id	sid	tid	token	lemma	pos
eurjchem-2303	1	1	crystal	crystal	NOUN
eurjchem-2303	1	2	structure	structure	NOUN
eurjchem-2303	1	3	,	,	PUNCT
eurjchem-2303	1	4	in	in	ADP
eurjchem-2303	1	5	silico	silico	NOUN
eurjchem-2303	1	6	molecular	molecular	ADJ
eurjchem-2303	1	7	docking	docking	NOUN
eurjchem-2303	1	8	,	,	PUNCT
eurjchem-2303	1	9	dft	dft	VERB
eurjchem-2303	1	10	analysis	analysis	NOUN
eurjchem-2303	1	11	and	and	CCONJ
eurjchem-2303	1	12	admet	admet	PROPN
eurjchem-2303	1	13	studies	study	NOUN
eurjchem-2303	1	14	of	of	ADP
eurjchem-2303	1	15	n-(2	n-(2	NOUN
eurjchem-2303	1	16	-	-	PUNCT
eurjchem-2303	1	17	methoxy	methoxy	ADJ
eurjchem-2303	1	18	-	-	PUNCT
eurjchem-2303	1	19	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	1	20	european	european	ADJ
eurjchem-2303	1	21	journal	journal	NOUN
eurjchem-2303	1	22	of	of	ADP
eurjchem-2303	1	23	chemistry	chemistry	NOUN
eurjchem-2303	1	24	13	13	NUM
eurjchem-2303	1	25	(	(	PUNCT
eurjchem-2303	1	26	4	4	NUM
eurjchem-2303	1	27	)	)	PUNCT
eurjchem-2303	1	28	(	(	PUNCT
eurjchem-2303	1	29	2022	2022	NUM
eurjchem-2303	1	30	)	)	PUNCT
eurjchem-2303	1	31	440	440	NUM
eurjchem-2303	1	32	-	-	SYM
eurjchem-2303	1	33	450	450	NUM
eurjchem-2303	1	34	european	european	ADJ
eurjchem-2303	1	35	journal	journal	NOUN
eurjchem-2303	1	36	of	of	ADP
eurjchem-2303	1	37	chemistry	chemistry	NOUN
eurjchem-2303	1	38	issn	issn	VERB
eurjchem-2303	1	39	2153	2153	NUM
eurjchem-2303	1	40	-	-	SYM
eurjchem-2303	1	41	2249	2249	NUM
eurjchem-2303	1	42	(	(	PUNCT
eurjchem-2303	1	43	print	print	NOUN
eurjchem-2303	1	44	)	)	PUNCT
eurjchem-2303	1	45	/	/	PUNCT
eurjchem-2303	1	46	issn	issn	PROPN
eurjchem-2303	1	47	2153	2153	NUM
eurjchem-2303	1	48	-	-	SYM
eurjchem-2303	1	49	2257	2257	NUM
eurjchem-2303	1	50	(	(	PUNCT
eurjchem-2303	1	51	online	online	ADJ
eurjchem-2303	1	52	)	)	PUNCT
eurjchem-2303	1	53	–	–	PUNCT
eurjchem-2303	2	1	copyright	copyright	NOUN
eurjchem-2303	2	2	©	©	PROPN
eurjchem-2303	2	3	2022	2022	NUM
eurjchem-2303	2	4	the	the	DET
eurjchem-2303	2	5	authors	author	NOUN
eurjchem-2303	2	6	–	–	PUNCT
eurjchem-2303	2	7	atlanta	atlanta	PROPN
eurjchem-2303	2	8	publishing	publishing	PROPN
eurjchem-2303	2	9	house	house	PROPN
eurjchem-2303	2	10	llc	llc	PROPN
eurjchem-2303	2	11	–	–	PUNCT
eurjchem-2303	2	12	printed	print	VERB
eurjchem-2303	2	13	in	in	ADP
eurjchem-2303	2	14	the	the	DET
eurjchem-2303	2	15	usa	usa	PROPN
eurjchem-2303	2	16	.	.	PUNCT
eurjchem-2303	3	1	this	this	DET
eurjchem-2303	3	2	work	work	NOUN
eurjchem-2303	3	3	is	be	AUX
eurjchem-2303	3	4	published	publish	VERB
eurjchem-2303	3	5	and	and	CCONJ
eurjchem-2303	3	6	licensed	license	VERB
eurjchem-2303	3	7	by	by	ADP
eurjchem-2303	3	8	atlanta	atlanta	PROPN
eurjchem-2303	3	9	publishing	publishing	PROPN
eurjchem-2303	3	10	house	house	PROPN
eurjchem-2303	3	11	llc	llc	PROPN
eurjchem-2303	3	12	–	–	PUNCT
eurjchem-2303	3	13	cc	cc	PROPN
eurjchem-2303	3	14	by	by	ADP
eurjchem-2303	3	15	nc	nc	PROPN
eurjchem-2303	3	16	–	–	PUNCT
eurjchem-2303	3	17	some	some	DET
eurjchem-2303	3	18	rights	right	NOUN
eurjchem-2303	3	19	reserved	reserve	VERB
eurjchem-2303	3	20	.	.	PUNCT
eurjchem-2303	4	1	https://dx.doi.org/10.5155/eurjchem.13.4.440-450.2303	https://dx.doi.org/10.5155/eurjchem.13.4.440-450.2303	ADJ
eurjchem-2303	4	2	european	european	PROPN
eurjchem-2303	4	3	journal	journal	PROPN
eurjchem-2303	4	4	of	of	ADP
eurjchem-2303	4	5	chemistry	chemistry	NOUN
eurjchem-2303	4	6	view	view	NOUN
eurjchem-2303	4	7	journal	journal	PROPN
eurjchem-2303	4	8	online	online	PROPN
eurjchem-2303	4	9	view	view	NOUN
eurjchem-2303	4	10	article	article	NOUN
eurjchem-2303	4	11	online	online	PROPN
eurjchem-2303	4	12	crystal	crystal	PROPN
eurjchem-2303	4	13	structure	structure	NOUN
eurjchem-2303	4	14	,	,	PUNCT
eurjchem-2303	4	15	in	in	ADP
eurjchem-2303	4	16	silico	silico	NOUN
eurjchem-2303	4	17	molecular	molecular	ADJ
eurjchem-2303	4	18	docking	docking	NOUN
eurjchem-2303	4	19	,	,	PUNCT
eurjchem-2303	4	20	dft	dft	VERB
eurjchem-2303	4	21	analysis	analysis	NOUN
eurjchem-2303	4	22	and	and	CCONJ
eurjchem-2303	4	23	admet	admet	PROPN
eurjchem-2303	4	24	studies	study	NOUN
eurjchem-2303	4	25	of	of	ADP
eurjchem-2303	4	26	n-(2	n-(2	NOUN
eurjchem-2303	4	27	-	-	PUNCT
eurjchem-2303	4	28	methoxy	methoxy	ADJ
eurjchem-2303	4	29	-	-	PUNCT
eurjchem-2303	4	30	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	4	31	suganya	suganya	ADJ
eurjchem-2303	4	32	murugan	murugan	NOUN
eurjchem-2303	4	33	1	1	NUM
eurjchem-2303	4	34	,	,	PUNCT
eurjchem-2303	4	35	prasanth	prasanth	VERB
eurjchem-2303	4	36	gunasekaran	gunasekaran	NOUN
eurjchem-2303	4	37	2	2	NUM
eurjchem-2303	4	38	,	,	PUNCT
eurjchem-2303	4	39	jayasudha	jayasudha	NOUN
eurjchem-2303	4	40	nehru	nehru	NOUN
eurjchem-2303	4	41	1	1	NUM
eurjchem-2303	4	42	,	,	PUNCT
eurjchem-2303	4	43	anaglit	anaglit	PROPN
eurjchem-2303	4	44	catherine	catherine	PROPN
eurjchem-2303	4	45	paul	paul	PROPN
eurjchem-2303	4	46	1	1	PROPN
eurjchem-2303	4	47	,	,	PUNCT
eurjchem-2303	4	48	necmi	necmi	ADJ
eurjchem-2303	4	49	dege	dege	PROPN
eurjchem-2303	4	50	3	3	NUM
eurjchem-2303	4	51	,	,	PUNCT
eurjchem-2303	4	52	emine	emine	PROPN
eurjchem-2303	4	53	berrin	berrin	PROPN
eurjchem-2303	4	54	cinar	cinar	PROPN
eurjchem-2303	4	55	3	3	NUM
eurjchem-2303	4	56	,	,	PUNCT
eurjchem-2303	4	57	savaridasson	savaridasson	NOUN
eurjchem-2303	4	58	jose	jose	PROPN
eurjchem-2303	4	59	kavitha	kavitha	PROPN
eurjchem-2303	4	60	1	1	NUM
eurjchem-2303	4	61	,	,	PUNCT
eurjchem-2303	4	62	kasthuri	kasthuri	PROPN
eurjchem-2303	4	63	balasubramani	balasubramani	ADJ
eurjchem-2303	4	64	4	4	NUM
eurjchem-2303	4	65	,	,	PUNCT
eurjchem-2303	4	66	kaliyaperumal	kaliyaperumal	ADJ
eurjchem-2303	4	67	thanigaimani	thanigaimani	PROPN
eurjchem-2303	4	68	5	5	NUM
eurjchem-2303	4	69	,	,	PUNCT
eurjchem-2303	4	70	venkatachalam	venkatachalam	VERB
eurjchem-2303	4	71	rajakannan	rajakannan	NOUN
eurjchem-2303	4	72	2	2	NUM
eurjchem-2303	4	73	and	and	CCONJ
eurjchem-2303	4	74	madhukar	madhukar	PROPN
eurjchem-2303	4	75	hemamalini	hemamalini	PROPN
eurjchem-2303	4	76	1	1	NUM
eurjchem-2303	4	77	,	,	PUNCT
eurjchem-2303	4	78	*	*	PROPN
eurjchem-2303	4	79	1	1	NUM
eurjchem-2303	4	80	department	department	NOUN
eurjchem-2303	4	81	of	of	ADP
eurjchem-2303	4	82	chemistry	chemistry	NOUN
eurjchem-2303	4	83	,	,	PUNCT
eurjchem-2303	4	84	faculty	faculty	NOUN
eurjchem-2303	4	85	of	of	ADP
eurjchem-2303	4	86	science	science	NOUN
eurjchem-2303	4	87	,	,	PUNCT
eurjchem-2303	4	88	mother	mother	NOUN
eurjchem-2303	4	89	teresa	teresa	PROPN
eurjchem-2303	4	90	women	women	PROPN
eurjchem-2303	4	91	’s	’s	PART
eurjchem-2303	4	92	university	university	NOUN
eurjchem-2303	4	93	,	,	PUNCT
eurjchem-2303	4	94	kodaikanal	kodaikanal	PROPN
eurjchem-2303	4	95	,	,	PUNCT
eurjchem-2303	4	96	624101	624101	NUM
eurjchem-2303	4	97	,	,	PUNCT
eurjchem-2303	4	98	india	india	PROPN
eurjchem-2303	4	99	2	2	NUM
eurjchem-2303	4	100	centre	centre	NOUN
eurjchem-2303	4	101	of	of	ADP
eurjchem-2303	4	102	advanced	advanced	ADJ
eurjchem-2303	4	103	study	study	NOUN
eurjchem-2303	4	104	in	in	ADP
eurjchem-2303	4	105	crystallography	crystallography	NOUN
eurjchem-2303	4	106	and	and	CCONJ
eurjchem-2303	4	107	biophysics	biophysic	NOUN
eurjchem-2303	4	108	,	,	PUNCT
eurjchem-2303	4	109	faculty	faculty	NOUN
eurjchem-2303	4	110	of	of	ADP
eurjchem-2303	4	111	science	science	NOUN
eurjchem-2303	4	112	,	,	PUNCT
eurjchem-2303	4	113	university	university	PROPN
eurjchem-2303	4	114	of	of	ADP
eurjchem-2303	4	115	madras	madras	PROPN
eurjchem-2303	4	116	,	,	PUNCT
eurjchem-2303	4	117	chennai	chennai	PROPN
eurjchem-2303	4	118	,	,	PUNCT
eurjchem-2303	4	119	600025	600025	NUM
eurjchem-2303	4	120	,	,	PUNCT
eurjchem-2303	4	121	india	india	PROPN
eurjchem-2303	4	122	3	3	PROPN
eurjchem-2303	4	123	department	department	PROPN
eurjchem-2303	4	124	of	of	ADP
eurjchem-2303	4	125	physics	physics	PROPN
eurjchem-2303	4	126	,	,	PUNCT
eurjchem-2303	4	127	faculty	faculty	NOUN
eurjchem-2303	4	128	of	of	ADP
eurjchem-2303	4	129	science	science	NOUN
eurjchem-2303	4	130	,	,	PUNCT
eurjchem-2303	4	131	ondokuz	ondokuz	NOUN
eurjchem-2303	4	132	mayis	mayis	PROPN
eurjchem-2303	4	133	university	university	PROPN
eurjchem-2303	4	134	,	,	PUNCT
eurjchem-2303	4	135	samsun	samsun	NOUN
eurjchem-2303	4	136	,	,	PUNCT
eurjchem-2303	4	137	55200	55200	NUM
eurjchem-2303	4	138	,	,	PUNCT
eurjchem-2303	4	139	turkey	turkey	PROPN
eurjchem-2303	4	140	4	4	NUM
eurjchem-2303	4	141	department	department	NOUN
eurjchem-2303	4	142	of	of	ADP
eurjchem-2303	4	143	chemistry	chemistry	NOUN
eurjchem-2303	4	144	,	,	PUNCT
eurjchem-2303	4	145	faculty	faculty	NOUN
eurjchem-2303	4	146	of	of	ADP
eurjchem-2303	4	147	science	science	NOUN
eurjchem-2303	4	148	,	,	PUNCT
eurjchem-2303	4	149	government	government	NOUN
eurjchem-2303	4	150	arts	arts	PROPN
eurjchem-2303	4	151	college	college	PROPN
eurjchem-2303	4	152	(	(	PUNCT
eurjchem-2303	4	153	autonomous	autonomous	ADJ
eurjchem-2303	4	154	)	)	PUNCT
eurjchem-2303	4	155	,	,	PUNCT
eurjchem-2303	4	156	thanthonrimalai	thanthonrimalai	PROPN
eurjchem-2303	4	157	,	,	PUNCT
eurjchem-2303	4	158	karur	karur	PROPN
eurjchem-2303	4	159	,	,	PUNCT
eurjchem-2303	4	160	639005	639005	NUM
eurjchem-2303	4	161	,	,	PUNCT
eurjchem-2303	4	162	india	india	PROPN
eurjchem-2303	4	163	5	5	NUM
eurjchem-2303	4	164	department	department	NOUN
eurjchem-2303	4	165	of	of	ADP
eurjchem-2303	4	166	chemistry	chemistry	NOUN
eurjchem-2303	4	167	,	,	PUNCT
eurjchem-2303	4	168	faculty	faculty	NOUN
eurjchem-2303	4	169	of	of	ADP
eurjchem-2303	4	170	science	science	NOUN
eurjchem-2303	4	171	,	,	PUNCT
eurjchem-2303	4	172	government	government	NOUN
eurjchem-2303	4	173	arts	arts	PROPN
eurjchem-2303	4	174	college	college	PROPN
