-10).JDX	N-Benzyl-3,4-dimethoxyamphetamine	NO	YES	CC(CC1=CC(=C(C=C1)OC)OC)NCC2=CC=CC=C2
+NIST	C28716532_IR_0.jdx	28716-53-2	NO	NO	None
+NIST	C1901264_IR_0.jdx	1901-26-4	NO	NO	None
+NIST	C1649463_IR_0.jdx	1649-46-3	NO	NO	None
+NIST	C40497709_IR_0.jdx	40497-70-9	NO	NO	None
+NIST	C661198_IR_0.jdx	661-19-8	NO	NO	None
+NIST	C97518_IR_0.jdx	97-51-8	NO	NO	None
+NIST	C97518_IR_1.jdx	97-51-8	NO	NO	None
+NIST	B6008431_IR_0.jdx	PYRIMIDINE, 2,5-BIS(TRIFLUOROACETAMIDO)-4,6-BIS(METHYLTHIO)-	NO	NO	None
+ENFSI	#1816n - 25E-NBOMe HCl.jdx	25E-NBOMe	NO	YES	CCC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC
+ENFSI	#2443n - 25E-NBOMe HCl.jdx	25E-NBOMe	NO	YES	CCC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC
+SWGDRUG	#058 - 25E-NBOMe HCl (Lot #N17-P97B).JDX	25E-NBOMe	NO	YES	CCC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC
+NIST	C1323031_IR_0.jdx	1323-03-1	NO	NO	None
+NIST	C336629_IR_0.jdx	336-62-9	NO	NO	None
+NIST	C580132_IR_0.jdx	580-13-2	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C7305104_IR_0.jdx	7305-10-4	NO	NO	None
+NIST	C17422741_IR_0.jdx	17422-74-1	NO	NO	None
+NIST	C122963_IR_0.jdx	122-96-3	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C687729_IR_0.jdx	2-sulfanyl-N-(2-[(2-sulfanylpropanoyl)amino]ethyl)propanamide	YES	NO	None
+SDBS	None	None	None	None	None
+NIST	C112641200_IR_0.jdx	112641-20-0	NO	NO	None
+NIST	C21667629_IR_0.jdx	21667-62-9	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	B6000477_IR_0.jdx	POTASSIUM SELENATE	NO	NO	None
+NIST	C140874_IR_0.jdx	140-87-4	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+ENFSI	#4271n - CUMYL-CBEICA.jdx	CUMYL-CBEICA	NO	NO	None
+ENFSI	#4272n - CUMYL-CBEICA.jdx	CUMYL-CBEICA	NO	NO	None
+ENFSI	#4274n - CUMYL-CBEICA.jdx	CUMYL-CBEICA	NO	NO	None
+NIST	C2253738_IR_0.jdx	2253-73-8	NO	NO	None
+NIST	B6009227_IR_0.jdx	Benzamidine, p-(3-isobutyl-3-methyltriazeno)-, hydrochloride	NO	NO	None
+NIST	C619238_IR_0.jdx	619-23-8	NO	NO	None
+NIST	B6009926_IR_0.jdx	ADENINE, 3-BENZYL-2-METHYL-, HYDROBROMIDE	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C4325820_IR_0.jdx	4325-82-0	NO	NO	None
+NIST	C23086433_IR_0.jdx	23086-43-3	NO	NO	None
+NIST	C624033_IR_1.jdx	624-03-3	NO	NO	None
+NIST	C624033_IR_2.jdx	624-03-3	NO	NO	None
+NIST	C692864_IR_0.jdx	692-86-4	NO	NO	None
+ENFSI	#3439n - 2-FMA base.jdx	2-FMA	NO	NO	None
+NIST	C93999883_IR_0.jdx	undecyl 2-nitrophenylcarbamate	YES	NO	None
+ENFSI	#1097v - paracetamol (4-acetaminophenol).jdx	paracetamol (4-acetaminophenol)	YES	NO	None
+NIST	C100845_IR_0.jdx	100-84-5	NO	NO	None
+NIST	C100845_IR_1.jdx	100-84-5	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C603532_IR_0.jdx	603-53-2	NO	NO	None
+NIST	C100144294_IR_0.jdx	100144-29-4	NO	NO	None
+NIST	C31148955_IR_0.jdx	31148-95-5	NO	NO	None
+NIST	B6009796_IR_0.jdx	Dicalcium phosphate, anhydrous	NO	NO	None
+NIST	C1470571_IR_0.jdx	1470-57-1	NO	NO	None
+NIST	C1470571_IR_1.jdx	1470-57-1	NO	NO	None
+NIST	C7783611_IR_0.jdx	7783-61-1	NO	NO	None
+NIST	C7783611_IR_1.jdx	7783-61-1	NO	NO	None
+NIST	C1736603_IR_0.jdx	1736-60-3	NO	NO	None
+NIST	C1599413_IR_0.jdx	1599-41-3	NO	NO	None
+NIST	C4399808_IR_0.jdx	4399-80-8	NO	NO	None
+NIST	C90225755_IR_0.jdx	90225-75-5	NO	NO	None
+NIST	C89852017_IR_0.jdx	89852-01-7	NO	NO	None
+NIST	C52287566_IR_0.jdx	52287-56-6	NO	NO	None
+SWGDRUG	#570 - Nitrazepam (Lot #27F0248).JDX	Nitrazepam	NO	NO	None
+NIST	C71818_IR_0.jdx	71-81-8	NO	NO	None
+ENFSI	#3227n - 5F-Cumyl-PeGACLONE.jdx	5F-Cumyl-PeGACLONE	NO	NO	None
+ENFSI	#3228n - 5F-Cumyl-PeGACLONE.jdx	5F-Cumyl-PeGACLONE	NO	NO	None