eurjchem-2303	4	175	,	,	PUNCT
eurjchem-2303	4	176	trichy	trichy	NOUN
eurjchem-2303	4	177	,	,	PUNCT
eurjchem-2303	4	178	620022	620022	NUM
eurjchem-2303	4	179	,	,	PUNCT
eurjchem-2303	4	180	india	india	PROPN
eurjchem-2303	4	181	*	*	PUNCT
eurjchem-2303	4	182	corresponding	correspond	VERB
eurjchem-2303	4	183	author	author	NOUN
eurjchem-2303	4	184	at	at	ADP
eurjchem-2303	4	185	:	:	PUNCT
eurjchem-2303	4	186	department	department	NOUN
eurjchem-2303	4	187	of	of	ADP
eurjchem-2303	4	188	chemistry	chemistry	NOUN
eurjchem-2303	4	189	,	,	PUNCT
eurjchem-2303	4	190	faculty	faculty	NOUN
eurjchem-2303	4	191	of	of	ADP
eurjchem-2303	4	192	science	science	NOUN
eurjchem-2303	4	193	,	,	PUNCT
eurjchem-2303	4	194	mother	mother	NOUN
eurjchem-2303	4	195	teresa	teresa	PROPN
eurjchem-2303	4	196	women	women	PROPN
eurjchem-2303	4	197	’s	’s	PART
eurjchem-2303	4	198	university	university	NOUN
eurjchem-2303	4	199	,	,	PUNCT
eurjchem-2303	4	200	kodaikanal	kodaikanal	PROPN
eurjchem-2303	4	201	,	,	PUNCT
eurjchem-2303	4	202	624101	624101	NUM
eurjchem-2303	4	203	,	,	PUNCT
eurjchem-2303	4	204	india	india	PROPN
eurjchem-2303	4	205	.	.	PUNCT
eurjchem-2303	5	1	e	e	X
eurjchem-2303	5	2	-	-	NOUN
eurjchem-2303	5	3	mail	mail	NOUN
eurjchem-2303	5	4	:	:	PUNCT
eurjchem-2303	5	5	hemamalini2k3@yahoo.com	hemamalini2k3@yahoo.com	PROPN
eurjchem-2303	5	6	(	(	PUNCT
eurjchem-2303	5	7	m.	m.	NOUN
eurjchem-2303	5	8	hemamalini	hemamalini	PROPN
eurjchem-2303	5	9	)	)	PUNCT
eurjchem-2303	5	10	.	.	PUNCT
eurjchem-2303	6	1	10.5155	10.5155	NUM
eurjchem-2303	6	2	/	/	SYM
eurjchem-2303	6	3	eurjchem.13.4.440	eurjchem.13.4.440	PRON
eurjchem-2303	6	4	-	-	SYM
eurjchem-2303	6	5	450.2303	450.2303	NUM
eurjchem-2303	6	6	received	receive	VERB
eurjchem-2303	6	7	:	:	PUNCT
eurjchem-2303	6	8	08	08	NUM
eurjchem-2303	6	9	july	july	PROPN
eurjchem-2303	6	10	2022	2022	NUM
eurjchem-2303	6	11	received	receive	VERB
eurjchem-2303	6	12	in	in	ADP
eurjchem-2303	6	13	revised	revise	VERB
eurjchem-2303	6	14	form	form	NOUN
eurjchem-2303	6	15	:	:	PUNCT
eurjchem-2303	6	16	01	01	NUM
eurjchem-2303	6	17	september	september	PROPN
eurjchem-2303	6	18	2022	2022	NUM
eurjchem-2303	6	19	accepted	accept	VERB
eurjchem-2303	6	20	:	:	PUNCT
eurjchem-2303	6	21	09	09	NUM
eurjchem-2303	6	22	september	september	PROPN
eurjchem-2303	6	23	2022	2022	NUM
eurjchem-2303	6	24	published	publish	VERB
eurjchem-2303	6	25	online	online	ADV
eurjchem-2303	6	26	:	:	PUNCT
eurjchem-2303	6	27	31	31	NUM
eurjchem-2303	6	28	december	december	PROPN
eurjchem-2303	6	29	2022	2022	NUM
eurjchem-2303	6	30	printed	print	VERB
eurjchem-2303	6	31	:	:	PUNCT
eurjchem-2303	6	32	31	31	NUM
eurjchem-2303	6	33	december	december	PROPN
eurjchem-2303	6	34	2022	2022	NUM
eurjchem-2303	6	35	in	in	ADP
eurjchem-2303	6	36	this	this	DET
eurjchem-2303	6	37	work	work	NOUN
eurjchem-2303	6	38	,	,	PUNCT
eurjchem-2303	6	39	n-(2	n-(2	NOUN
eurjchem-2303	6	40	-	-	PUNCT
eurjchem-2303	6	41	methoxy	methoxy	ADJ
eurjchem-2303	6	42	-	-	PUNCT
eurjchem-2303	6	43	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	6	44	(	(	PUNCT
eurjchem-2303	6	45	2mba	2mba	NUM
eurjchem-2303	6	46	)	)	PUNCT
eurjchem-2303	6	47	was	be	AUX
eurjchem-2303	6	48	synthesized	synthesize	VERB
eurjchem-2303	6	49	from	from	ADP
eurjchem-2303	6	50	an	an	DET
eurjchem-2303	6	51	amide	amide	NOUN
eurjchem-2303	6	52	derivative	derivative	NOUN
eurjchem-2303	7	1	and	and	CCONJ
eurjchem-2303	7	2	it	it	PRON
eurjchem-2303	7	3	was	be	AUX
eurjchem-2303	7	4	characterized	characterize	VERB
eurjchem-2303	7	5	by	by	ADP
eurjchem-2303	7	6	ft	ft	PROPN
eurjchem-2303	7	7	-	-	PUNCT
eurjchem-2303	7	8	ir	ir	PROPN
eurjchem-2303	7	9	and	and	CCONJ
eurjchem-2303	7	10	nmr	nmr	NOUN
eurjchem-2303	7	11	spectroscopy	spectroscopy	NOUN
eurjchem-2303	7	12	techniques	technique	NOUN
eurjchem-2303	7	13	.	.	PUNCT
eurjchem-2303	8	1	the	the	DET
eurjchem-2303	8	2	crystal	crystal	NOUN
eurjchem-2303	8	3	structure	structure	NOUN
eurjchem-2303	8	4	of	of	ADP
eurjchem-2303	8	5	2mba	2mba	PROPN
eurjchem-2303	8	6	was	be	AUX
eurjchem-2303	8	7	also	also	ADV
eurjchem-2303	8	8	validated	validate	VERB
eurjchem-2303	8	9	via	via	ADP
eurjchem-2303	8	10	single	single	ADJ
eurjchem-2303	8	11	-	-	PUNCT
eurjchem-2303	8	12	crystal	crystal	NOUN
eurjchem-2303	8	13	x	x	ADJ
eurjchem-2303	8	14	-	-	NOUN
eurjchem-2303	8	15	ray	ray	NOUN
eurjchem-2303	8	16	diffraction	diffraction	NOUN
eurjchem-2303	8	17	analysis	analysis	NOUN
eurjchem-2303	8	18	.	.	PUNCT
eurjchem-2303	9	1	crystal	crystal	NOUN
eurjchem-2303	9	2	data	datum	NOUN
eurjchem-2303	9	3	for	for	ADP
eurjchem-2303	9	4	c10h13no2	c10h13no2	PROPN
eurjchem-2303	9	5	for	for	ADP
eurjchem-2303	9	6	2mba	2mba	ADV
eurjchem-2303	9	7	:	:	PUNCT
eurjchem-2303	9	8	monoclinic	monoclinic	ADJ
eurjchem-2303	9	9	,	,	PUNCT
eurjchem-2303	9	10	space	space	NOUN
eurjchem-2303	9	11	group	group	NOUN
eurjchem-2303	9	12	p21	p21	PROPN
eurjchem-2303	9	13	/	/	SYM
eurjchem-2303	9	14	n	n	PROPN
eurjchem-2303	9	15	(	(	PUNCT
eurjchem-2303	9	16	no	no	INTJ
eurjchem-2303	9	17	.	.	NOUN
eurjchem-2303	9	18	14	14	NUM
eurjchem-2303	9	19	)	)	PUNCT
eurjchem-2303	9	20	,	,	PUNCT
eurjchem-2303	9	21	a	a	DET
eurjchem-2303	9	22	=	=	SYM
eurjchem-2303	9	23	9.1264(6	9.1264(6	NOUN
eurjchem-2303	9	24	)	)	PUNCT
eurjchem-2303	9	25	å	å	PROPN
eurjchem-2303	9	26	,	,	PUNCT
eurjchem-2303	9	27	b	b	X
eurjchem-2303	9	28	=	=	SYM
eurjchem-2303	9	29	9.3375(7	9.3375(7	NUM
eurjchem-2303	9	30	)	)	PUNCT
eurjchem-2303	10	1	å	å	NOUN
eurjchem-2303	10	2	,	,	PUNCT
eurjchem-2303	10	3	c	c	NOUN
eurjchem-2303	10	4	=	=	SYM
eurjchem-2303	10	5	11.9385(8	11.9385(8	PROPN
eurjchem-2303	10	6	)	)	PUNCT
eurjchem-2303	10	7	å	å	NOUN
eurjchem-2303	10	8	,	,	PUNCT
eurjchem-2303	10	9	β	β	X
eurjchem-2303	10	10	=	=	SYM
eurjchem-2303	10	11	95.745(5	95.745(5	PROPN
eurjchem-2303	10	12	)	)	PUNCT
eurjchem-2303	10	13	°	°	NOUN
eurjchem-2303	10	14	,	,	PUNCT
eurjchem-2303	10	15	v	v	NOUN
eurjchem-2303	10	16	=	=	SYM
eurjchem-2303	10	17	1012.26(12	1012.26(12	NUM
eurjchem-2303	10	18	)	)	PUNCT
eurjchem-2303	10	19	å3	å3	PROPN
eurjchem-2303	10	20	,	,	PUNCT
eurjchem-2303	10	21	z	z	NOUN
eurjchem-2303	10	22	=	=	SYM
eurjchem-2303	10	23	4	4	NUM
eurjchem-2303	10	24	,	,	PUNCT
eurjchem-2303	10	25	μ(mokα	μ(mokα	NOUN
eurjchem-2303	10	26	)	)	PUNCT
eurjchem-2303	10	27	=	=	NOUN
eurjchem-2303	10	28	0.082	0.082	NUM
eurjchem-2303	10	29	mm-1	mm-1	NUM
eurjchem-2303	10	30	,	,	PUNCT
eurjchem-2303	10	31	dcalc	dcalc	NOUN
eurjchem-2303	10	32	=	=	NOUN
eurjchem-2303	10	33	1.176	1.176	NUM
eurjchem-2303	10	34	g	g	NOUN
eurjchem-2303	10	35	/	/	SYM
eurjchem-2303	10	36	cm3	cm3	NOUN
eurjchem-2303	10	37	,	,	PUNCT
eurjchem-2303	10	38	5632	5632	NUM
eurjchem-2303	10	39	reflections	reflection	NOUN
eurjchem-2303	10	40	measured	measure	VERB
eurjchem-2303	10	41	(	(	PUNCT
eurjchem-2303	10	42	5.368	5.368	NUM
eurjchem-2303	10	43	°	°	NOUN
eurjchem-2303	10	44	≤	≤	NUM
eurjchem-2303	10	45	2θ	2θ	NUM
eurjchem-2303	10	46	≤	≤	NUM
eurjchem-2303	10	47	51.992	51.992	NUM
eurjchem-2303	10	48	°	°	NUM
eurjchem-2303	10	49	)	)	PUNCT
eurjchem-2303	10	50	,	,	PUNCT
eurjchem-2303	10	51	1990	1990	NUM
eurjchem-2303	10	52	unique	unique	ADJ
eurjchem-2303	10	53	(	(	PUNCT
eurjchem-2303	10	54	rint	rint	NOUN
eurjchem-2303	10	55	=	=	SYM
eurjchem-2303	10	56	0.0377	0.0377	NUM
eurjchem-2303	10	57	,	,	PUNCT
eurjchem-2303	10	58	rsigma	rsigma	ADJ
eurjchem-2303	10	59	=	=	SYM
eurjchem-2303	10	60	0.0314	0.0314	NUM
eurjchem-2303	10	61	)	)	PUNCT
eurjchem-2303	10	62	which	which	PRON
eurjchem-2303	10	63	were	be	AUX
eurjchem-2303	10	64	used	use	VERB
eurjchem-2303	10	65	in	in	ADP
eurjchem-2303	10	66	all	all	DET
eurjchem-2303	10	67	calculations	calculation	NOUN
eurjchem-2303	10	68	.	.	PUNCT
eurjchem-2303	11	1	the	the	DET
eurjchem-2303	11	2	final	final	ADJ
eurjchem-2303	11	3	r1	r1	PROPN
eurjchem-2303	11	4	was	be	AUX
eurjchem-2303	11	5	0.0583	0.0583	NUM
eurjchem-2303	11	6	(	(	PUNCT
eurjchem-2303	11	7	i	i	X
eurjchem-2303	11	8	>	>	X
eurjchem-2303	11	9	2σ(i	2σ(i	NUM
eurjchem-2303	11	10	)	)	PUNCT
eurjchem-2303	11	11	)	)	PUNCT
eurjchem-2303	12	1	and	and	CCONJ
eurjchem-2303	12	2	wr2	wr2	PROPN
eurjchem-2303	12	3	was	be	AUX
eurjchem-2303	12	4	0.1444	0.1444	NUM
eurjchem-2303	12	5	(	(	PUNCT
eurjchem-2303	12	6	all	all	DET
eurjchem-2303	12	7	data	datum	NOUN
eurjchem-2303	12	8	)	)	PUNCT
eurjchem-2303	12	9	.	.	PUNCT
eurjchem-2303	13	1	the	the	DET
eurjchem-2303	13	2	intermolecular	intermolecular	ADJ
eurjchem-2303	13	3	interactions	interaction	NOUN
eurjchem-2303	13	4	in	in	ADP
eurjchem-2303	13	5	2mba	2mba	NUM
eurjchem-2303	13	6	were	be	AUX
eurjchem-2303	13	7	theoretically	theoretically	ADV
eurjchem-2303	13	8	examined	examine	VERB
eurjchem-2303	13	9	by	by	ADP
eurjchem-2303	13	10	hirshfeld	hirshfeld	PROPN
eurjchem-2303	13	11	surface	surface	NOUN
eurjchem-2303	13	12	analysis	analysis	NOUN
eurjchem-2303	13	13	and	and	CCONJ
eurjchem-2303	13	14	2d	2d	NOUN
eurjchem-2303	13	15	fingerprint	fingerprint	NOUN
eurjchem-2303	13	16	plots	plot	NOUN
eurjchem-2303	13	17	.	.	PUNCT
eurjchem-2303	14	1	moreover	moreover	ADV
eurjchem-2303	14	2	,	,	PUNCT
eurjchem-2303	14	3	the	the	DET
eurjchem-2303	14	4	homo	homo	NOUN
eurjchem-2303	14	5	and	and	CCONJ
eurjchem-2303	14	6	lumo	lumo	NOUN
eurjchem-2303	14	7	energy	energy	NOUN
eurjchem-2303	14	8	gaps	gap	NOUN
eurjchem-2303	14	9	of	of	ADP
eurjchem-2303	14	10	2mba	2mba	PROPN
eurjchem-2303	14	11	was	be	AUX
eurjchem-2303	14	12	calculated	calculate	VERB
eurjchem-2303	14	13	by	by	ADP
eurjchem-2303	14	14	dft	dft	PROPN
eurjchem-2303	14	15	calculation	calculation	NOUN
eurjchem-2303	14	16	with	with	ADP
eurjchem-2303	14	17	the	the	DET
eurjchem-2303	14	18	b3lyp/6311g++(d	b3lyp/6311g++(d	ADJ