+ENFSI	#3229n - 5F-Cumyl-PeGACLONE.jdx	5F-Cumyl-PeGACLONE	NO	NO	None
+NIST	C6745751_IR_0.jdx	6745-75-1	NO	NO	None
+NIST	C7283694_IR_0.jdx	7283-69-4	NO	NO	None
+NIST	C7283694_IR_1.jdx	7283-69-4	NO	NO	None
+NIST	C7283694_IR_2.jdx	7283-69-4	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C134816_IR_0.jdx	134-81-6	NO	NO	None
+NIST	C134816_IR_1.jdx	134-81-6	NO	NO	None
+NIST	C602551_IR_0.jdx	602-55-1	NO	NO	None
+NIST	C602551_IR_1.jdx	602-55-1	NO	NO	None
+NIST	C14003340_IR_0.jdx	14003-34-0	NO	NO	None
+NIST	C2850773_IR_0.jdx	2850-77-3	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#4445n - 2F-viminol.jdx	2F-viminol	NO	NO	None
+ENFSI	#4446n - 2F-viminol base.jdx	2F-viminol	NO	NO	None
+NIST	C2530101_IR_0.jdx	2530-10-1	NO	NO	None
+NIST	C3122212_IR_0.jdx	3122-21-2	NO	NO	None
+NIST	C92875_IR_0.jdx	92-87-5	NO	NO	None
+NIST	C92875_IR_1.jdx	92-87-5	NO	NO	None
+NIST	C92875_IR_2.jdx	92-87-5	NO	NO	None
+NIST	C92875_IR_3.jdx	92-87-5	NO	NO	None
+SWGDRUG	#459 - Benzidine (Lot #18C0024).JDX	Benzidine	NO	NO	None
+NIST	B6003003_IR_0.jdx	1-CARBOXY-1'-CARBETHOXY FERROCENE	NO	NO	None
+ENFSI	#2922n - 4F-MT-45 base.jdx	4F-MT-45	NO	NO	None
+NIST	C70289393_IR_0.jdx	70289-39-3	NO	NO	None
+NIST	C110491719_IR_0.jdx	N-(2-tert-butyl-4,6-dimethylphenyl)acetamide	NO	NO	None
+NIST	C1073672_IR_0.jdx	1073-67-2	NO	NO	None
+NIST	C1073672_IR_1.jdx	1073-67-2	NO	NO	None
+NIST	B6009194_IR_0.jdx	AMMONIUM PRASEODYMIUM OXALATE, HYDRATE	NO	NO	None
+NIST	B6003516_IR_0.jdx	CIS-3-BENZOYL-4-PHENYL-1-METHYLPIPERDINE	NO	NO	None
+NIST	B6000765_IR_0.jdx	P-PHENYLENEDIAMINE, N,N'-DIETHYL-N,N'-DI-B-NAPHTHYL-	NO	NO	None
+NIST	C1509406_IR_0.jdx	6-(acetyloxy)-3a,5a-dimethyl-2-oxo-2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydrodicyclopenta[a,f]naphthalen-1-yl acetate	YES	NO	None
+NIST	B6001289_IR_0.jdx	VINYL CYCLOHEXENE MONOXIDE	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C16308922_IR_0.jdx	16308-92-2	NO	NO	None
+NIST	C27829727_IR_0.jdx	27829-72-7	NO	NO	None
+SDBS	None	None	None	None	None
+SDBS	None	None	None	None	None
+NIST	C2093041_IR_0.jdx	2093-04-1	NO	NO	None
+NIST	C122429_IR_0.jdx	122-42-9	NO	NO	None
+NIST	C2030833_IR_0.jdx	2030-83-3	NO	NO	None
+NIST	C7239238_IR_0.jdx	7239-23-8	NO	NO	None
+NIST	C108827_IR_0.jdx	108-82-7	NO	NO	None
+NIST	C55677979_IR_0.jdx	55677-97-9	NO	NO	None
+NIST	C58447691_IR_0.jdx	58447-69-1	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C51908293_IR_0.jdx	51908-29-3	NO	NO	None
+NIST	C1657609_IR_0.jdx	1657-60-9	NO	NO	None
+NIST	C94724_IR_0.jdx	94-72-4	NO	NO	None
+NIST	B6007052_IR_0.jdx	Methyl niobate(V)	NO	NO	None
+NIST	C29941820_IR_0.jdx	29941-82-0	NO	NO	None
+NIST	C868597_IR_0.jdx	868-59-7	NO	NO	None
+NIST	C3034488_IR_0.jdx	3034-48-8	NO	NO	None
+ENFSI	#0061n - 4-Ethylmethcathinone base _ 4-EMC base.jdx	4-Ethylmethcathinone	NO	NO	None
+ENFSI	#2434n - 4-Ethylmethcathinone base _ 4-EMC base.jdx	4-Ethylmethcathinone	NO	NO	None
+NIST	C7300030_IR_0.jdx	7300-03-0	NO	NO	None
+NIST	C17709954_IR_0.jdx	17709-95-4	NO	NO	None
+NIST	C15208307_IR_0.jdx	8,13-dioxo-N-phenyl-8,13-dihydrobenzo[5,6]indolo[2,1-a]isoquinoline-14-carboxamide	YES	NO	None
+NIST	C14676290_IR_0.jdx	14676-29-0	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C63126487_IR_0.jdx	63126-48-7	NO	NO	None
+NIST	C117882221_IR_0.jdx	terephthalaldehyde bis[(2,4-dinitrophenyl)hydrazone]	NO	NO	None
+NIST	C10270334_IR_0.jdx	10270-33-4	NO	NO	None
+NIST	C13632945_IR_0.jdx	13632-94-5	NO	NO	None
+NIST	C4763400_IR_0.jdx	4763-40-0	NO	NO	None
+NIST	C1861321_IR_0.jdx	1861-32-1	NO	NO	None
+NIST	C24480306_IR_0.jdx	24480-30-6	NO	NO	None
+NIST	C4116932_IR_0.jdx	4116-93-2	NO	NO	None
+SDBS	None	None	None	None	None
+SWGDRUG	#324 - O3-Monoacetylmorphine Sulfamate (Lot #N14-P63B).JDX	O3-Monoacetylmorphine Sulfamate	YES	NO	None
+NIST	B6009107_IR_0.jdx	4-Aza-5Alpha-cholestane chloride, 3Beta-benzyl-4,4-dimethyl-, monohydrate	NO	NO	None
+NIST	C103606_IR_0.jdx	103-60-6	NO	NO	None
+ENFSI	#2866n - 4-Methyldiethcathinone HCl.jdx	4-Methyldiethcathinone	NO	YES	CCN(CC)C(C)C(=O)C1=CC=C(C=C1)C
+NIST	C463490_IR_0.jdx	463-49-0	NO	NO	None
+NIST	C463490_IR_1.jdx	463-49-0	NO	NO	None
+SWGDRUG	#247 - Yangonin (Lot #10793).JDX	Yangonin	NO	NO	None
+NIST	B6002265_IR_0.jdx	SODIUM GALACTONATE	NO	NO	None
+NIST	B6006383_IR_0.jdx	Gluconic acid, sodium salt	NO	NO	None
+NIST	C5586152_IR_0.jdx	5586-15-2	NO	NO	None
+NIST	C2909822_IR_0.jdx	2909-82-2	NO	NO	None
+NIST	C6876660_IR_0.jdx	6876-66-0	NO	NO	None
+NIST	C84719_IR_0.jdx	84-71-9	NO	NO	None
+NIST	B6000452_IR_0.jdx	LEAD METABORATE	NO	NO	None
+NIST	C2265932_IR_0.jdx	2265-93-2	NO	NO	None
+NIST	C1674335_IR_0.jdx	1674-33-5	NO	NO	None
+NIST	B6006372_IR_0.jdx	TANNIC ACID	NO	NO	None
+NIST	C119415973_IR_0.jdx	1-(2,4-cyclopentadien-1-yl)-1,1,3,3,3-pentamethyldisiloxane	YES	NO	None
+NIST	C15907854_IR_0.jdx	15907-85-4	NO	NO	None
+NIST	C19780600_IR_0.jdx	19780-60-0	NO	NO	None
+NIST	C538396_IR_0.jdx	538-39-6	NO	NO	None
+NIST	C5441407_IR_0.jdx	5441-40-7	NO	NO	None
+ENFSI	#2505n - TDIQ HCl.jdx	TDIQ	NO	NO	None
+NIST	B6005341_IR_0.jdx	Propionitrile, 3-amino-, fumarate	NO	NO	None
+NIST	B6007237_IR_0.jdx	PROPIONITRILE, 3-AMINO-, FUMARATE	NO	NO	None
+NIST	C111342_IR_0.jdx	111-34-2	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C50262776_IR_0.jdx	50262-77-6	NO	NO	None
+NIST	C56534022_IR_0.jdx	56534-02-2	NO	NO	None
+NIST	C4268364_IR_0.jdx	4268-36-4	NO	NO	None
+NIST	C4268364_IR_1.jdx	4268-36-4	NO	NO	None
+NIST	C616251_IR_0.jdx	616-25-1	NO	NO	None
+SDBS	None	None	None	None	None
+NIST	C5729066_IR_0.jdx	5729-06-6	NO	NO	None
+NIST	C7367784_IR_0.jdx	7367-78-4	NO	NO	None
+SDBS	None	None	None	None	None
+ENFSI	#2599n - MMDA-2 base.jdx	MMDA-2	NO	NO	None
+NIST	C123819_IR_0.jdx	123-81-9	NO	NO	None
+NIST	C299865_IR_0.jdx	299-86-5	NO	NO	None
+NIST	C769391_IR_0.jdx	769-39-1	NO	NO	None
+NIST	C769391_IR_1.jdx	769-39-1	NO	NO	None
+NIST	C769391_IR_2.jdx	769-39-1	NO	NO	None
+NIST	C2128930_IR_0.jdx	2128-93-0	NO	NO	None
+NIST	C2128930_IR_1.jdx	2128-93-0	NO	NO	None
+NIST	C86240213_IR_0.jdx	86240-21-3	NO	NO	None
+NIST	C7017165_IR_0.jdx	7017-16-5	NO	NO	None
+ENFSI	#2532n - JWH-308.jdx	JWH-308	NO	NO	None
+ENFSI	#2533n - JWH-308.jdx	JWH-308	NO	NO	None
+NIST	B6000359_IR_0.jdx	DIMETHYLAMINE BORANE	NO	NO	None
+NIST	B6003070_IR_0.jdx	POTASSIUM PYROSULFATE	NO	NO	None
+NIST	C201849141_IR_0.jdx	201849-14-1	NO	NO	None
+SWGDRUG	#759 - Butorphanol tartrate (Lot #K1L363).JDX	Butorphanol tartrate	NO	NO	None
+NIST	C79630232_IR_0.jdx	79630-23-2	NO	NO	None
+ENFSI	#2379n - 25I-NBF HCl.jdx	25I-NBF	NO	YES	COC1=CC(=C(C=C1CCNCC2=CC=CC=C2F)OC)I
+NIST	C175136706_IR_0.jdx	175136-70-6	NO	NO	None
+SWGDRUG	#469 - Amitriptyline HCl (Lot #31K1578).JDX	Amitriptyline	NO	YES	CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
+NIST	C116659791_IR_0.jdx	4-nonylphenyl 3-pentyl-2-pyrazinyl ether	YES	NO	None
+NIST	C6710436_IR_0.jdx	6710-43-6	NO	NO	None
+NIST	C21038675_IR_0.jdx	21038-67-5	NO	NO	None
+NIST	C5690244_IR_0.jdx	5690-24-4	NO	NO	None
+NIST	C29743188_IR_0.jdx	29743-18-8	NO	NO	None
+NIST	C50609159_IR_0.jdx	50609-15-9	NO	NO	None
+NIST	C6609398_IR_0.jdx	6609-39-8	NO	NO	None

Multi-stage training data/Stage III- EXP/EB/val_smiles.txt

@@ -1,1203 +1,1245 @@