eurjchem-2303	14	19	,	,	PUNCT
eurjchem-2303	14	20	p	p	NOUN
eurjchem-2303	14	21	)	)	PUNCT
eurjchem-2303	14	22	method	method	NOUN
eurjchem-2303	14	23	.	.	PUNCT
eurjchem-2303	15	1	the	the	DET
eurjchem-2303	15	2	electron	electron	NOUN
eurjchem-2303	15	3	-	-	PUNCT
eurjchem-2303	15	4	withdrawing	withdraw	VERB
eurjchem-2303	15	5	and	and	CCONJ
eurjchem-2303	15	6	donating	donate	VERB
eurjchem-2303	15	7	sites	site	NOUN
eurjchem-2303	15	8	of	of	ADP
eurjchem-2303	15	9	the	the	DET
eurjchem-2303	15	10	2mba	2mba	NUM
eurjchem-2303	15	11	were	be	AUX
eurjchem-2303	15	12	confirmed	confirm	VERB
eurjchem-2303	15	13	via	via	ADP
eurjchem-2303	15	14	molecular	molecular	ADJ
eurjchem-2303	15	15	electrostatic	electrostatic	ADJ
eurjchem-2303	15	16	potential	potential	ADJ
eurjchem-2303	15	17	surface	surface	NOUN
eurjchem-2303	15	18	analysis	analysis	NOUN
eurjchem-2303	15	19	.	.	PUNCT
eurjchem-2303	16	1	the	the	DET
eurjchem-2303	16	2	present	present	ADJ
eurjchem-2303	16	3	study	study	NOUN
eurjchem-2303	16	4	discusses	discuss	VERB
eurjchem-2303	16	5	the	the	DET
eurjchem-2303	16	6	title	title	NOUN
eurjchem-2303	16	7	compound	compound	VERB
eurjchem-2303	16	8	not	not	PART
eurjchem-2303	16	9	only	only	ADV
eurjchem-2303	16	10	highlighted	highlight	VERB
eurjchem-2303	16	11	the	the	DET
eurjchem-2303	16	12	crystallographic	crystallographic	ADJ
eurjchem-2303	16	13	data	datum	NOUN
eurjchem-2303	16	14	but	but	CCONJ
eurjchem-2303	16	15	also	also	ADV
eurjchem-2303	16	16	revealed	reveal	VERB
eurjchem-2303	16	17	good	good	ADJ
eurjchem-2303	16	18	molecular	molecular	ADJ
eurjchem-2303	16	19	interactions	interaction	NOUN
eurjchem-2303	16	20	together	together	ADV
eurjchem-2303	16	21	with	with	ADP
eurjchem-2303	16	22	an	an	DET
eurjchem-2303	16	23	anticancer	anticancer	NOUN
eurjchem-2303	16	24	drug	drug	NOUN
eurjchem-2303	16	25	target	target	NOUN
eurjchem-2303	16	26	,	,	PUNCT
eurjchem-2303	16	27	which	which	PRON
eurjchem-2303	16	28	is	be	AUX
eurjchem-2303	16	29	a	a	DET
eurjchem-2303	16	30	targeting	target	VERB
eurjchem-2303	16	31	parp	parp	ADJ
eurjchem-2303	16	32	protein	protein	NOUN
eurjchem-2303	16	33	,	,	PUNCT
eurjchem-2303	16	34	which	which	PRON
eurjchem-2303	16	35	was	be	AUX
eurjchem-2303	16	36	an	an	DET
eurjchem-2303	16	37	important	important	ADJ
eurjchem-2303	16	38	drug	drug	NOUN
eurjchem-2303	16	39	target	target	NOUN
eurjchem-2303	16	40	in	in	ADP
eurjchem-2303	16	41	the	the	DET
eurjchem-2303	16	42	treatment	treatment	NOUN
eurjchem-2303	16	43	of	of	ADP
eurjchem-2303	16	44	breast	breast	NOUN
eurjchem-2303	16	45	cancer	cancer	NOUN
eurjchem-2303	16	46	.	.	PUNCT
eurjchem-2303	17	1	parp	parp	ADJ
eurjchem-2303	17	2	protein	protein	NOUN
eurjchem-2303	17	3	crystal	crystal	NOUN
eurjchem-2303	17	4	structure	structure	NOUN
eurjchem-2303	17	5	molecular	molecular	ADJ
eurjchem-2303	17	6	docking	docking	NOUN
eurjchem-2303	17	7	density	density	NOUN
eurjchem-2303	17	8	functional	functional	ADJ
eurjchem-2303	17	9	theory	theory	NOUN
eurjchem-2303	17	10	hirshfeld	hirshfeld	VERB
eurjchem-2303	17	11	surface	surface	NOUN
eurjchem-2303	17	12	analysis	analysis	NOUN
eurjchem-2303	17	13	molecular	molecular	ADJ
eurjchem-2303	17	14	electrostatic	electrostatic	ADJ
eurjchem-2303	17	15	potential	potential	NOUN
eurjchem-2303	17	16	cite	cite	VERB
eurjchem-2303	17	17	this	this	PRON
eurjchem-2303	17	18	:	:	PUNCT
eurjchem-2303	17	19	eur	eur	PROPN
eurjchem-2303	17	20	.	.	PUNCT
eurjchem-2303	18	1	j.	j.	PROPN
eurjchem-2303	18	2	chem	chem	PROPN
eurjchem-2303	18	3	.	.	PUNCT
eurjchem-2303	19	1	2022	2022	NUM
eurjchem-2303	19	2	,	,	PUNCT
eurjchem-2303	19	3	13(4	13(4	NUM
eurjchem-2303	19	4	)	)	PUNCT
eurjchem-2303	19	5	,	,	PUNCT
eurjchem-2303	19	6	440	440	NUM
eurjchem-2303	19	7	-	-	SYM
eurjchem-2303	19	8	450	450	NUM
eurjchem-2303	19	9	journal	journal	NOUN
eurjchem-2303	19	10	website	website	NOUN
eurjchem-2303	19	11	:	:	PUNCT
eurjchem-2303	19	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2303	19	13	1	1	X
eurjchem-2303	19	14	.	.	PUNCT
eurjchem-2303	20	1	introduction	introduction	NOUN
eurjchem-2303	20	2	medicinal	medicinal	ADJ
eurjchem-2303	20	3	chemistry	chemistry	NOUN
eurjchem-2303	20	4	plays	play	VERB
eurjchem-2303	20	5	an	an	DET
eurjchem-2303	20	6	important	important	ADJ
eurjchem-2303	20	7	role	role	NOUN
eurjchem-2303	20	8	in	in	ADP
eurjchem-2303	20	9	the	the	DET
eurjchem-2303	20	10	development	development	NOUN
eurjchem-2303	20	11	of	of	ADP
eurjchem-2303	20	12	drugs	drug	NOUN
eurjchem-2303	20	13	for	for	ADP
eurjchem-2303	20	14	curing	cure	VERB
eurjchem-2303	20	15	,	,	PUNCT
eurjchem-2303	20	16	maintaining	maintain	VERB
eurjchem-2303	20	17	,	,	PUNCT
eurjchem-2303	20	18	and	and	CCONJ
eurjchem-2303	20	19	improving	improve	VERB
eurjchem-2303	20	20	the	the	DET
eurjchem-2303	20	21	health	health	NOUN
eurjchem-2303	20	22	of	of	ADP
eurjchem-2303	20	23	humans	human	NOUN
eurjchem-2303	20	24	.	.	PUNCT
eurjchem-2303	21	1	the	the	DET
eurjchem-2303	21	2	significance	significance	NOUN
eurjchem-2303	21	3	of	of	ADP
eurjchem-2303	21	4	the	the	DET
eurjchem-2303	21	5	amidation	amidation	NOUN
eurjchem-2303	21	6	reactions	reaction	NOUN
eurjchem-2303	21	7	(	(	PUNCT
eurjchem-2303	21	8	c	c	X
eurjchem-2303	21	9	=	=	NOUN
eurjchem-2303	21	10	o	o	NOUN
eurjchem-2303	21	11	with	with	ADP
eurjchem-2303	21	12	n	n	NOUN
eurjchem-2303	21	13	-	-	PUNCT
eurjchem-2303	21	14	h	h	NOUN
eurjchem-2303	21	15	)	)	PUNCT
eurjchem-2303	21	16	,	,	PUNCT
eurjchem-2303	21	17	including	include	VERB
eurjchem-2303	21	18	peptide	peptide	NOUN
eurjchem-2303	21	19	bond	bond	NOUN
eurjchem-2303	21	20	-	-	PUNCT
eurjchem-2303	21	21	forming	form	VERB
eurjchem-2303	21	22	reactions	reaction	NOUN
eurjchem-2303	21	23	,	,	PUNCT
eurjchem-2303	21	24	is	be	AUX
eurjchem-2303	21	25	one	one	NUM
eurjchem-2303	21	26	of	of	ADP
eurjchem-2303	21	27	the	the	DET
eurjchem-2303	21	28	most	most	ADV
eurjchem-2303	21	29	fundamental	fundamental	ADJ
eurjchem-2303	21	30	transformations	transformation	NOUN
eurjchem-2303	21	31	in	in	ADP
eurjchem-2303	21	32	organic	organic	ADJ
eurjchem-2303	21	33	chemistry	chemistry	NOUN
eurjchem-2303	21	34	and	and	CCONJ
eurjchem-2303	21	35	the	the	DET
eurjchem-2303	21	36	pharmaceutical	pharmaceutical	ADJ
eurjchem-2303	21	37	industry	industry	NOUN
eurjchem-2303	21	38	.	.	PUNCT
eurjchem-2303	22	1	the	the	DET
eurjchem-2303	22	2	rising	rise	VERB
eurjchem-2303	22	3	costs	cost	NOUN
eurjchem-2303	22	4	of	of	ADP
eurjchem-2303	22	5	waste	waste	NOUN
eurjchem-2303	22	6	disposal	disposal	NOUN
eurjchem-2303	22	7	have	have	AUX
eurjchem-2303	22	8	prompted	prompt	VERB
eurjchem-2303	22	9	researchers	researcher	NOUN
eurjchem-2303	22	10	to	to	PART
eurjchem-2303	22	11	look	look	VERB
eurjchem-2303	22	12	for	for	ADP
eurjchem-2303	22	13	new	new	ADJ
eurjchem-2303	22	14	methods	method	NOUN
eurjchem-2303	22	15	for	for	ADP
eurjchem-2303	22	16	amide	amide	NOUN
eurjchem-2303	22	17	bond	bond	NOUN
eurjchem-2303	22	18	formation	formation	NOUN
eurjchem-2303	22	19	that	that	PRON
eurjchem-2303	22	20	avoid	avoid	VERB
eurjchem-2303	22	21	the	the	DET
eurjchem-2303	22	22	formation	formation	NOUN
eurjchem-2303	22	23	of	of	ADP
eurjchem-2303	22	24	unwanted	unwanted	ADJ
eurjchem-2303	22	25	materials	material	NOUN
eurjchem-2303	22	26	while	while	SCONJ
eurjchem-2303	22	27	increasing	increase	VERB
eurjchem-2303	22	28	atom	atom	NOUN
eurjchem-2303	22	29	economy	economy	NOUN
eurjchem-2303	22	30	[	[	X
eurjchem-2303	22	31	13	13	NUM
eurjchem-2303	22	32	]	]	PUNCT
eurjchem-2303	22	33	.	.	PUNCT
eurjchem-2303	23	1	recent	recent	ADJ
eurjchem-2303	23	2	literature	literature	NOUN
eurjchem-2303	23	3	studies	study	NOUN
eurjchem-2303	23	4	revealed	reveal	VERB
eurjchem-2303	23	5	that	that	SCONJ
eurjchem-2303	23	6	acetamide	acetamide	NOUN
eurjchem-2303	23	7	and	and	CCONJ
eurjchem-2303	23	8	various	various	ADJ
eurjchem-2303	23	9	amide	amide	NOUN
eurjchem-2303	23	10	derivatives	derivative	NOUN
eurjchem-2303	23	11	showed	show	VERB
eurjchem-2303	23	12	many	many	ADJ
eurjchem-2303	23	13	biological	biological	ADJ
eurjchem-2303	23	14	activities	activity	NOUN
eurjchem-2303	23	15	such	such	ADJ
eurjchem-2303	23	16	as	as	ADP
eurjchem-2303	23	17	antifungal	antifungal	ADJ
eurjchem-2303	23	18	,	,	PUNCT
eurjchem-2303	23	19	antibacterial	antibacterial	ADJ
eurjchem-2303	23	20	,	,	PUNCT
eurjchem-2303	23	21	antioxidant	antioxidant	ADJ
eurjchem-2303	23	22	,	,	PUNCT
eurjchem-2303	23	23	anticancer	anticancer	NOUN
eurjchem-2303	23	24	,	,	PUNCT
eurjchem-2303	23	25	antiinflammatory	antiinflammatory	NOUN
eurjchem-2303	23	26	,	,	PUNCT
eurjchem-2303	23	27	anti	anti	ADJ
eurjchem-2303	23	28	-	-	ADJ
eurjchem-2303	23	29	arthritic	arthritic	ADJ
eurjchem-2303	23	30	,	,	PUNCT
eurjchem-2303	23	31	anticancer	anticancer	NOUN
eurjchem-2303	23	32	,	,	PUNCT
eurjchem-2303	23	33	and	and	CCONJ
eurjchem-2303	23	34	anthelmintic	anthelmintic	ADJ
eurjchem-2303	23	35	activities	activity	NOUN
eurjchem-2303	23	36	[	[	X
eurjchem-2303	23	37	4	4	NUM
eurjchem-2303	23	38	-	-	SYM
eurjchem-2303	23	39	7	7	NUM
eurjchem-2303	23	40	]	]	PUNCT
eurjchem-2303	23	41	.	.	PUNCT
eurjchem-2303	24	1	numerous	numerous	ADJ
eurjchem-2303	24	2	acetamide	acetamide	NOUN
eurjchem-2303	24	3	derivatives	derivative	NOUN
eurjchem-2303	24	4	have	have	AUX
eurjchem-2303	24	5	been	be	AUX
eurjchem-2303	24	6	reported	report	VERB
eurjchem-2303	24	7	to	to	PART
eurjchem-2303	24	8	be	be	AUX
eurjchem-2303	24	9	active	active	ADJ
eurjchem-2303	24	10	as	as	ADP
eurjchem-2303	24	11	antimicrobial	antimicrobial	ADJ
eurjchem-2303	24	12	agents	agent	NOUN
eurjchem-2303	24	13	[	[	X
eurjchem-2303	24	14	8	8	NUM
eurjchem-2303	24	15	]	]	PUNCT
eurjchem-2303	24	16	.	.	PUNCT
eurjchem-2303	25	1	to	to	PART
eurjchem-2303	25	2	explore	explore	VERB
eurjchem-2303	25	3	the	the	DET
eurjchem-2303	25	4	effect	effect	NOUN
eurjchem-2303	25	5	of	of	ADP
eurjchem-2303	25	6	the	the	DET
eurjchem-2303	25	7	2mba	2mba	PROPN
eurjchem-2303	25	8	compound	compound	NOUN
eurjchem-2303	25	9	on	on	ADP
eurjchem-2303	25	10	breast	breast	NOUN
eurjchem-2303	25	11	cancer	cancer	NOUN
eurjchem-2303	25	12	,	,	PUNCT
eurjchem-2303	25	13	we	we	PRON
eurjchem-2303	25	14	use	use	VERB
eurjchem-2303	25	15	the	the	DET
eurjchem-2303	25	16	molecular	molecular	ADJ
eurjchem-2303	25	17	docking	docking	NOUN
eurjchem-2303	25	18	methodology	methodology	NOUN
eurjchem-2303	25	19	for	for	ADP
eurjchem-2303	25	20	the	the	DET
eurjchem-2303	25	21	evaluation	evaluation	NOUN
eurjchem-2303	25	22	of	of	ADP
eurjchem-2303	25	23	molecular	molecular	ADJ
eurjchem-2303	25	24	-	-	PUNCT
eurjchem-2303	25	25	level	level	NOUN
eurjchem-2303	25	26	interactions	interaction	NOUN
eurjchem-2303	25	27	with	with	ADP
eurjchem-2303	25	28	the	the	DET
eurjchem-2303	25	29	important	important	ADJ
eurjchem-2303	25	30	class	class	NOUN
eurjchem-2303	25	31	of	of	ADP
eurjchem-2303	25	32	drug	drug	NOUN
eurjchem-2303	25	33	targets	target	NOUN
eurjchem-2303	25	34	in	in	ADP
eurjchem-2303	25	35	breast	breast	NOUN
eurjchem-2303	25	36	cancer	cancer	NOUN
eurjchem-2303	25	37	treatment	treatment	NOUN
eurjchem-2303	25	38	[	[	X
eurjchem-2303	25	39	9	9	NUM
eurjchem-2303	25	40	]	]	PUNCT
eurjchem-2303	25	41	.	.	PUNCT
eurjchem-2303	26	1	the	the	DET
eurjchem-2303	26	2	admet	admet	PROPN
eurjchem-2303	26	3	properties	property	NOUN
eurjchem-2303	26	4	[	[	X
eurjchem-2303	26	5	10	10	NUM
eurjchem-2303	26	6	]	]	PUNCT
eurjchem-2303	26	7	and	and	CCONJ
eurjchem-2303	26	8	the	the	DET
eurjchem-2303	26	9	effect	effect	NOUN
eurjchem-2303	26	10	of	of	ADP
eurjchem-2303	26	11	the	the	DET
eurjchem-2303	26	12	amide	amide	NOUN
eurjchem-2303	26	13	compound	compound	NOUN
eurjchem-2303	26	14	against	against	ADP
eurjchem-2303	26	15	cancer	cancer	NOUN
eurjchem-2303	26	16	were	be	AUX
eurjchem-2303	26	17	predicted	predict	VERB
eurjchem-2303	26	18	using	use	VERB
eurjchem-2303	26	19	swiss	swiss	ADJ
eurjchem-2303	26	20	adme	adme	NOUN
eurjchem-2303	26	21	and	and	CCONJ
eurjchem-2303	26	22	way2drug	way2drug	PROPN
eurjchem-2303	26	23	servers	server	NOUN
eurjchem-2303	26	24	[	[	X
eurjchem-2303	26	25	11	11	NUM
eurjchem-2303	26	26	]	]	PUNCT
eurjchem-2303	26	27	,	,	PUNCT
eurjchem-2303	26	28	and	and	CCONJ
eurjchem-2303	26	29	the	the	DET
eurjchem-2303	26	30	molecular	molecular	ADJ
eurjchem-2303	26	31	docking	docking	NOUN
eurjchem-2303	26	32	of	of	ADP
eurjchem-2303	26	33	the	the	DET
eurjchem-2303	26	34	2mba	2mba	PROPN
eurjchem-2303	26	35	compound	compound	NOUN
eurjchem-2303	26	36	with	with	ADP
eurjchem-2303	26	37	drug	drug	NOUN
eurjchem-2303	26	38	targets	target	NOUN
eurjchem-2303	26	39	was	be	AUX
eurjchem-2303	26	40	carried	carry	VERB
eurjchem-2303	26	41	out	out	ADP
eurjchem-2303	26	42	through	through	ADP
eurjchem-2303	26	43	autodock	autodock	NOUN
eurjchem-2303	26	44	tools	tool	NOUN
eurjchem-2303	26	45	4.2	4.2	NUM
eurjchem-2303	27	1	[	[	X
eurjchem-2303	27	2	12	12	NUM
eurjchem-2303	27	3	]	]	PUNCT
eurjchem-2303	27	4	.	.	PUNCT
eurjchem-2303	28	1	2mba	2mba	NUM
eurjchem-2303	28	2	was	be	AUX
eurjchem-2303	28	3	docked	dock	VERB
eurjchem-2303	28	4	with	with	ADP
eurjchem-2303	28	5	a	a	DET
eurjchem-2303	28	6	total	total	NOUN
eurjchem-2303	28	7	of	of	ADP
eurjchem-2303	28	8	four	four	NUM
eurjchem-2303	28	9	drug	drug	NOUN
eurjchem-2303	28	10	targets	target	NOUN
eurjchem-2303	28	11	parp1	parp1	NOUN
eurjchem-2303	28	12	,	,	PUNCT
eurjchem-2303	28	13	parp2	parp2	PROPN
eurjchem-2303	28	14	,	,	PUNCT
eurjchem-2303	28	15	tankyrase	tankyrase	NOUN
eurjchem-2303	28	16	1	1	NUM
eurjchem-2303	28	17	,	,	PUNCT
eurjchem-2303	28	18	and	and	CCONJ
eurjchem-2303	28	19	tankyrase	tankyrase	NOUN
eurjchem-2303	28	20	2	2	NUM
eurjchem-2303	28	21	,	,	PUNCT
eurjchem-2303	28	22	belonging	belong	VERB
eurjchem-2303	28	23	to	to	ADP
eurjchem-2303	28	24	the	the	DET
eurjchem-2303	28	25	parp	parp	ADJ
eurjchem-2303	28	26	protein	protein	NOUN
eurjchem-2303	28	27	family	family	NOUN
eurjchem-2303	29	1	[	[	X
eurjchem-2303	29	2	13	13	NUM
eurjchem-2303	29	3	]	]	PUNCT
eurjchem-2303	29	4	.	.	PUNCT
eurjchem-2303	30	1	the	the	DET
eurjchem-2303	30	2	results	result	NOUN
eurjchem-2303	30	3	are	be	AUX
eurjchem-2303	30	4	compared	compare	VERB
eurjchem-2303	30	5	with	with	ADP
eurjchem-2303	30	6	data	datum	NOUN
eurjchem-2303	30	7	on	on	ADP
eurjchem-2303	30	8	drugs	drug	NOUN
eurjchem-2303	30	9	,	,	PUNCT
eurjchem-2303	30	10	olaparib	olaparib	NOUN
eurjchem-2303	30	11	and	and	CCONJ
eurjchem-2303	30	12	talazoparib	talazoparib	PROPN
eurjchem-2303	30	13	,	,	PUNCT
eurjchem-2303	30	14	which	which	PRON
eurjchem-2303	30	15	are	be	AUX
eurjchem-2303	30	16	available	available	ADJ
eurjchem-2303	30	17	for	for	ADP
eurjchem-2303	30	18	treatment	treatment	NOUN
eurjchem-2303	30	19	to	to	PART
eurjchem-2303	30	20	inhibit	inhibit	VERB
eurjchem-2303	30	21	molecular	molecular	ADJ
eurjchem-2303	30	22	targets	target	NOUN
eurjchem-2303	30	23	[	[	X
eurjchem-2303	30	24	14	14	NUM
eurjchem-2303	30	25	]	]	PUNCT
eurjchem-2303	30	26	.	.	PUNCT
eurjchem-2303	31	1	this	this	DET
eurjchem-2303	31	2	work	work	NOUN
eurjchem-2303	31	3	explains	explain	VERB
eurjchem-2303	31	4	crystallization	crystallization	NOUN
eurjchem-2303	31	5	,	,	PUNCT
eurjchem-2303	31	6	structure	structure	NOUN
eurjchem-2303	31	7	refinement	refinement	NOUN
eurjchem-2303	31	8	,	,	PUNCT
eurjchem-2303	31	9	hirshfeld	hirshfeld	PROPN
eurjchem-2303	31	10	surface	surface	NOUN
eurjchem-2303	31	11	analysis	analysis	NOUN
eurjchem-2303	31	12	,	,	PUNCT
eurjchem-2303	31	13	density	density	NOUN
eurjchem-2303	31	14	functional	functional	ADJ
eurjchem-2303	31	15	theory	theory	NOUN
eurjchem-2303	31	16	calculations	calculation	NOUN
eurjchem-2303	31	17	,	,	PUNCT
eurjchem-2303	31	18	and	and	CCONJ
eurjchem-2303	31	19	molecular	molecular	ADJ
eurjchem-2303	31	20	docking	docking	NOUN
eurjchem-2303	31	21	as	as	ADP
eurjchem-2303	31	22	an	an	DET
eurjchem-2303	31	23	important	important	ADJ
eurjchem-2303	31	24	study	study	NOUN
eurjchem-2303	31	25	on	on	ADP
eurjchem-2303	31	26	the	the	DET
eurjchem-2303	31	27	2mba	2mba	NUM
eurjchem-2303	31	28	compound	compound	NOUN
eurjchem-2303	31	29	[	[	X
eurjchem-2303	31	30	15	15	NUM
eurjchem-2303	31	31	]	]	SYM
eurjchem-2303	31	32	.	.	PUNCT
eurjchem-2303	32	1	2	2	X
eurjchem-2303	32	2	.	.	X
eurjchem-2303	32	3	experimental	experimental	ADJ
eurjchem-2303	32	4	2.1	2.1	NUM
eurjchem-2303	32	5	.	.	PUNCT
eurjchem-2303	33	1	instrumentation	instrumentation	NOUN
eurjchem-2303	33	2	abstract	abstract	ADJ
eurjchem-2303	33	3	research	research	NOUN
eurjchem-2303	33	4	article	article	NOUN
eurjchem-2303	33	5	keywords	keyword	VERB
eurjchem-2303	33	6	https://dx.doi.org/10.5155/eurjchem.13.4.440-450.2303	https://dx.doi.org/10.5155/eurjchem.13.4.440-450.2303	VERB
eurjchem-2303	33	7	https://www.eurjchem.com/	https://www.eurjchem.com/	NOUN
eurjchem-2303	33	8	https://dx.doi.org/10.5155/eurjchem.13.4.440-450.2303	https://dx.doi.org/10.5155/eurjchem.13.4.440-450.2303	PROPN
eurjchem-2303	33	9	mailto:hemamalini2k3@yahoo.com	mailto:hemamalini2k3@yahoo.com	PROPN
eurjchem-2303	33	10	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2303	33	11	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.13.4.440-450.2303&domain=pdf&date_stamp=2022-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.13.4.440-450.2303&domain=pdf&date_stamp=2022-12-31	PROPN
eurjchem-2303	33	12	murugan	murugan	PROPN
eurjchem-2303	33	13	et	et	PROPN
eurjchem-2303	33	14	al	al	PROPN
eurjchem-2303	33	15	.	.	PUNCT
eurjchem-2303	33	16	/	/	SYM
eurjchem-2303	33	17	european	european	PROPN
eurjchem-2303	33	18	journal	journal	PROPN
eurjchem-2303	33	19	of	of	ADP
eurjchem-2303	33	20	chemistry	chemistry	NOUN
eurjchem-2303	33	21	13	13	NUM
eurjchem-2303	33	22	(	(	PUNCT
eurjchem-2303	33	23	4	4	NUM
eurjchem-2303	33	24	)	)	PUNCT
eurjchem-2303	33	25	(	(	PUNCT
eurjchem-2303	33	26	2022	2022	NUM
eurjchem-2303	33	27	)	)	PUNCT
eurjchem-2303	33	28	440	440	NUM
eurjchem-2303	33	29	-	-	SYM
eurjchem-2303	33	30	450	450	NUM
eurjchem-2303	33	31	441	441	NUM
eurjchem-2303	33	32	2022	2022	NUM
eurjchem-2303	33	33	–	–	PUNCT
eurjchem-2303	33	34	european	european	ADJ
eurjchem-2303	33	35	journal	journal	NOUN
eurjchem-2303	33	36	of	of	ADP
eurjchem-2303	33	37	chemistry	chemistry	NOUN
eurjchem-2303	33	38	–	–	PUNCT
eurjchem-2303	33	39	cc	cc	NOUN
eurjchem-2303	33	40	by	by	ADP
eurjchem-2303	33	41	nc	nc	PROPN
eurjchem-2303	33	42	–	–	PUNCT
eurjchem-2303	33	43	doi	doi	PROPN
eurjchem-2303	33	44	:	:	PUNCT
eurjchem-2303	33	45	10.5155	10.5155	NUM
eurjchem-2303	33	46	/	/	SYM
eurjchem-2303	33	47	eurjchem.13.4.440	eurjchem.13.4.440	PRON
eurjchem-2303	33	48	-	-	SYM
eurjchem-2303	33	49	450.2303	450.2303	NUM
eurjchem-2303	33	50	table	table	NOUN
eurjchem-2303	33	51	1	1	NUM
eurjchem-2303	33	52	.	.	PUNCT
eurjchem-2303	33	53	crystal	crystal	NOUN
eurjchem-2303	33	54	data	datum	NOUN
eurjchem-2303	33	55	and	and	CCONJ
eurjchem-2303	33	56	structure	structure	NOUN
eurjchem-2303	33	57	refinement	refinement	NOUN
eurjchem-2303	33	58	parameters	parameter	NOUN
eurjchem-2303	33	59	for	for	ADP
eurjchem-2303	33	60	2mba	2mba	PRON
eurjchem-2303	33	61	.	.	PUNCT
eurjchem-2303	34	1	empirical	empirical	ADJ
eurjchem-2303	34	2	formula	formula	NOUN
eurjchem-2303	34	3	c10h13no2	c10h13no2	PROPN
eurjchem-2303	34	4	formula	formula	NOUN
eurjchem-2303	34	5	weight	weight	NOUN
eurjchem-2303	34	6	179.21	179.21	NUM
eurjchem-2303	34	7	temperature	temperature	NOUN