-Cc1cc(O)c(CCCCC(C)(C)C)cc1C(C)c1cc(CCCCC(C)(C)C)c(O)cc1C
-O=C(O)COCC(=O)O
-OC(COCC(=O)O)=O
-N#CC1=C(c2ccccc2)OC(C(=O)c2ccccc2)CC1
-CCCCCCc1nccnc1N(C)c1ccccc1
-CC(CN(C)C)C12C(=O)OC3(C)CCC(C1C3)C(C)(C)OC2=O
-CC(=N)N
-NCCO
-OCCN
-C(CO)N
-OCCN
-C(CN)O
-OCCN
-CC(=O)/C=C(\O)C(F)(F)F
-CC1CC(C)NC(C)C1
-CC1CC(C)CC(C)N1
-Cc1ncc(CCN)c(N)n1
-NNC(=O)CC(NN)C(=O)O
-Cc1ccc(NC2CCCCC2)c(C2CCCCC2)c1
-OCCN(CCO)c1ncnc2c1ncn2Cc1ccccc1
-O=c1cc(O)c2ccccc2[nH]1
-c1cc2[nH]c(=O)cc(O)c2cc1
-CCCCC(N)C(=O)O
-C(CC)CC(N)C(O)=O
-c1ccc(Nc2ccccn2)nc1
-c1ccnc(Nc2ncccc2)c1
-CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)N
-CCCCCC1OC1C/C=C\CCCCCCCC(=O)OC
-COC(=O)C(O)(C1CC1)C1CC1
-CC(=O)c1ccc([N+](=O)[O-])cc1
-C=C/C=C/CC=C
-CCc1ccccc1
-c1(CC)ccccc1
-c1(CC)ccccc1
-C(c1ccccc1)C
-c1(CC)ccccc1
-c1ccc(CC)cc1
-c1ccccc1CC
-c1(CC)ccccc1
-c1ccccc1CC
-c1ccccc1CC
-c1cccc(CC)c1
-c1ccccc1CC
-c1(CC)ccccc1
-c1cc(CC)ccc1
-c1c(CC)cccc1
-c1ccccc1CC
-c1ccccc1CC
-c1(CC)ccccc1
-c1ccc(CC)cc1
-c1(CC)ccccc1
-c1cc(CC)ccc1
-c1ccc(CC)cc1
-c1ccccc1CC
-c1c(CC)cccc1
-c1ccccc1CC
-c1ccccc1CC
-c1cc(CC)ccc1
-c1(CC)ccccc1
-c1(CC)ccccc1
-c1ccccc1CC
-CCNc1ncncc1N
-CC1COCC(C)O1
-CCCCOC(=O)CCCCCC(CC)C(=O)OCCCC
-Cn1nc(-c2ccccc2)cc1N
-CCCCC(CC)CCC(C)O
-C(CCC(CCC(C)O)CC)C
-O=C(/C=C/c1ccccc1)OCc1ccccc1
-O=C(C=Cc1ccccc1)OCc1ccccc1
-CCCc1ccccc1
-c1cc(CCC)ccc1
-C(C)Cc1ccccc1
-O=CNc1ccccc1
-O=C=Nc1ccccc1
-c1ccc(N=C=O)cc1
-CC12CCC(C(=O)C1=O)C2(C)C
-NN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
-CNc1ccccc1C(=O)Nc1cc(OC)c(OC)c(OC)c1
-c1ccc(NCCCNc2ccccc2)cc1
-CCN(CC)CCCN
-C(CCN(CC)CC)N
-C(C)N(CCCN)CC
-CCOC(=O)CC(=O)OCC
-C(=O)(CC(OCC)=O)OCC
-C(C)OC(=O)CC(=O)OCC
-CN(CCO)CCO
-OCCN(C)CCO
-OCCN(C)CCO
-N(CCO)(C)CCO
-CCC(=O)OCCC(C)C
-C(OC(CC)=O)CC(C)C
-CC(=O)c1cc(C)oc1C
-CCCCCCCCCCCC(=O)OCC
-C(CCCCC(OCC)=O)CCCCCC
-Nc1ccc(N)cc1
-c1c(N)ccc(N)c1
-CCC#N
-C=CC#N
-C(=C)C#N
-C(C#N)=C
-C(#N)C=C
-N#CC=C
-C(C=C)#N
-C(=C)C#N
-C(#N)C=C
-C(C#N)=C
-C(=C)C#N
-C(C=C)#N
-C(=C)C#N
-C(C=C)#N
-N#CC=C
-N#CC=C
-C(#N)C=C
-N#CC=C
-C(C#N)=C
-C(C#N)=C
-C(#N)C=C
-N#CC=C
-C(=C)C#N
-C(C#N)=C
-C(=C)C#N
-C(#N)C=C
-C(#N)C=C
-N#CC=C
-C(C#N)=C
-CCCc1ccc(C)cc1
-c1(C)ccc(CCC)cc1
-C(CC)c1ccc(C)cc1
-CCCC(C)C
-C(C(C)C)CC
-C(CC(C)C)C
-C(C)(C)CCC
-CC(O)CN(C)C
-CC1CCCCC1
-C1(C)CCCCC1
-C1CCCCC1C
-O=C(c1ccc(-c2ccc(C(=O)C(O)O)cc2)cc1)C(O)O
-CCCCCCCCCCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1
-CC(=O)CCC(C)=O
-C(C(=O)C)CC(C)=O
-Cc1cc(C)c(NC(=O)c2ccc3ccccc3c2O)c(C)c1
-CC(=O)Nc1c(C)cc(C)cc1C(C)(C)C
-OCCCCO
-C(CCCO)O
-CCNCCO
-N(CCO)CC
-CC(CO)OC(C)CO
-C(O)C(OC(C)CO)C
-O=C(O)CCCCCCCCC(=O)O
-C(CCCCC(=O)O)CCCC(=O)O
-CCCCCCCN
-CCCCCCCCC
-C(CC)CCCCCC
-C(CCCCC)CCC
-C=C(C)C=CC
-C(C)(C=CC)=C
-C=C(C)/C=C/C
-CC1CCOC(=O)C1
-CC(=O)c1ccncc1
-CCCc1ccncc1
-O=C(O)CC1CCCC1
-CC1(C)CC(=O)NC(=O)C1
-CCCCCCCCCCCCCO
-C(CCO)CCCCCCCCCC
-C(CCCCO)CCCCCCCC
-CCCCCCOc1ccc(C(=O)O)cc1
-CCC1(C)OC(=O)N(C)C1=O
-C1(=O)OC(CC)(C)C(=O)N1C
-C/C(=C/CC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C)CO
-CCC(CC)(CO)CO
-OC1C2CCC(C2)C1CN1CCOCC1
-c1ccc(CNCC2CC2)cc1
-CCCCCCCCC(=O)OC1C(C)(C)C(O)C1(C)C
-COC(=O)c1[nH]cnc1N
-CCCCCCCCCc1ccc(Oc2nccnc2Cc2ccc(Oc3ccccc3)cc2)cc1
-CCOC(=O)CC(NC(=O)NC(CC(=O)OCC)C(=O)OCC)C(=O)OCC
-C#CCOc1ccc(C)cc1C
-C=CCC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1
-CN(CCC(CNC(N)=O)(c1ccccc1)c1ccccc1)Cc1ccco1
-Cc1ccc2c(c1)C1(CCN(Cc3ccccc3)CC1)C(=O)O2
-CCCCC(CCCC)c1nccnc1N(C)c1ccccc1
-CCCCCCCCCc1cnc(C)cn1
-CCOC(=O)CCN1CCC(O)(c2ccccc2)CC1
-CCOC(=O)CCNC(=O)NCCC(=O)OCC
-COCCOC(=O)c1ccccc1C(=O)OCCOC
-C(COC(=O)c1c(C(OCCOC)=O)cccc1)OC
-C=CCC(C)(O)CCC
-C[C@@H]1CCC[C@@H]1C
-CC1CCCC1C
-C1CC(C)C(C)C1
-C1(C)C(C)CCC1
-COc1ccc(OC)c(C(C)=O)c1
-c1(OC)ccc(OC)cc1C(=O)C
-COc1ccc(CCN)cc1OC
-c1(CCN)ccc(OC)c(OC)c1
-O(c1ccc(CCN)cc1OC)C
-c1(OC)cc(CCN)ccc1OC
-c1(OC)cc(CCN)ccc1OC
-CC(=O)NCCc1ccc(O)cc1
-COc1ccc(C2(C#N)CCCC2)cc1
-Oc1ccccc1C=NCCCN=Cc1ccccc1O
-c1ccc2[nH]ccc2c1
-CCN(CC)CC
-N(CC)(CC)CC
-C(N(CC)CC)C
-C(C)N(CC)CC
-NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
-C=COC(=O)CCC
-CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
-C(CCCCCCCCCCCCC(OCC(O)CO)=O)CCCC
-CCCCCCCCCCCCCCCCCC(=O)OCCCC
-C(CCCCC(OCCCC)=O)CCCCCCCCCCCC
-CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)O
-C[C@@]1(C(O)=O)CC[C@H](C(=O)O)C1(C)C
-O=C(O)C1=CC=C[CH]1
-CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
-Oc1ccc(F)cc1C(F)(F)F
-Cc1cccc(C(=O)NN)c1
-c1ccc2c3c(oc2c1)CCCC3
-O=Nc1c(O)ccc2ccccc12
-CC1(C)C(=O)C2CCC1C2
-CCOC(=O)c1ccc(NCC(O)CN2C(=O)c3ccccc3C2=O)cc1
-C=CC(=O)NCc1ccccc1
-CCC(O)c1ccccc1
-c1ccccc1C(CC)O
-c1c(C(CC)O)cccc1
-C(CC)(c1ccccc1)O
-CCOC(=O)C(=O)CC(=O)C(C)(C)C
-Cc1ccc2n[nH]nc2c1
-Nc1ncnc2cn[nH]c12
-NC(=O)NCCF
-CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC
-CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC
-CC1CC2OC2CC1COC(=O)C1CC2OC2CC1C
-NNC(Cc1ccccc1)C(=O)O
-C1=CCCC1
-CCNCc1ccccc1
-c1cc(CNCC)ccc1
-CCCCCCCCCC(=O)N(C)C
-CCCCCCCCCCCCCCCCCO
-C(CCCCCCCCCCCCC)CCCO
-CCCCC1(O)CCCC1
-O=C1NC(=O)C2=C1CCCC2
-CC1(C)C(O)C2(CCCCC2)C1N1CCCCC1
-C#CCCCC#N
-OCC#Cc1ccccc1
-Nc1nc(C(F)(F)F)cc(=O)[nH]1
-C=Cc1ccc(N)cc1
-OCc1c(F)cccc1C(F)(F)F
-O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1
-c1ccc(OC(=O)c2ccccc2)c([N+]([O-])=O)c1
-Cn1c(=O)c2nc([N+](=O)[O-])n(C)c2n(C)c1=O
-COC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
-CCC(C)(O)c1ccccc1
-CCC(c1ccccc1)(C)O
-C=C/C=C\C
-C=C/C=C/C
-C=CC=CC
-CCCC(C)CC(C)CC
-COC(=O)CC(O)(CC(=O)OC)C(=O)OC
-O(C)C(C(CC(=O)OC)(CC(OC)=O)O)=O
-CC(=O)/C=C/C=C(C)C
-CCCCCN(C)/N=C/c1cc([N+](=O)[O-])ccc1O
-COC(C)(C)C
-C(C)(OC)(C)C
-O(C)C(C)(C)C
-C(C)(OC)(C)C
-O(C)C(C)(C)C
-O(C(C)(C)C)C
-CC(OC)(C)C
-C(C)(C)(OC)C
-C(C)(C)(OC)C
-CC(C)(C)OC
-O(C(C)(C)C)C
-C(C)(C)(OC)C
-CC(OC)(C)C
-CC(C)(C)OC
-CC(C)(OC)C
-C(OC)(C)(C)C
-CC(C)(C)OC
-O(C(C)(C)C)C
-C(C)(C)(OC)C
-C(C)(C)(C)OC
-O(C)C(C)(C)C
-CC(OC)(C)C
-C(C)(OC)(C)C
-O(C)C(C)(C)C
-CC(C)(OC)C
-C(C)(C)(C)OC
-CC(C)(OC)C
-CC(=O)c1c(C)cc(C)cc1C
-c1c(C)c(C(C)=O)c(C)cc1C
-C=C(C)C(C)CCC
-CC1CCC(C(C)C)CC1
-C(C1CCC(C)CC1)(C)C
-CCOC1OC(=O)c2ccccc21
-C=CC(=C)CCCC(=C)C
-COc1cc(CC#N)ccc1OCc1ccccc1
-CC(C)C(=O)Nc1nc2ccccc2[nH]1
-FC(F)(F)c1cc(-n2cccc2)cc(C(F)(F)F)c1
-O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
-CC(=O)c1cn(C(C)=O)c2ccccc12
-CCc1cc(C)ccc1C
-Cc1c(CC)cc(C)cc1
-CCOC(=O)c1cc2ccccc2oc1=O
-Cc1ccc(/C=C/C(=O)O)cc1
-Cc1ccc(C=CC(=O)O)cc1
-CC(=O)c1ccc(N(C)C)cc1
-c1c(C(C)=O)ccc(N(C)C)c1
-c1ccc2c(c1)c1ccccc1c1c3ccccc3c3ccccc3c21
-N#Cc1cc(O)cc(O)c1
-OCCN=Cc1ccccc1O
-c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c54
-C/C=C/CCCCCCC
-C/C=C\CCCCCCC
-C(/C=C\C)CCCCCC
-CC(C)(C)c1ccccc1NC1CCCCC1
-c1cc(C(C)(C)C)c(NC2CCCCC2)cc1
-CC(=O)c1ccc2ccc3ccccc3c2c1
-CCC(=O)NNc1ccccc1
-O=C(c1ccccc1)c1cccc(F)c1F
-CCOc1ccccc1C(=O)NN
-Cc1ccc(COC(=O)c2ccc(C)cc2)cc1
-COc1ccc(OC)c(C(C)(C)C)c1
-COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1
-c1c(CN2C(=O)c3ccccc3C2=O)ccc(OC)c1
-CCCCCCCCCCCCCCOCCO
-CC(C)c1cc(C(C)C)c(N)c(C(C)C)c1
-C[C@@H]1CCC[C@@H](C)C1
-CC1CCCC(C)C1
-C[C@@H]1CCC[C@H](C)C1
-C1C(C)CC(C)CC1
-C1CC(C)CC(C)C1
-O=C(O)c1ccc(Oc2ccccc2)cc1
-CCN(CC)c1ccccc1[N+](=O)[O-]
-CCCC1(CCC)C(=O)NC(=O)NC1=O
-CC12CCC(C([N+](=O)[O-])C1=O)C2(C)C
-CNc1ccncn1
-Nc1cnc(N)nc1
-CNC(=O)Oc1cccc2c1OC(C)(C)O2