eurjchem-2303	34	8	(	(	PUNCT
eurjchem-2303	34	9	k	k	NOUN
eurjchem-2303	34	10	)	)	PUNCT
eurjchem-2303	34	11	296(2	296(2	NUM
eurjchem-2303	34	12	)	)	PUNCT
eurjchem-2303	34	13	crystal	crystal	NOUN
eurjchem-2303	34	14	system	system	NOUN
eurjchem-2303	34	15	monoclinic	monoclinic	ADJ
eurjchem-2303	34	16	space	space	NOUN
eurjchem-2303	34	17	group	group	NOUN
eurjchem-2303	34	18	p21	p21	PROPN
eurjchem-2303	34	19	/	/	SYM
eurjchem-2303	34	20	n	n	PROPN
eurjchem-2303	34	21	a	a	NOUN
eurjchem-2303	34	22	,	,	PUNCT
eurjchem-2303	34	23	(	(	PUNCT
eurjchem-2303	34	24	å	å	NOUN
eurjchem-2303	34	25	)	)	PUNCT
eurjchem-2303	34	26	9.1264(6	9.1264(6	NUM
eurjchem-2303	34	27	)	)	PUNCT
eurjchem-2303	34	28	b	b	NOUN
eurjchem-2303	34	29	,	,	PUNCT
eurjchem-2303	34	30	(	(	PUNCT
eurjchem-2303	34	31	å	å	NOUN
eurjchem-2303	34	32	)	)	PUNCT
eurjchem-2303	34	33	9.3375(7	9.3375(7	NUM
eurjchem-2303	34	34	)	)	PUNCT
eurjchem-2303	35	1	c	c	X
eurjchem-2303	35	2	,	,	PUNCT
eurjchem-2303	35	3	(	(	PUNCT
eurjchem-2303	35	4	å	å	NOUN
eurjchem-2303	35	5	)	)	PUNCT
eurjchem-2303	35	6	11.9385(8	11.9385(8	NUM
eurjchem-2303	35	7	)	)	PUNCT
eurjchem-2303	35	8	β	β	X
eurjchem-2303	35	9	(	(	PUNCT
eurjchem-2303	35	10	°	°	ADJ
eurjchem-2303	35	11	)	)	PUNCT
eurjchem-2303	35	12	95.745(5	95.745(5	NOUN
eurjchem-2303	35	13	)	)	PUNCT
eurjchem-2303	35	14	volume	volume	NOUN
eurjchem-2303	35	15	(	(	PUNCT
eurjchem-2303	35	16	å3	å3	PROPN
eurjchem-2303	35	17	)	)	PUNCT
eurjchem-2303	35	18	1012.26(12	1012.26(12	NUM
eurjchem-2303	35	19	)	)	PUNCT
eurjchem-2303	35	20	z	z	NOUN
eurjchem-2303	35	21	4	4	NUM
eurjchem-2303	35	22	ρcalc	ρcalc	NOUN
eurjchem-2303	35	23	(	(	PUNCT
eurjchem-2303	35	24	g	g	NOUN
eurjchem-2303	35	25	/	/	SYM
eurjchem-2303	35	26	cm3	cm3	NOUN
eurjchem-2303	35	27	)	)	PUNCT
eurjchem-2303	35	28	1.176	1.176	NUM
eurjchem-2303	35	29	μ	μ	NOUN
eurjchem-2303	35	30	(	(	PUNCT
eurjchem-2303	35	31	mm-1	mm-1	PROPN
eurjchem-2303	35	32	)	)	PUNCT
eurjchem-2303	35	33	0.082	0.082	NUM
eurjchem-2303	35	34	f(000	f(000	PROPN
eurjchem-2303	35	35	)	)	PUNCT
eurjchem-2303	35	36	384.0	384.0	NUM
eurjchem-2303	35	37	crystal	crystal	NOUN
eurjchem-2303	35	38	size	size	NOUN
eurjchem-2303	35	39	(	(	PUNCT
eurjchem-2303	35	40	mm3	mm3	PROPN
eurjchem-2303	35	41	)	)	PUNCT
eurjchem-2303	35	42	0.78	0.78	NUM
eurjchem-2303	35	43	×	×	NOUN
eurjchem-2303	35	44	0.657	0.657	NUM
eurjchem-2303	35	45	×	×	NOUN
eurjchem-2303	35	46	0.48	0.48	NUM
eurjchem-2303	35	47	radiation	radiation	NOUN
eurjchem-2303	35	48	mokα	mokα	NOUN
eurjchem-2303	35	49	(	(	PUNCT
eurjchem-2303	35	50	λ	λ	X
eurjchem-2303	35	51	=	=	SYM
eurjchem-2303	35	52	0.71073	0.71073	NUM
eurjchem-2303	35	53	)	)	PUNCT
eurjchem-2303	35	54	2θ	2θ	NUM
eurjchem-2303	35	55	range	range	VERB
eurjchem-2303	35	56	for	for	ADP
eurjchem-2303	35	57	data	data	NOUN
eurjchem-2303	35	58	collection	collection	NOUN
eurjchem-2303	35	59	(	(	PUNCT
eurjchem-2303	35	60	°	°	ADP
eurjchem-2303	35	61	)	)	PUNCT
eurjchem-2303	35	62	5.368	5.368	NUM
eurjchem-2303	35	63	to	to	ADP
eurjchem-2303	35	64	51.992	51.992	NUM
eurjchem-2303	35	65	index	index	NOUN
eurjchem-2303	35	66	ranges	range	VERB
eurjchem-2303	35	67	-11	-11	PUNCT
eurjchem-2303	35	68	≤	≤	NUM
eurjchem-2303	35	69	h	h	NOUN
eurjchem-2303	35	70	≤	≤	NUM
eurjchem-2303	35	71	11	11	NUM
eurjchem-2303	35	72	,	,	PUNCT
eurjchem-2303	35	73	-11	-11	PUNCT
eurjchem-2303	35	74	≤	≤	NUM
eurjchem-2303	36	1	k	k	X
eurjchem-2303	36	2	≤	≤	NUM
eurjchem-2303	36	3	11	11	NUM
eurjchem-2303	36	4	,	,	PUNCT
eurjchem-2303	36	5	-14	-14	PUNCT
eurjchem-2303	36	6	≤	≤	NUM
eurjchem-2303	36	7	l	l	NOUN
eurjchem-2303	36	8	≤	≤	NUM
eurjchem-2303	36	9	13	13	NUM
eurjchem-2303	36	10	reflections	reflection	NOUN
eurjchem-2303	36	11	collected	collect	VERB
eurjchem-2303	36	12	5632	5632	NUM
eurjchem-2303	36	13	independent	independent	ADJ
eurjchem-2303	36	14	reflections	reflection	NOUN
eurjchem-2303	36	15	1990	1990	NUM
eurjchem-2303	36	16	[	[	X
eurjchem-2303	36	17	rint	rint	NOUN
eurjchem-2303	36	18	=	=	SYM
eurjchem-2303	36	19	0.0377	0.0377	NUM
eurjchem-2303	36	20	,	,	PUNCT
eurjchem-2303	36	21	rsigma	rsigma	ADJ
eurjchem-2303	36	22	=	=	SYM
eurjchem-2303	36	23	0.0314	0.0314	NUM
eurjchem-2303	36	24	]	]	PUNCT
eurjchem-2303	36	25	data	data	NOUN
eurjchem-2303	36	26	/	/	SYM
eurjchem-2303	36	27	restraints	restraint	NOUN
eurjchem-2303	36	28	/	/	SYM
eurjchem-2303	36	29	parameters	parameter	NOUN
eurjchem-2303	36	30	1990/0/120	1990/0/120	NUM
eurjchem-2303	36	31	goodness	goodness	NOUN
eurjchem-2303	36	32	-	-	PUNCT
eurjchem-2303	36	33	of	of	ADP
eurjchem-2303	36	34	-	-	PUNCT
eurjchem-2303	36	35	fit	fit	NOUN
eurjchem-2303	36	36	on	on	ADP
eurjchem-2303	36	37	f2	f2	PROPN
eurjchem-2303	36	38	1.073	1.073	NUM
eurjchem-2303	36	39	final	final	ADJ
eurjchem-2303	36	40	r	r	NOUN
eurjchem-2303	36	41	indexes	index	NOUN
eurjchem-2303	37	1	[	[	X
eurjchem-2303	37	2	i≥2σ	i≥2σ	X
eurjchem-2303	37	3	(	(	PUNCT
eurjchem-2303	37	4	i	i	NOUN
eurjchem-2303	37	5	)	)	PUNCT
eurjchem-2303	37	6	]	]	PUNCT
eurjchem-2303	38	1	r1	r1	NOUN
eurjchem-2303	38	2	=	=	PUNCT
eurjchem-2303	38	3	0.0583	0.0583	NUM
eurjchem-2303	38	4	,	,	PUNCT
eurjchem-2303	38	5	wr2	wr2	PROPN
eurjchem-2303	38	6	=	=	NOUN
eurjchem-2303	39	1	0.1304	0.1304	NUM
eurjchem-2303	39	2	final	final	ADJ
eurjchem-2303	39	3	r	r	NOUN
eurjchem-2303	39	4	indexes	index	NOUN
eurjchem-2303	39	5	[	[	X
eurjchem-2303	39	6	all	all	DET
eurjchem-2303	39	7	data	datum	NOUN
eurjchem-2303	39	8	]	]	PUNCT
eurjchem-2303	39	9	r1	r1	PROPN
eurjchem-2303	39	10	=	=	SYM
eurjchem-2303	39	11	0.0870	0.0870	PROPN
eurjchem-2303	39	12	,	,	PUNCT
eurjchem-2303	39	13	wr2	wr2	PROPN
eurjchem-2303	39	14	=	=	SYM
eurjchem-2303	39	15	0.1444	0.1444	NUM
eurjchem-2303	39	16	largest	large	ADJ
eurjchem-2303	39	17	diff	diff	NOUN
eurjchem-2303	39	18	.	.	PUNCT
eurjchem-2303	39	19	peak	peak	PROPN
eurjchem-2303	39	20	/	/	SYM
eurjchem-2303	39	21	hole	hole	NOUN
eurjchem-2303	39	22	(	(	PUNCT
eurjchem-2303	39	23	e.å-3	e.å-3	PROPN
eurjchem-2303	39	24	)	)	PUNCT
eurjchem-2303	39	25	0.16/-0.17	0.16/-0.17	NOUN
eurjchem-2303	39	26	ccdc	ccdc	NOUN
eurjchem-2303	39	27	number	number	NOUN
eurjchem-2303	39	28	2145614	2145614	NUM
eurjchem-2303	39	29	o	o	NOUN
eurjchem-2303	39	30	nh2	nh2	PROPN
eurjchem-2303	39	31	ethanol	ethanol	NOUN
eurjchem-2303	39	32	reflux	reflux	NOUN
eurjchem-2303	39	33	o	o	NOUN
eurjchem-2303	39	34	n	n	CCONJ
eurjchem-2303	39	35	h	h	NOUN
eurjchem-2303	40	1	o	o	NOUN
eurjchem-2303	40	2	ho	ho	X
eurjchem-2303	40	3	o	o	PROPN
eurjchem-2303	40	4	scheme	scheme	NOUN
eurjchem-2303	40	5	1	1	NUM
eurjchem-2303	40	6	.	.	PUNCT
eurjchem-2303	40	7	synthesis	synthesis	NOUN
eurjchem-2303	40	8	of	of	ADP
eurjchem-2303	40	9	n-(2	n-(2	NOUN
eurjchem-2303	40	10	-	-	PUNCT
eurjchem-2303	40	11	methoxy	methoxy	ADJ
eurjchem-2303	40	12	-	-	PUNCT
eurjchem-2303	40	13	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	40	14	(	(	PUNCT
eurjchem-2303	40	15	2mba	2mba	NUM
eurjchem-2303	40	16	)	)	PUNCT
eurjchem-2303	40	17	.	.	PUNCT
eurjchem-2303	41	1	the	the	DET
eurjchem-2303	41	2	ft	ft	PROPN
eurjchem-2303	41	3	-	-	PUNCT
eurjchem-2303	41	4	ir	ir	PROPN
eurjchem-2303	41	5	spectrum	spectrum	NOUN
eurjchem-2303	41	6	was	be	AUX
eurjchem-2303	41	7	recorded	record	VERB
eurjchem-2303	41	8	in	in	ADP
eurjchem-2303	41	9	a	a	DET
eurjchem-2303	41	10	ftir	ftir	ADJ
eurjchem-2303	41	11	perking	perk	VERB
eurjchem-2303	41	12	elmer	elmer	PROPN
eurjchem-2303	41	13	spectrum400	spectrum400	PROPN
eurjchem-2303	41	14	spectrophotometer	spectrophotometer	NOUN
eurjchem-2303	41	15	using	use	VERB
eurjchem-2303	41	16	the	the	DET
eurjchem-2303	41	17	kbr	kbr	PROPN
eurjchem-2303	41	18	pellet	pellet	NOUN
eurjchem-2303	41	19	method	method	NOUN
eurjchem-2303	41	20	.	.	PUNCT
eurjchem-2303	42	1	the	the	DET
eurjchem-2303	42	2	solution	solution	NOUN
eurjchem-2303	42	3	state	state	NOUN
eurjchem-2303	42	4	1h	1h	NUM
eurjchem-2303	42	5	nmr	nmr	NOUN
eurjchem-2303	42	6	and	and	CCONJ
eurjchem-2303	42	7	13c	13c	NOUN
eurjchem-2303	42	8	nmr	nmr	NOUN
eurjchem-2303	42	9	spectrum	spectrum	NOUN
eurjchem-2303	42	10	were	be	AUX
eurjchem-2303	42	11	recorded	record	VERB
eurjchem-2303	42	12	on	on	ADP
eurjchem-2303	42	13	a	a	DET
eurjchem-2303	42	14	bruker	bruker	PROPN
eurjchem-2303	42	15	advance	advance	NOUN
eurjchem-2303	42	16	iii	iii	PROPN
eurjchem-2303	42	17	hd	hd	PROPN
eurjchem-2303	42	18	nanobay	nanobay	NOUN
eurjchem-2303	42	19	400	400	NUM
eurjchem-2303	42	20	mhz	mhz	NOUN
eurjchem-2303	42	21	ftnmr	ftnmr	NOUN
eurjchem-2303	42	22	spectrometer	spectrometer	NOUN
eurjchem-2303	42	23	.	.	PUNCT
eurjchem-2303	43	1	the	the	DET
eurjchem-2303	43	2	sample	sample	NOUN
eurjchem-2303	43	3	was	be	AUX
eurjchem-2303	43	4	analyzed	analyze	VERB
eurjchem-2303	43	5	in	in	ADP
eurjchem-2303	43	6	deuterated	deuterate	VERB
eurjchem-2303	43	7	dmso	dmso	NOUN
eurjchem-2303	43	8	and	and	CCONJ
eurjchem-2303	43	9	the	the	DET
eurjchem-2303	43	10	chemical	chemical	ADJ
eurjchem-2303	43	11	shifts	shift	NOUN
eurjchem-2303	43	12	were	be	AUX
eurjchem-2303	43	13	relative	relative	ADJ
eurjchem-2303	43	14	to	to	PART
eurjchem-2303	43	15	tetramethylsilane	tetramethylsilane	VERB
eurjchem-2303	43	16	(	(	PUNCT
eurjchem-2303	43	17	tms	tms	PROPN
eurjchem-2303	43	18	)	)	PUNCT
eurjchem-2303	43	19	as	as	ADP
eurjchem-2303	43	20	reference	reference	NOUN
eurjchem-2303	43	21	[	[	X
eurjchem-2303	43	22	16,17	16,17	NUM
eurjchem-2303	43	23	]	]	PUNCT
eurjchem-2303	43	24	.	.	PUNCT
eurjchem-2303	44	1	2.2	2.2	NUM
eurjchem-2303	44	2	.	.	PUNCT
eurjchem-2303	44	3	synthesis	synthesis	NOUN
eurjchem-2303	44	4	of	of	ADP
eurjchem-2303	44	5	n-(2	n-(2	NOUN
eurjchem-2303	44	6	-	-	PUNCT
eurjchem-2303	44	7	methoxy	methoxy	ADJ