-CC(C=O)N1C(=O)c2ccccc2C1=O
-C1=NC2CC2c2ccccc21
-CCc1nc(C)cn1CCC#N
-OC(c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
-CCCCCCCCCC(C)C(=O)O
-OC1CCC(C2CCCCC2)CC1
-C1CCCC(C2CCC(O)CC2)C1
-CCN(CC)CCNCCN
-COC(=O)/N=N/C(=O)OC
-O=Cc1cccc(O)c1O
-CC(C)CN(CC#N)CC(C)C
-CCCCCc1ccc(C(=O)O)cc1
-Nc1ccccc1Oc1ccccc1
-CCc1cc2c3ccccc3ccc2c2ccccc12
-C#CCF
-C#CC1(O)CCCCCC1
-c1ccc(Cc2cnccn2)cc1
+CC(=O)NCCc1ccccc1
+CCc1ccc(C(=O)O)cc1
+O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1
+CCNC(CC)C(=O)c1ccc2c(c1)OCO2.Cl
+CCC(C(c1ccc2c(c1)OCO2)=O)NCC.Cl
+Cl.c1c2c(ccc1C(=O)C(CC)NCC)OCO2
+CCC(C(=O)c1ccc2c(c1)OCO2)NCC.Cl
+CCCCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21
+C(C(N)=O)(C(C)(C)C)NC(=O)c1nn(CCCCCC)c2c1cccc2
+c1ccc2sc(NCCSSCCNc3nc4ccccc4s3)nc2c1
+CC1CCCCN1CCCO
+CCOP(=O)(OCC)C(C)C(N)=O
+Nc1ncnc2c1cnn2-c1ccccc1
+O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
+CCOC(=O)Cc1nc(Cl)nc(N)c1[N+](=O)[O-]
+COC(=O)/C=C/c1cccnc1
+O=C(O)[C@@H]1CC[C@H]1C(=O)O
+O=C(O)C(Cl)=C(Cl)Cl
 Cc1nn(C)c(C)c1N
-Cc1ccc(CC#N)cc1
-c1(CC#N)ccc(C)cc1
-CCCCCC1CCCCC1
-C1(CCCCC)CCCCC1
-C(C1CCCCC1)CCCC
-CCN(CC)CC#N
-C(CN(CC)CC)#N
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+CCCCCCCCCC(=O)CCCC
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+Cc1c([N+](=O)O)cccc1[N+](=O)O
+C[Si]1(c2ccccc2)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O1
+FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)Cl
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+CCN(CC)CCO
+N(CCO)(CC)CC
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+CC(=O)CCCCC(=O)O
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+c1ccc(C(C)=O)c(OC)c1
 Cc1cc(C)c(Br)c(C)c1
 c1c(C)c(Br)c(C)cc1C
-CCNc1nc(CC)nc(Cl)c1N
-CCCCC(Br)C(=O)O
-C(O)(=O)C(Br)CCCC
-BrC(C(O)=O)CCCC
-CCOP(=O)(CN1CCOCC1)OCC
-ClC(Cl)(Cl)C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1
-C[Si](C)(O[Si](C)(C)c1ccccc1)C1=CC=CC1
-c1([Si](O[Si](C)(C2=CC=CC2)C)(C)C)ccccc1
+C=CCc1cccc(Cl)c1O
+CCCCCCCCOC(=O)CS
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+CCCCCCCCCCCCCC(=O)CCC
+O=[N+](O)c1ccccc1[N+](=O)O
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+CC(C)CC(C)(C)CCOC(=O)CCCCC(=O)OCCC(C)(C)CC(C)C
+C=COC1CCCCC1
+O=C(O)C1CCCC1
+CC(O)c1cc(Cl)ccc1Cl
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+CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C
+CCOC(=O)C(C#N)=C1CCCCCC1
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+Cl.O=C(c1cccc2ccccc12)c1nc2ccccc2n1CCCCCF
+[Cl-].[Cl-].c1ccc(SCC[NH2+]CCSSCC[NH2+]CCSc2ccccc2)cc1
+C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C
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+OCc1cccnc1
+O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.[NH3+]CCCC([NH3+])C(=O)[O-]
+O=Cc1c(O)ccc2ccc(O)cc12
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+CC=CC=CC(=O)OCCC
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+CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)cc1C
+Nc1c(Br)cc(Br)c(Cl)c1Cl
+CC.CCCCCCCCCCCCCCCCCC(=O)OC
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+Nc1c(Cl)ncnc1NNC(=O)OCc1ccccc1
+NCC(=O)[O-].NCC(=O)[O-].[Mg+2]
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+COc1ccccc1NC(=O)c1cc2ccccc2cc1O
+O=[N+]([O-])c1cc(Br)c(O)c(Br)c1
+Cc1ccc2ccc3cccc4ccc1c2c34
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+NC(=O)N/N=C/C(=O)O
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+C(O[C@@H]1[C@H]2[C@@]34[C@H]([C@@H](Cc5ccc(OC)c(c53)O2)N(C)CC4)C=C1)(=O)C.Cl
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+FC(F)(F)C(F)(F)Cl