eurjchem-2303	44	8	-	-	PUNCT
eurjchem-2303	44	9	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	44	10	(	(	PUNCT
eurjchem-2303	44	11	2mba	2mba	NUM
eurjchem-2303	44	12	)	)	PUNCT
eurjchem-2303	44	13	all	all	DET
eurjchem-2303	44	14	the	the	DET
eurjchem-2303	44	15	chemicals	chemical	NOUN
eurjchem-2303	44	16	and	and	CCONJ
eurjchem-2303	44	17	solvents	solvent	NOUN
eurjchem-2303	44	18	used	use	VERB
eurjchem-2303	44	19	in	in	ADP
eurjchem-2303	44	20	this	this	DET
eurjchem-2303	44	21	investigation	investigation	NOUN
eurjchem-2303	44	22	were	be	AUX
eurjchem-2303	44	23	of	of	ADP
eurjchem-2303	44	24	analytical	analytical	ADJ
eurjchem-2303	44	25	reagent	reagent	ADJ
eurjchem-2303	44	26	grade	grade	NOUN
eurjchem-2303	44	27	.	.	PUNCT
eurjchem-2303	45	1	2	2	NUM
eurjchem-2303	45	2	-	-	PUNCT
eurjchem-2303	45	3	methoxy	methoxy	ADJ
eurjchem-2303	45	4	-	-	PUNCT
eurjchem-2303	45	5	benzylamine	benzylamine	NOUN
eurjchem-2303	45	6	and	and	CCONJ
eurjchem-2303	45	7	acetic	acetic	ADJ
eurjchem-2303	45	8	acid	acid	NOUN
eurjchem-2303	45	9	were	be	AUX
eurjchem-2303	45	10	purchased	purchase	VERB
eurjchem-2303	45	11	from	from	ADP
eurjchem-2303	45	12	merck	merck	PROPN
eurjchem-2303	45	13	and	and	CCONJ
eurjchem-2303	45	14	were	be	AUX
eurjchem-2303	45	15	used	use	VERB
eurjchem-2303	45	16	without	without	ADP
eurjchem-2303	45	17	further	further	ADJ
eurjchem-2303	45	18	purification	purification	NOUN
eurjchem-2303	45	19	.	.	PUNCT
eurjchem-2303	46	1	2	2	NUM
eurjchem-2303	46	2	-	-	PUNCT
eurjchem-2303	46	3	methoxy	methoxy	ADJ
eurjchem-2303	46	4	-	-	PUNCT
eurjchem-2303	46	5	benzylamine	benzylamine	NOUN
eurjchem-2303	46	6	(	(	PUNCT
eurjchem-2303	46	7	1	1	NUM
eurjchem-2303	46	8	mmol	mmol	NOUN
eurjchem-2303	46	9	,	,	PUNCT
eurjchem-2303	46	10	0.0343	0.0343	NUM
eurjchem-2303	46	11	g	g	NOUN
eurjchem-2303	46	12	)	)	PUNCT
eurjchem-2303	46	13	and	and	CCONJ
eurjchem-2303	46	14	acetic	acetic	ADJ
eurjchem-2303	46	15	acid	acid	NOUN
eurjchem-2303	46	16	(	(	PUNCT
eurjchem-2303	46	17	1	1	NUM
eurjchem-2303	46	18	mmol	mmol	NOUN
eurjchem-2303	46	19	,	,	PUNCT
eurjchem-2303	46	20	0.0150	0.0150	NUM
eurjchem-2303	46	21	g	g	NOUN
eurjchem-2303	46	22	)	)	PUNCT
eurjchem-2303	46	23	were	be	AUX
eurjchem-2303	46	24	dissolved	dissolve	VERB
eurjchem-2303	46	25	in	in	ADP
eurjchem-2303	46	26	25	25	NUM
eurjchem-2303	46	27	ml	ml	NOUN
eurjchem-2303	46	28	of	of	ADP
eurjchem-2303	46	29	ethanol	ethanol	NOUN
eurjchem-2303	46	30	and	and	CCONJ
eurjchem-2303	46	31	the	the	DET
eurjchem-2303	46	32	solution	solution	NOUN
eurjchem-2303	46	33	mixture	mixture	NOUN
eurjchem-2303	46	34	was	be	AUX
eurjchem-2303	46	35	heated	heat	VERB
eurjchem-2303	46	36	very	very	ADV
eurjchem-2303	46	37	slowly	slowly	ADV
eurjchem-2303	46	38	and	and	CCONJ
eurjchem-2303	46	39	refluxed	refluxe	VERB
eurjchem-2303	46	40	for	for	ADP
eurjchem-2303	46	41	6	6	NUM
eurjchem-2303	46	42	h	h	NOUN
eurjchem-2303	46	43	with	with	ADP
eurjchem-2303	46	44	constant	constant	ADJ
eurjchem-2303	46	45	stirring	stirring	NOUN
eurjchem-2303	46	46	.	.	PUNCT
eurjchem-2303	47	1	the	the	DET
eurjchem-2303	47	2	reaction	reaction	NOUN
eurjchem-2303	47	3	mixture	mixture	NOUN
eurjchem-2303	47	4	was	be	AUX
eurjchem-2303	47	5	then	then	ADV
eurjchem-2303	47	6	cooled	cool	VERB
eurjchem-2303	47	7	to	to	ADP
eurjchem-2303	47	8	room	room	NOUN
eurjchem-2303	47	9	temperature	temperature	NOUN
eurjchem-2303	47	10	and	and	CCONJ
eurjchem-2303	47	11	the	the	DET
eurjchem-2303	47	12	obtained	obtain	VERB
eurjchem-2303	47	13	precipitate	precipitate	NOUN
eurjchem-2303	47	14	was	be	AUX
eurjchem-2303	47	15	filtered	filter	VERB
eurjchem-2303	47	16	[	[	X
eurjchem-2303	47	17	15	15	NUM
eurjchem-2303	47	18	]	]	PUNCT
eurjchem-2303	47	19	.	.	PUNCT
eurjchem-2303	48	1	the	the	DET
eurjchem-2303	48	2	precipitate	precipitate	NOUN
eurjchem-2303	48	3	was	be	AUX
eurjchem-2303	48	4	recrystallized	recrystallize	VERB
eurjchem-2303	48	5	with	with	ADP
eurjchem-2303	48	6	ethanol	ethanol	NOUN
eurjchem-2303	48	7	.	.	PUNCT
eurjchem-2303	49	1	finally	finally	ADV
eurjchem-2303	49	2	,	,	PUNCT
eurjchem-2303	49	3	the	the	DET
eurjchem-2303	49	4	acquired	acquire	VERB
eurjchem-2303	49	5	product	product	NOUN
eurjchem-2303	49	6	n-(2	n-(2	NOUN
eurjchem-2303	49	7	-	-	PUNCT
eurjchem-2303	49	8	methoxy	methoxy	ADJ
eurjchem-2303	49	9	-	-	PUNCT
eurjchem-2303	49	10	benzyl)acetamide	benzyl)acetamide	NOUN
eurjchem-2303	49	11	is	be	AUX
eurjchem-2303	49	12	shown	show	VERB
eurjchem-2303	49	13	in	in	ADP
eurjchem-2303	49	14	scheme	scheme	NOUN
eurjchem-2303	49	15	1	1	NUM
eurjchem-2303	49	16	.	.	PUNCT
eurjchem-2303	49	17	n-(2	n-(2	ADJ
eurjchem-2303	49	18	-	-	PUNCT
eurjchem-2303	49	19	methoxy	methoxy	ADJ
eurjchem-2303	49	20	-	-	PUNCT
eurjchem-2303	49	21	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	49	22	(	(	PUNCT
eurjchem-2303	49	23	2mba	2mba	NUM
eurjchem-2303	49	24	):	):	PUNCT
eurjchem-2303	49	25	color	color	NOUN
eurjchem-2303	49	26	:	:	PUNCT
eurjchem-2303	49	27	white/	white/	DET
eurjchem-2303	49	28	needle	needle	NOUN
eurjchem-2303	49	29	shape	shape	NOUN
eurjchem-2303	49	30	.	.	PUNCT
eurjchem-2303	50	1	yield	yield	NOUN
eurjchem-2303	50	2	:	:	PUNCT
eurjchem-2303	50	3	76	76	NUM
eurjchem-2303	50	4	%	%	NOUN
eurjchem-2303	50	5	.	.	PUNCT
eurjchem-2303	51	1	m.p	m.p	PROPN
eurjchem-2303	51	2	.	.	PROPN
eurjchem-2303	51	3	:	:	PUNCT
eurjchem-2303	52	1	80	80	NUM
eurjchem-2303	52	2	-	-	SYM
eurjchem-2303	52	3	85	85	NUM
eurjchem-2303	52	4	°	°	NOUN
eurjchem-2303	52	5	c	c	NOUN
eurjchem-2303	52	6	.	.	PUNCT
eurjchem-2303	53	1	ft	ft	PROPN
eurjchem-2303	53	2	-	-	PUNCT
eurjchem-2303	53	3	ir	ir	PROPN
eurjchem-2303	53	4	(	(	PUNCT
eurjchem-2303	53	5	kbr	kbr	PROPN
eurjchem-2303	53	6	,	,	PUNCT
eurjchem-2303	53	7	ν	ν	PROPN
eurjchem-2303	53	8	,	,	PUNCT
eurjchem-2303	53	9	cm-1	cm-1	NUM
eurjchem-2303	53	10	):	):	PUNCT
eurjchem-2303	53	11	1603	1603	NUM
eurjchem-2303	53	12	(	(	PUNCT
eurjchem-2303	53	13	c	c	NOUN
eurjchem-2303	53	14	=	=	NOUN
eurjchem-2303	53	15	o	o	NOUN
eurjchem-2303	53	16	)	)	PUNCT
eurjchem-2303	53	17	,	,	PUNCT
eurjchem-2303	53	18	3015	3015	NUM
eurjchem-2303	53	19	(	(	PUNCT
eurjchem-2303	53	20	c	c	NOUN
eurjchem-2303	53	21	-	-	PUNCT
eurjchem-2303	53	22	h	h	NOUN
eurjchem-2303	53	23	)	)	PUNCT
eurjchem-2303	53	24	,	,	PUNCT
eurjchem-2303	53	25	3289	3289	NUM
eurjchem-2303	53	26	(	(	PUNCT
eurjchem-2303	53	27	n	n	CCONJ
eurjchem-2303	53	28	-	-	PUNCT
eurjchem-2303	53	29	h	h	NOUN
eurjchem-2303	53	30	)	)	PUNCT
eurjchem-2303	53	31	.	.	PUNCT
eurjchem-2303	54	1	1h	1h	NUM
eurjchem-2303	54	2	nmr	nmr	NOUN
eurjchem-2303	54	3	(	(	PUNCT
eurjchem-2303	54	4	400	400	NUM
eurjchem-2303	54	5	mhz	mhz	NOUN
eurjchem-2303	54	6	,	,	PUNCT
eurjchem-2303	54	7	dmsod6	dmsod6	PROPN
eurjchem-2303	54	8	,	,	PUNCT
eurjchem-2303	54	9	δ	δ	PROPN
eurjchem-2303	54	10	,	,	PUNCT
eurjchem-2303	54	11	ppm	ppm	NOUN
eurjchem-2303	54	12	):	):	PUNCT
eurjchem-2303	54	13	1.02	1.02	NUM
eurjchem-2303	54	14	(	(	PUNCT
eurjchem-2303	54	15	s	s	PROPN
eurjchem-2303	54	16	,	,	PUNCT
eurjchem-2303	54	17	3h	3h	NUM
eurjchem-2303	54	18	,	,	PUNCT
eurjchem-2303	54	19	ch3	ch3	PROPN
eurjchem-2303	54	20	)	)	PUNCT
eurjchem-2303	54	21	,	,	PUNCT
eurjchem-2303	54	22	3.79	3.79	NUM
eurjchem-2303	54	23	(	(	PUNCT
eurjchem-2303	54	24	s	s	PROPN
eurjchem-2303	54	25	,	,	PUNCT
eurjchem-2303	54	26	3h	3h	NUM
eurjchem-2303	54	27	,	,	PUNCT
eurjchem-2303	54	28	o	o	NOUN
eurjchem-2303	54	29	-	-	NOUN
eurjchem-2303	54	30	ch3	ch3	PROPN
eurjchem-2303	54	31	)	)	PUNCT
eurjchem-2303	54	32	,	,	PUNCT
eurjchem-2303	54	33	4.20	4.20	NUM
eurjchem-2303	54	34	(	(	PUNCT
eurjchem-2303	54	35	s	s	PROPN
eurjchem-2303	54	36	,	,	PUNCT
eurjchem-2303	54	37	2h	2h	NUM
eurjchem-2303	54	38	,	,	PUNCT
eurjchem-2303	54	39	ch2	ch2	PROPN
eurjchem-2303	54	40	)	)	PUNCT
eurjchem-2303	54	41	,	,	PUNCT
eurjchem-2303	54	42	6.90	6.90	NUM
eurjchem-2303	54	43	(	(	PUNCT
eurjchem-2303	54	44	t	t	PROPN
eurjchem-2303	54	45	,	,	PUNCT
eurjchem-2303	54	46	1h	1h	NUM
eurjchem-2303	54	47	,	,	PUNCT
eurjchem-2303	54	48	ar	ar	NOUN
eurjchem-2303	54	49	-	-	NOUN
eurjchem-2303	54	50	h	h	NOUN
eurjchem-2303	54	51	)	)	PUNCT
eurjchem-2303	54	52	,	,	PUNCT
eurjchem-2303	54	53	6.96	6.96	NUM
eurjchem-2303	54	54	(	(	PUNCT
eurjchem-2303	54	55	d	d	PROPN
eurjchem-2303	54	56	,	,	PUNCT
eurjchem-2303	54	57	1h	1h	NUM
eurjchem-2303	54	58	,	,	PUNCT
eurjchem-2303	54	59	ar	ar	NOUN
eurjchem-2303	54	60	-	-	NOUN
eurjchem-2303	54	61	h	h	NOUN
eurjchem-2303	54	62	)	)	PUNCT
eurjchem-2303	54	63	,	,	PUNCT
eurjchem-2303	54	64	7.10	7.10	NUM
eurjchem-2303	54	65	(	(	PUNCT
eurjchem-2303	54	66	d	d	PROPN
eurjchem-2303	54	67	,	,	PUNCT
eurjchem-2303	54	68	1h	1h	NUM
eurjchem-2303	54	69	,	,	PUNCT
eurjchem-2303	54	70	ar	ar	NOUN
eurjchem-2303	54	71	-	-	NOUN
eurjchem-2303	54	72	h	h	NOUN
eurjchem-2303	54	73	)	)	PUNCT
eurjchem-2303	54	74	,	,	PUNCT
eurjchem-2303	54	75	7.22	7.22	NUM
eurjchem-2303	54	76	(	(	PUNCT
eurjchem-2303	54	77	t	t	PROPN
eurjchem-2303	54	78	,	,	PUNCT
eurjchem-2303	54	79	1h	1h	NUM
eurjchem-2303	54	80	,	,	PUNCT
eurjchem-2303	54	81	ar	ar	NOUN
eurjchem-2303	54	82	-	-	NOUN
eurjchem-2303	54	83	h	h	NOUN
eurjchem-2303	54	84	)	)	PUNCT
eurjchem-2303	54	85	,	,	PUNCT
eurjchem-2303	54	86	8.08	8.08	NUM
eurjchem-2303	54	87	(	(	PUNCT
eurjchem-2303	54	88	s	s	PROPN
eurjchem-2303	54	89	,	,	PUNCT
eurjchem-2303	54	90	1h	1h	NUM
eurjchem-2303	54	91	,	,	PUNCT
eurjchem-2303	54	92	nh	nh	PROPN
eurjchem-2303	54	93	)	)	PUNCT
eurjchem-2303	54	94	.	.	PUNCT
eurjchem-2303	55	1	13c	13c	NOUN
eurjchem-2303	55	2	nmr	nmr	NOUN
eurjchem-2303	55	3	(	(	PUNCT
eurjchem-2303	55	4	100	100	NUM
eurjchem-2303	55	5	mhz	mhz	NOUN
eurjchem-2303	55	6	,	,	PUNCT
eurjchem-2303	55	7	dmsod6	dmsod6	PROPN
eurjchem-2303	55	8	,	,	PUNCT
eurjchem-2303	55	9	δ	δ	PROPN
eurjchem-2303	55	10	,	,	PUNCT
eurjchem-2303	55	11	ppm	ppm	NOUN
eurjchem-2303	55	12	):	):	PUNCT
eurjchem-2303	55	13	176.70	176.70	NUM
eurjchem-2303	55	14	,	,	PUNCT
eurjchem-2303	55	15	157.02	157.02	NUM
eurjchem-2303	55	16	,	,	PUNCT
eurjchem-2303	55	17	128.34	128.34	NUM
eurjchem-2303	55	18	,	,	PUNCT
eurjchem-2303	55	19	127.68	127.68	NUM
eurjchem-2303	55	20	,	,	PUNCT
eurjchem-2303	55	21	127.49	127.49	NUM
eurjchem-2303	55	22	,	,	PUNCT
eurjchem-2303	55	23	120.57	120.57	NUM
eurjchem-2303	55	24	,	,	PUNCT
eurjchem-2303	55	25	110.87	110.87	NUM
eurjchem-2303	55	26	,	,	PUNCT
eurjchem-2303	55	27	37.28	37.28	NUM
eurjchem-2303	55	28	,	,	PUNCT
eurjchem-2303	55	29	34.43	34.43	NUM
eurjchem-2303	55	30	,	,	PUNCT
eurjchem-2303	55	31	20.11	20.11	NUM
eurjchem-2303	55	32	.	.	PUNCT
eurjchem-2303	55	33	2.3	2.3	NUM
eurjchem-2303	55	34	.	.	PUNCT
eurjchem-2303	56	1	single	single	ADJ
eurjchem-2303	56	2	crystal	crystal	NOUN
eurjchem-2303	56	3	structure	structure	NOUN
eurjchem-2303	56	4	determination	determination	NOUN
eurjchem-2303	56	5	single	single	ADJ
eurjchem-2303	56	6	crystal	crystal	NOUN
eurjchem-2303	56	7	x	x	PROPN
eurjchem-2303	56	8	-	-	NOUN
eurjchem-2303	56	9	ray	ray	NOUN
eurjchem-2303	56	10	diffraction	diffraction	NOUN
eurjchem-2303	56	11	analysis	analysis	NOUN
eurjchem-2303	56	12	was	be	AUX
eurjchem-2303	56	13	carried	carry	VERB
eurjchem-2303	56	14	out	out	ADP
eurjchem-2303	56	15	on	on	ADP
eurjchem-2303	56	16	stoe	stoe	PROPN
eurjchem-2303	56	17	ipds	ipds	PROPN
eurjchem-2303	56	18	diffractometer	diffractometer	NOUN
eurjchem-2303	56	19	using	use	VERB
eurjchem-2303	56	20	a	a	DET
eurjchem-2303	56	21	mokα	mokα	ADJ
eurjchem-2303	56	22	radiation	radiation	NOUN
eurjchem-2303	56	23	(	(	PUNCT
eurjchem-2303	56	24	λ	λ	X
eurjchem-2303	56	25	=	=	SYM
eurjchem-2303	56	26	0.71073	0.71073	NUM
eurjchem-2303	56	27	å	å	NOUN
eurjchem-2303	56	28	)	)	PUNCT
eurjchem-2303	56	29	at	at	ADP
eurjchem-2303	56	30	296(2	296(2	NUM
eurjchem-2303	56	31	)	)	PUNCT
eurjchem-2303	56	32	k.	k.	NOUN
eurjchem-2303	57	1	the	the	DET
eurjchem-2303	57	2	softwares	software	NOUN
eurjchem-2303	57	3	used	use	VERB
eurjchem-2303	57	4	for	for	ADP
eurjchem-2303	57	5	crystal	crystal	NOUN
eurjchem-2303	57	6	structure	structure	NOUN
eurjchem-2303	57	7	analysis	analysis	NOUN
eurjchem-2303	57	8	:	:	PUNCT
eurjchem-2303	57	9	to	to	ADP
eurjchem-2303	57	10	data	data	NOUN
eurjchem-2303	57	11	collection	collection	NOUN
eurjchem-2303	57	12	,	,	PUNCT
eurjchem-2303	57	13	apex3	apex3	X
eurjchem-2303	58	1	[	[	X
eurjchem-2303	58	2	18	18	NUM
eurjchem-2303	58	3	]	]	PUNCT
eurjchem-2303	58	4	;	;	PUNCT
eurjchem-2303	58	5	to	to	PART
eurjchem-2303	58	6	cell	cell	NOUN
eurjchem-2303	58	7	refinement	refinement	NOUN
eurjchem-2303	58	8	and	and	CCONJ
eurjchem-2303	58	9	data	datum	NOUN
eurjchem-2303	58	10	reduction	reduction	NOUN
eurjchem-2303	58	11	,	,	PUNCT
eurjchem-2303	58	12	saint	saint	PROPN
eurjchem-2303	59	1	[	[	X
eurjchem-2303	59	2	19	19	NUM
eurjchem-2303	59	3	]	]	PUNCT
eurjchem-2303	59	4	;	;	PUNCT
eurjchem-2303	59	5	to	to	PART
eurjchem-2303	59	6	solve	solve	VERB
eurjchem-2303	59	7	the	the	DET
eurjchem-2303	59	8	structure	structure	NOUN
eurjchem-2303	59	9	,	,	PUNCT
eurjchem-2303	59	10	shelxs-97	shelxs-97	PROPN
eurjchem-2303	59	11	[	[	X
eurjchem-2303	59	12	20,21	20,21	NUM
eurjchem-2303	59	13	]	]	PUNCT
eurjchem-2303	59	14	,	,	PUNCT
eurjchem-2303	59	15	to	to	PART
eurjchem-2303	59	16	refine	refine	VERB
eurjchem-2303	59	17	the	the	DET
eurjchem-2303	59	18	structure	structure	NOUN
eurjchem-2303	59	19	,	,	PUNCT
eurjchem-2303	59	20	shelxl-97	shelxl-97	PROPN
eurjchem-2303	59	21	[	[	X
eurjchem-2303	59	22	20,21	20,21	NUM
eurjchem-2303	59	23	]	]	PUNCT
eurjchem-2303	59	24	,	,	PUNCT
eurjchem-2303	59	25	to	to	ADP
eurjchem-2303	59	26	molecular	molecular	ADJ
eurjchem-2303	59	27	graphics	graphic	NOUN
eurjchem-2303	59	28	and	and	CCONJ
eurjchem-2303	59	29	publication	publication	NOUN
eurjchem-2303	59	30	material	material	NOUN
eurjchem-2303	59	31	,	,	PUNCT
eurjchem-2303	59	32	olex2	olex2	PROPN
eurjchem-2303	60	1	[	[	X
eurjchem-2303	60	2	22	22	NUM
eurjchem-2303	60	3	]	]	PUNCT
eurjchem-2303	60	4	and	and	CCONJ
eurjchem-2303	60	5	ortep3	ortep3	NOUN
eurjchem-2303	61	1	[	[	X
eurjchem-2303	61	2	23	23	NUM
eurjchem-2303	61	3	]	]	PUNCT
eurjchem-2303	61	4	.	.	PUNCT
eurjchem-2303	62	1	the	the	DET
eurjchem-2303	62	2	crystal	crystal	NOUN
eurjchem-2303	62	3	data	datum	NOUN
eurjchem-2303	62	4	and	and	CCONJ
eurjchem-2303	62	5	structure	structure	NOUN
eurjchem-2303	62	6	refinement	refinement	NOUN
eurjchem-2303	62	7	parameter	parameter	NOUN
eurjchem-2303	62	8	details	detail	NOUN
eurjchem-2303	62	9	are	be	AUX
eurjchem-2303	62	10	given	give	VERB
eurjchem-2303	62	11	in	in	ADP
eurjchem-2303	62	12	table	table	NOUN
eurjchem-2303	62	13	1	1	NUM
eurjchem-2303	62	14	.	.	PUNCT
eurjchem-2303	63	1	all	all	DET
eurjchem-2303	63	2	h	h	NOUN
eurjchem-2303	63	3	atoms	atom	NOUN
eurjchem-2303	63	4	were	be	AUX
eurjchem-2303	63	5	positioned	position	VERB
eurjchem-2303	63	6	geometrically	geometrically	ADV
eurjchem-2303	63	7	(	(	PUNCT
eurjchem-2303	63	8	n	n	CCONJ
eurjchem-2303	63	9	-	-	PUNCT
eurjchem-2303	63	10	h	h	NOUN
eurjchem-2303	63	11	=	=	NOUN
eurjchem-2303	63	12	0.86	0.86	NUM
eurjchem-2303	63	13	å	å	NOUN
eurjchem-2303	63	14	and	and	CCONJ
eurjchem-2303	63	15	c	c	NOUN
eurjchem-2303	63	16	-	-	ADJ
eurjchem-2303	63	17	h	h	NOUN
eurjchem-2303	63	18	=	=	NOUN
eurjchem-2303	63	19	0.93	0.93	NUM
eurjchem-2303	63	20	-	-	PUNCT
eurjchem-2303	63	21	0.97	0.97	NUM
eurjchem-2303	63	22	å	å	PROPN
eurjchem-2303	63	23	were	be	AUX
eurjchem-2303	63	24	refined	refine	VERB
eurjchem-2303	63	25	using	use	VERB
eurjchem-2303	63	26	a	a	DET
eurjchem-2303	63	27	riding	ride	VERB
eurjchem-2303	63	28	model	model	NOUN
eurjchem-2303	63	29	,	,	PUNCT
eurjchem-2303	63	30	with	with	ADP
eurjchem-2303	63	31	uiso(h	uiso(h	NOUN
eurjchem-2303	63	32	)	)	PUNCT
eurjchem-2303	63	33	=	=	SYM
eurjchem-2303	63	34	1.2	1.2	NUM
eurjchem-2303	63	35	or	or	CCONJ
eurjchem-2303	63	36	1.5ueq(c	1.5ueq(c	NOUN
eurjchem-2303	63	37	,	,	PUNCT
eurjchem-2303	63	38	o	o	NOUN
eurjchem-2303	63	39	)	)	PUNCT
eurjchem-2303	63	40	.	.	PUNCT
eurjchem-2303	64	1	2.4	2.4	NUM
eurjchem-2303	64	2	.	.	PUNCT
eurjchem-2303	65	1	hirshfeld	hirshfeld	PROPN
eurjchem-2303	65	2	surface	surface	NOUN
eurjchem-2303	65	3	analysis	analysis	NOUN
eurjchem-2303	65	4	to	to	PART
eurjchem-2303	65	5	analyze	analyze	VERB
eurjchem-2303	65	6	the	the	DET
eurjchem-2303	65	7	intermolecular	intermolecular	ADJ
eurjchem-2303	65	8	interactions	interaction	NOUN
eurjchem-2303	65	9	in	in	ADP
eurjchem-2303	65	10	the	the	DET
eurjchem-2303	65	11	crystal	crystal	NOUN
eurjchem-2303	65	12	structure	structure	NOUN
eurjchem-2303	65	13	,	,	PUNCT
eurjchem-2303	65	14	hirshfeld	hirshfeld	PROPN
eurjchem-2303	65	15	surfaces	surface	NOUN
eurjchem-2303	65	16	were	be	AUX
eurjchem-2303	65	17	mapped	map	VERB
eurjchem-2303	65	18	with	with	ADP
eurjchem-2303	65	19	dnorm	dnorm	NOUN
eurjchem-2303	65	20	,	,	PUNCT
eurjchem-2303	65	21	and	and	CCONJ
eurjchem-2303	65	22	their	their	PRON
eurjchem-2303	65	23	associated	associated	ADJ
eurjchem-2303	65	24	2d	2d	NUM
eurjchem-2303	65	25	fingerprint	fingerprint	NOUN
eurjchem-2303	65	26	was	be	AUX
eurjchem-2303	65	27	plotted	plot	VERB
eurjchem-2303	65	28	using	use	VERB
eurjchem-2303	65	29	crystal	crystal	NOUN
eurjchem-2303	65	30	explorer	explorer	NOUN
eurjchem-2303	65	31	17.5	17.5	NUM
eurjchem-2303	66	1	[	[	X
eurjchem-2303	66	2	24	24	NUM
eurjchem-2303	66	3	]	]	PUNCT
eurjchem-2303	66	4	.	.	PUNCT
eurjchem-2303	67	1	2.5	2.5	NUM
eurjchem-2303	67	2	.	.	PUNCT
eurjchem-2303	68	1	computational	computational	ADJ
eurjchem-2303	68	2	study	study	NOUN
eurjchem-2303	68	3	theoretical	theoretical	ADJ
eurjchem-2303	68	4	calculations	calculation	NOUN
eurjchem-2303	68	5	were	be	AUX
eurjchem-2303	68	6	obtained	obtain	VERB
eurjchem-2303	68	7	by	by	ADP
eurjchem-2303	68	8	density	density	NOUN
eurjchem-2303	68	9	functional	functional	ADJ
eurjchem-2303	68	10	theory	theory	NOUN
eurjchem-2303	68	11	(	(	PUNCT
eurjchem-2303	68	12	dft	dft	PROPN
eurjchem-2303	68	13	)	)	PUNCT
eurjchem-2303	68	14	with	with	ADP
eurjchem-2303	68	15	the	the	DET
eurjchem-2303	68	16	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	68	17	-	-	PUNCT
eurjchem-2303	68	18	311g++(d	311g++(d	NUM
eurjchem-2303	68	19	,	,	PUNCT
eurjchem-2303	68	20	p	p	NOUN
eurjchem-2303	68	21	)	)	PUNCT
eurjchem-2303	68	22	basis	basis	NOUN
eurjchem-2303	68	23	set	set	NOUN
eurjchem-2303	68	24	using	use	VERB
eurjchem-2303	68	25	the	the	DET
eurjchem-2303	68	26	gaussian	gaussian	NOUN
eurjchem-2303	68	27	09w	09w	NOUN
eurjchem-2303	69	1	program	program	NOUN
eurjchem-2303	69	2	[	[	X
eurjchem-2303	69	3	25	25	NUM
eurjchem-2303	69	4	]	]	PUNCT
eurjchem-2303	69	5	.	.	PUNCT
eurjchem-2303	70	1	additionally	additionally	ADV
eurjchem-2303	70	2	,	,	PUNCT
eurjchem-2303	70	3	the	the	DET
eurjchem-2303	70	4	homolumo	homolumo	ADJ
eurjchem-2303	70	5	energies	energy	NOUN
eurjchem-2303	70	6	and	and	CCONJ
eurjchem-2303	70	7	molecular	molecular	ADJ
eurjchem-2303	70	8	electrostatic	electrostatic	ADJ
eurjchem-2303	70	9	potential	potential	NOUN
eurjchem-2303	70	10	were	be	AUX
eurjchem-2303	70	11	calculated	calculate	VERB
eurjchem-2303	70	12	with	with	ADP
eurjchem-2303	70	13	the	the	DET
eurjchem-2303	70	14	same	same	ADJ
eurjchem-2303	70	15	level	level	NOUN
eurjchem-2303	70	16	of	of	ADP
eurjchem-2303	70	17	theory	theory	NOUN
eurjchem-2303	70	18	.	.	PUNCT
eurjchem-2303	71	1	in	in	ADP
eurjchem-2303	71	2	silico	silico	NOUN
eurjchem-2303	71	3	adme	adme	NOUN
eurjchem-2303	71	4	screening	screen	VERB