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+O=C1OCCN1c1ccccc1
+O=C([O-])C(=O)[O-].[Be+2]
+N#CSCc1ccc([N+](=O)[O-])cc1
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+CN(C)CCOC(C)(c1ccccc1)c1ccccn1
+C1CC[NH2+]CC1.O=C([O-])c1ccccc1C(=O)N1CCCCC1
+CCC(C)(O)C(=O)O
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC
+CC(C)(C)N
+C(C)(C)(C)N
+CC(N)(C)C
+CC(=O)Nc1c(C)cccc1C(C)(C)C
+CN(C)C1CCCCC1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
+Cl.C1CCCC(N(C)C(=O)Cc2cc(Cl)c(Cl)cc2)C1N(C)C
+O=C(CCCO)NCCO
+Cl.SCC1(Nc2ncnc3nc[nH]c23)CCCC1
+O=c1[nH]cnc2c1N=CNN2
+CCC(=O)OC1(c2ccccc2)CCN(C)CC1
+C(CC)(OC1(c2ccccc2)CCN(C)CC1)=O
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+N1(C)CCC(OC(CC)=O)(c2ccccc2)CC1
+CC(Cl)(Cl)C(=O)OCCO
+Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
+O=C(c1ccccc1)C(Br)C(=O)c1ccccc1
+CC(=O)SCCSc1ncnc2nc[nH]c12
+CC(C)=CC=C(C)C
+C(C=C(C)C)=C(C)C
+O=C1CC[C@H](C(=O)N2CCCCC2)N1
+C1CN(C(=O)[C@@H]2NC(=O)CC2)CCC1
+C1CN(C([C@H]2CCC(=O)N2)=O)CCC1
+O=C(O)c1cccc([N+](=O)[O-])c1O
+CC(O)CO[N+](=O)[O-]
+Nc1nc(N)c2[nH]cnc2n1.Nc1nc(N)c2[nH]cnc2n1.O.O=S(=O)(O)O
+COC1OC2COC(c3ccccc3)OC2C2C1OC(=O)N2c1ccccc1
+CC1(O)NC(=S)SC1(C)C
+Clc1ccc2c(Cl)cc(-c3ccccc3)nc2c1
+O=[N+]([O-])c1cccc(C=Nc2ccccc2)c1
+CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1Cl
+O=C(NNC(=O)c1ccccc1Br)c1ccccc1Br
+O=C(c1ccccc1)c1cccc(C(F)(F)F)c1
+COC(=O)[C@H](c1ccc(C)cc1)[C@@H]1CCCCN1
+[C@H]1([C@H](C(OC)=O)c2ccc(C)cc2)NCCCC1
+O=COc1ccc([N+](=O)[O-])cc1
+CC(=O)CC(=O)Nc1ccc(Cl)cc1C
+Cc1ccc(I)cc1[N+](=O)[O-]
+CCC1C(=O)N(c2ccccc2)C1c1ccccc1
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+O(Cc1ccccc1)C(=O)C(OCc1ccccc1)=O
+CNC(=O)N1CCN(N=O)C1=O
+CCCCCOC(=O)CCl
+CCCCOCCOCCO
+C(COCCO)OCCCC
+OCCOCCOCCCC
+CN(C)Cc1c[nH]c2ccccc12
+N(Cc1c[nH]c2ccccc21)(C)C
+CC(C)c1ccccc1
+C(C)(c1ccccc1)C
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+O=C(c1ccccc1)c1ccc(O)cc1O
+O=C(c1ccccc1)c1c(O)cc(O)cc1
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+CCCCCCCSCCO
+C(CSCCO)CCCCC
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+CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1
+CCOC(=O)C(C)(C)C(=O)C(C)C
+c1ccc2c(c1)CCc1ccccc1-2
+c12c(cccc1)CCc1c-2cccc1
+CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
 C=CCOc1c(Cl)ccc(Cl)c1Cl
-Sc1cccc(Br)c1
-CC(C)CCOP(C)(=S)OCCC(C)C
-Ic1ccc(Oc2ccccc2)cc1
-O=S(Cl)Cl
-S(Cl)(=O)Cl
-C1CCN(SSN2CCCCC2)CC1
-O=[N+]([O-])c1ccc(CBr)cc1
-Fc1ccccc1S
-C[Si](C)(C)c1ccc([Si](C)(C)C)cc1
-Clc1cccc(Cl)c1NC1=NCCN1
-O=S(=O)(O)OS(=O)(=O)O
-CCCCOP(OCCCC)c1ccccc1
-O=[N+](O)c1ccc(CCBr)cc1
-CC(=O)c1cc(-c2ccccc2)sc1C
-Fc1cc(F)c(N=C=S)c(F)c1
-O=C(Oc1ccc(Cl)cc1)c1ccccc1O
-CCCCCCCOC(=O)c1cc(Cl)ccc1N
-CCCc1[nH][nH]c2c3cc(Cl)ccc3c(N=N)c1-2
-Cc1cc(C)cc(CBr)c1
-FC(F)(F)c1cccc(CCl)c1
-FC(F)(c1cccc(CCl)c1)F
-NS(=O)(=O)N1CCOCC1
-CCOP(=O)(Cc1ccccc1C)OCC
-CCCCCCCCSC#N
-CN(C)C(=O)Cl
-CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1
-Fc1cccc(CSc2ncnc3nc[nH]c23)c1
+O=[N+]([O-])c1cccc(O)c1
+Cc1cc2oc(=O)sc2c(C)c1O
+NC(=O)N=C(N)N.NC(=O)N=C(N)N.O=S(=O)(O)O
+COC(=O)CCCCC(=O)O
+C(C(=O)OC)CCCC(=O)O
+CCCCCC(CC)C(=O)O
+Cc1cnc(C)c(Oc2ccccc2-c2ccccc2)n1
+CC(C)N(C=O)C(C)C
+O=C(O)Cc1ccc(O)c([N+](=O)[O-])c1
+O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl
+CCc1cc(C)ccc1C
+c1cc(C)c(CC)cc1C
+CCCCCCCCOc1ccc(C(=O)O)cc1
+Cn1cnc([N+](=O)[O-])c1C#N
+CC(C)(C)C=C1CCCCC1
+O=C(Nc1ccccc1)N1CCCCC1
+O=C(O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)c5ccccc5n4)cc3)cc2)nc2ccccc12
+C1COCCSCCOCCO1
+CCCCNc1nc(NC)c2[nH]cnc2n1
+CC1=CCC(=O)O1
+C1C=C(C)OC1=O
+CC(=O)Oc1ccccc1[N+](=O)O
+O=C(Cl)c1c(F)c(F)c(F)c(F)c1F
+O=C1CC(C(=O)N2CCCCC2)CC(=O)N1
+Cc1ccccc1Cl
+c1ccc(Cl)c(C)c1
+c1cccc(C)c1Cl
+CCOC(=O)CN.Cl
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+S=c1[nH]c2ccccc2o1
+CC[SiH2]CC
+O=C(NCCCl)Nc1ccc(Cn2ccc(=O)[nH]c2=O)cc1
+O=C(O)c1ccc(N(CCCl)CCCl)cc1
+CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl
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+c1cc(N(C2CCN(CCc3ccccc3)CC2)C(C)=O)ccc1
+c1ccccc1N(C(=O)C)C1CCN(CCc2ccccc2)CC1
+Cl.c1ccc(CCN2CCC(N(c3ccccc3)C(=O)C)CC2)cc1
+CC(=O)N(c1ccc(C)cc1)c1ccc(C)cc1
+CCCCCCCCOCCCCCCCC
+C(C)CCCCCCOCCCCCCCC
+Fc1c(F)c(C(F)(F)F)c(F)c(F)c1C(F)(F)F
+Cc1ccn(-c2ccccc2)n1
+CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1
+C[N+](C)(C)CCOC(=O)c1ccccc1.[I-]
+COc1cccc(C(O)=NN)c1
+C=CCP(c1ccccc1)c1ccccc1
+O=[N+]([O-])c1ccc(Nc2ccc(O)c(S(=O)(=O)[O-])c2)c([N+](=O)[O-])c1.[Na+]
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+CC/C=C/CCC(C)C
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+CNc1ccc(C(C)(C)C)cc1C(C)(C)C
+COc1ccccc1OCC1CNC(=O)O1
+O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Sm+3].[Sm+3]
+CCCCCCOC(=O)c1ccc(C(=O)OCCCCCC)cc1
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+CCOC(=O)C1(c2ccccc2)CCN(C)CC1.Cl
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+Fc1c(C(F)(F)F)c(F)c(F)c(F)c1F
+CC(=O)OC(C)(C)C(=O)Cl
+C(C)(C)(OC(=O)C)C(=O)Cl
+CC(=O)OCc1cocc1COC(C)=O
+C1CCC(OC2CCCCC2)CC1
+CCCc1cc(OC)c(CCNCc2ccccc2OC)cc1OC
+c1(CCC)cc(OC)c(CCNCc2ccccc2OC)cc1OC
+CSc1ncnc2[nH]ncc12
+CCCC(C)C(=O)Nc1cc(Cl)ccc1OC
+Cc1ccc(SCCSCCNc2ncnc3nc[nH]c23)cc1
 COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O
-O(C1=CC(=O)C[C@@H](C)[C@]12Oc1c(c(OC)cc(OC)c1Cl)C2=O)C
-c1(OC)c(Cl)c2c(c(OC)c1)C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC
-Cc1nnc2n1-c1sc(Cl)cc1C(c1ccccc1F)=NC2
-C1(c2ccccc2F)=NCc2n(c(C)nn2)-c2c1cc(Cl)s2
-COc1ccc(Cl)c(OC)c1OS(=O)(=O)c1ccc(Cl)cc1
-O=C(Cl)c1ccc(C(F)(F)F)cc1F
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 CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl
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 CCOC(=O)C(Br)(CC)C(=O)OCC
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 C=CC(=O)Nc1cccc(Cl)c1
-O=C(NCCCl)C1CCCCC1
-C1(C(=O)NCCCl)CCCCC1
-CC(C)C(Br)C(=O)O
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-O=C(O)C(CBr)CBr
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-ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl
-C12(Cl)C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C(Cl)(Cl)C35Cl)C2(Cl)C4(Cl)Cl
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-BrCBr
-C(Br)Br
-ClCOCCl
-O(CCl)CCl
-C(Cl)OCCl
-C(OCCl)Cl
-C1CSCSC1
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-O(P(=S)(OC)OC)c1ccc([N+]([O-])=O)cc1
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-O=C(Cl)c1cccc2ccccc12
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-O=C1OCCC1N=C=S
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-CSC
-FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl
-CCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCC
-CCc1ccc(I)cc1
-S=C=Nc1ccc(Cl)cc1
-CCCCC[Si](OCC)(OCC)OCC
-ClCC=CCCl
-C(CCl)=CCCl
-C(CCl)=CCCl
-C(CCl)=CCCl
-Cc1cccc(Br)c1C
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-O=C(CCl)Nc1cccc(Cl)c1
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-Cc1ccc(OC(=O)c2ccccc2Cl)cc1
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+CCCCCn1c(-c2ccc(F)cc2)cc(C(=O)c2c3c(ccc2)cccc3)c1
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+CC(=O)Nc1c(N)nc[nH]c1=O
+O=[N+]([O-])c1c(Cl)ccc2[nH]c(C(F)(F)F)nc12