eurjchem-2303	71	5	using	use	VERB
eurjchem-2303	71	6	the	the	DET
eurjchem-2303	71	7	swissadme	swissadme	NOUN
eurjchem-2303	71	8	website	website	NOUN
eurjchem-2303	71	9	(	(	PUNCT
eurjchem-2303	71	10	http://www.swissad	http://www.swissad	PROPN
eurjchem-2303	71	11	me.ch/index.php	me.ch/index.php	PROPN
eurjchem-2303	71	12	)	)	PUNCT
eurjchem-2303	71	13	to	to	PART
eurjchem-2303	71	14	evaluate	evaluate	VERB
eurjchem-2303	71	15	individual	individual	ADJ
eurjchem-2303	71	16	adme	adme	NOUN
eurjchem-2303	71	17	behavior	behavior	NOUN
eurjchem-2303	71	18	,	,	PUNCT
eurjchem-2303	71	19	such	such	ADJ
eurjchem-2303	71	20	as	as	ADP
eurjchem-2303	71	21	physiochemical	physiochemical	ADJ
eurjchem-2303	71	22	properties	property	NOUN
eurjchem-2303	71	23	,	,	PUNCT
eurjchem-2303	71	24	lipophilicity	lipophilicity	NOUN
eurjchem-2303	71	25	,	,	PUNCT
eurjchem-2303	71	26	water	water	NOUN
eurjchem-2303	71	27	solubility	solubility	NOUN
eurjchem-2303	71	28	,	,	PUNCT
eurjchem-2303	71	29	pharmacokinetics	pharmacokinetic	NOUN
eurjchem-2303	71	30	,	,	PUNCT
eurjchem-2303	71	31	drug	drug	NOUN
eurjchem-2303	71	32	likeness	likeness	NOUN
eurjchem-2303	71	33	and	and	CCONJ
eurjchem-2303	71	34	boiled	boil	VERB
eurjchem-2303	71	35	egg	egg	NOUN
eurjchem-2303	71	36	properties	property	NOUN
eurjchem-2303	71	37	of	of	ADP
eurjchem-2303	71	38	2mba	2mba	PROPN
eurjchem-2303	71	39	[	[	X
eurjchem-2303	71	40	26	26	NUM
eurjchem-2303	71	41	-	-	SYM
eurjchem-2303	71	42	29	29	NUM
eurjchem-2303	71	43	]	]	PUNCT
eurjchem-2303	71	44	.	.	PUNCT
eurjchem-2303	72	1	the	the	DET
eurjchem-2303	72	2	biological	biological	ADJ
eurjchem-2303	72	3	activity	activity	NOUN
eurjchem-2303	72	4	of	of	ADP
eurjchem-2303	72	5	the	the	DET
eurjchem-2303	72	6	title	title	NOUN
eurjchem-2303	72	7	compound	compound	NOUN
eurjchem-2303	72	8	was	be	AUX
eurjchem-2303	72	9	predicted	predict	VERB
eurjchem-2303	72	10	using	use	VERB
eurjchem-2303	72	11	the	the	DET
eurjchem-2303	72	12	free	free	ADJ
eurjchem-2303	72	13	online	online	NOUN
eurjchem-2303	72	14	webserver	webserver	NOUN
eurjchem-2303	72	15	way2drug	way2drug	PROPN
eurjchem-2303	72	16	(	(	PUNCT
eurjchem-2303	72	17	http://www.way2drug.com/index.php	http://www.way2drug.com/index.php	PROPN
eurjchem-2303	72	18	)	)	PUNCT
eurjchem-2303	72	19	to	to	PART
eurjchem-2303	72	20	predict	predict	VERB
eurjchem-2303	72	21	the	the	DET
eurjchem-2303	72	22	effect	effect	NOUN
eurjchem-2303	72	23	of	of	ADP
eurjchem-2303	72	24	the	the	DET
eurjchem-2303	72	25	compound	compound	NOUN
eurjchem-2303	72	26	against	against	ADP
eurjchem-2303	72	27	different	different	ADJ
eurjchem-2303	72	28	biological	biological	ADJ
eurjchem-2303	72	29	assays	assay	NOUN
eurjchem-2303	73	1	[	[	X
eurjchem-2303	73	2	11	11	NUM
eurjchem-2303	73	3	]	]	PUNCT
eurjchem-2303	73	4	.	.	PUNCT
eurjchem-2303	74	1	from	from	ADP
eurjchem-2303	74	2	the	the	DET
eurjchem-2303	74	3	results	result	NOUN
eurjchem-2303	74	4	of	of	ADP
eurjchem-2303	74	5	predicted	predict	VERB
eurjchem-2303	74	6	biological	biological	ADJ
eurjchem-2303	74	7	activity	activity	NOUN
eurjchem-2303	74	8	,	,	PUNCT
eurjchem-2303	74	9	the	the	DET
eurjchem-2303	74	10	breast	breast	NOUN
eurjchem-2303	74	11	cancer	cancer	NOUN
eurjchem-2303	74	12	target	target	NOUN
eurjchem-2303	74	13	proteins	protein	NOUN
eurjchem-2303	74	14	were	be	AUX
eurjchem-2303	74	15	selected	select	VERB
eurjchem-2303	74	16	for	for	ADP
eurjchem-2303	74	17	molecular	molecular	ADJ
eurjchem-2303	74	18	docking	docking	NOUN
eurjchem-2303	74	19	and	and	CCONJ
eurjchem-2303	74	20	the	the	DET
eurjchem-2303	74	21	title	title	NOUN
eurjchem-2303	74	22	compound	compound	NOUN
eurjchem-2303	74	23	was	be	AUX
eurjchem-2303	74	24	docked	dock	VERB
eurjchem-2303	74	25	with	with	ADP
eurjchem-2303	74	26	poly	poly	ADJ
eurjchem-2303	74	27	(	(	PUNCT
eurjchem-2303	74	28	adp	adp	PROPN
eurjchem-2303	74	29	-	-	PUNCT
eurjchem-2303	74	30	ribose	ribose	ADJ
eurjchem-2303	74	31	)	)	PUNCT
eurjchem-2303	74	32	polymerases	polymerase	NOUN
eurjchem-2303	74	33	(	(	PUNCT
eurjchem-2303	74	34	parp	parp	NOUN
eurjchem-2303	74	35	)	)	PUNCT
eurjchem-2303	74	36	,	,	PUNCT
eurjchem-2303	74	37	a	a	DET
eurjchem-2303	74	38	group	group	NOUN
eurjchem-2303	74	39	of	of	ADP
eurjchem-2303	74	40	potential	potential	ADJ
eurjchem-2303	74	41	drug	drug	NOUN
eurjchem-2303	74	42	targets	target	NOUN
eurjchem-2303	74	43	in	in	ADP
eurjchem-2303	74	44	cancer	cancer	NOUN
eurjchem-2303	74	45	therapy	therapy	NOUN
eurjchem-2303	75	1	[	[	X
eurjchem-2303	75	2	30	30	NUM
eurjchem-2303	75	3	]	]	PUNCT
eurjchem-2303	75	4	.	.	PUNCT
eurjchem-2303	76	1	the	the	DET
eurjchem-2303	76	2	crystal	crystal	NOUN
eurjchem-2303	76	3	structures	structure	NOUN
eurjchem-2303	76	4	of	of	ADP
eurjchem-2303	76	5	important	important	ADJ
eurjchem-2303	76	6	parp	parp	ADJ
eurjchem-2303	76	7	class	class	NOUN
eurjchem-2303	76	8	proteins	protein	NOUN
eurjchem-2303	76	9	such	such	ADJ
eurjchem-2303	76	10	as	as	ADP
eurjchem-2303	76	11	parp-1	parp-1	PROPN
eurjchem-2303	76	12	(	(	PUNCT
eurjchem-2303	76	13	pdb	pdb	NOUN
eurjchem-2303	76	14	:	:	PUNCT
eurjchem-2303	76	15	7kk2	7kk2	NUM
eurjchem-2303	76	16	)	)	PUNCT
eurjchem-2303	76	17	,	,	PUNCT
eurjchem-2303	76	18	parp-2	parp-2	PROPN
eurjchem-2303	76	19	(	(	PUNCT
eurjchem-2303	76	20	pdb	pdb	NOUN
eurjchem-2303	76	21	:	:	PUNCT
eurjchem-2303	76	22	4tvj	4tvj	NOUN
eurjchem-2303	76	23	)	)	PUNCT
eurjchem-2303	76	24	,	,	PUNCT
eurjchem-2303	76	25	tankyrase-1	tankyrase-1	PROPN
eurjchem-2303	76	26	(	(	PUNCT
eurjchem-2303	76	27	pdb	pdb	NOUN
eurjchem-2303	76	28	:	:	PUNCT
eurjchem-2303	76	29	7kkm	7kkm	PROPN
eurjchem-2303	76	30	)	)	PUNCT
eurjchem-2303	76	31	,	,	PUNCT
eurjchem-2303	76	32	tankyrase-2	tankyrase-2	PROPN
eurjchem-2303	76	33	(	(	PUNCT
eurjchem-2303	76	34	pdb	pdb	NOUN
eurjchem-2303	76	35	:	:	PUNCT
eurjchem-2303	76	36	3kr7	3kr7	NUM
eurjchem-2303	76	37	)	)	PUNCT
eurjchem-2303	76	38	were	be	AUX
eurjchem-2303	76	39	downloaded	download	VERB
eurjchem-2303	76	40	from	from	ADP
eurjchem-2303	76	41	the	the	DET
eurjchem-2303	76	42	rcsb	rcsb	NOUN
eurjchem-2303	76	43	database	database	NOUN
eurjchem-2303	76	44	[	[	X
eurjchem-2303	76	45	13,14	13,14	NUM
eurjchem-2303	76	46	]	]	PUNCT
eurjchem-2303	76	47	.	.	PUNCT
eurjchem-2303	77	1	http://www.way2drug.com/index.php	http://www.way2drug.com/index.php	PROPN
eurjchem-2303	77	2	442	442	NUM
eurjchem-2303	77	3	murugan	murugan	NOUN
eurjchem-2303	77	4	et	et	PROPN
eurjchem-2303	77	5	al	al	PROPN
eurjchem-2303	77	6	.	.	PUNCT
eurjchem-2303	77	7	/	/	SYM
eurjchem-2303	77	8	european	european	PROPN
eurjchem-2303	77	9	journal	journal	PROPN
eurjchem-2303	77	10	of	of	ADP
eurjchem-2303	77	11	chemistry	chemistry	NOUN
eurjchem-2303	77	12	13	13	NUM
eurjchem-2303	77	13	(	(	PUNCT
eurjchem-2303	77	14	4	4	NUM
eurjchem-2303	77	15	)	)	PUNCT
eurjchem-2303	77	16	(	(	PUNCT
eurjchem-2303	77	17	2022	2022	NUM
eurjchem-2303	77	18	)	)	PUNCT
eurjchem-2303	77	19	440	440	NUM
eurjchem-2303	77	20	-	-	SYM
eurjchem-2303	77	21	450	450	NUM
eurjchem-2303	77	22	2022	2022	NUM
eurjchem-2303	77	23	–	–	PUNCT
eurjchem-2303	77	24	european	european	ADJ
eurjchem-2303	77	25	journal	journal	NOUN
eurjchem-2303	77	26	of	of	ADP
eurjchem-2303	77	27	chemistry	chemistry	NOUN
eurjchem-2303	77	28	–	–	PUNCT
eurjchem-2303	77	29	cc	cc	NOUN
eurjchem-2303	77	30	by	by	ADP
eurjchem-2303	77	31	nc	nc	PROPN
eurjchem-2303	77	32	–	–	PUNCT
eurjchem-2303	77	33	doi	doi	PROPN
eurjchem-2303	77	34	:	:	PUNCT
eurjchem-2303	77	35	10.5155	10.5155	NUM
eurjchem-2303	77	36	/	/	SYM
eurjchem-2303	77	37	eurjchem.13.4.440	eurjchem.13.4.440	DET
eurjchem-2303	77	38	-	-	SYM
eurjchem-2303	77	39	450.2303	450.2303	NUM
eurjchem-2303	77	40	table	table	NOUN
eurjchem-2303	77	41	2	2	NUM
eurjchem-2303	77	42	.	.	PUNCT
eurjchem-2303	77	43	bond	bond	NOUN
eurjchem-2303	77	44	lengths	length	NOUN
eurjchem-2303	77	45	(	(	PUNCT
eurjchem-2303	77	46	å	å	NOUN
eurjchem-2303	77	47	)	)	PUNCT
eurjchem-2303	77	48	and	and	CCONJ
eurjchem-2303	77	49	bond	bond	NOUN
eurjchem-2303	77	50	angles	angle	NOUN
eurjchem-2303	77	51	(	(	PUNCT
eurjchem-2303	77	52	°	°	NOUN
eurjchem-2303	77	53	)	)	PUNCT
eurjchem-2303	77	54	for	for	ADP
eurjchem-2303	77	55	2mba	2mba	PROPN
eurjchem-2303	77	56	.	.	PUNCT
eurjchem-2303	77	57	atom	atom	NOUN
eurjchem-2303	77	58	atom	atom	NOUN
eurjchem-2303	77	59	length	length	NOUN
eurjchem-2303	77	60	atom	atom	NOUN
eurjchem-2303	77	61	atom	atom	NOUN
eurjchem-2303	77	62	length	length	NOUN
eurjchem-2303	77	63	x	x	NOUN
eurjchem-2303	77	64	-	-	NOUN
eurjchem-2303	77	65	ray	ray	NOUN
eurjchem-2303	77	66	dft	dft	PROPN
eurjchem-2303	77	67	x	x	PROPN
eurjchem-2303	77	68	-	-	NOUN
eurjchem-2303	77	69	ray	ray	PROPN
eurjchem-2303	77	70	dft	dft	PROPN
eurjchem-2303	77	71	o1	o1	PROPN
eurjchem-2303	77	72	c5	c5	PROPN
eurjchem-2303	77	73	1.366(2	1.366(2	NUM
eurjchem-2303	77	74	)	)	PUNCT
eurjchem-2303	77	75	1.374	1.374	NUM
eurjchem-2303	77	76	c6	c6	PROPN
eurjchem-2303	77	77	c7	c7	PROPN
eurjchem-2303	77	78	1.510(3	1.510(3	NUM
eurjchem-2303	77	79	)	)	PUNCT
eurjchem-2303	77	80	1.514	1.514	NUM
eurjchem-2303	77	81	o1	o1	NOUN
eurjchem-2303	77	82	c10	c10	VERB
eurjchem-2303	77	83	1.419(3	1.419(3	NUM
eurjchem-2303	77	84	)	)	PUNCT
eurjchem-2303	77	85	1.423	1.423	NUM
eurjchem-2303	77	86	c5	c5	PROPN
eurjchem-2303	77	87	c4	c4	PROPN
eurjchem-2303	77	88	1.373(3	1.373(3	NUM
eurjchem-2303	77	89	)	)	PUNCT
eurjchem-2303	77	90	1.394	1.394	NUM
eurjchem-2303	77	91	o2	o2	PROPN
eurjchem-2303	77	92	c8	c8	PROPN
eurjchem-2303	77	93	1.231(2	1.231(2	NUM
eurjchem-2303	77	94	)	)	PUNCT
eurjchem-2303	77	95	1.222	1.222	NUM
eurjchem-2303	77	96	c8	c8	PROPN
eurjchem-2303	77	97	c9	c9	PROPN
eurjchem-2303	77	98	1.496(3	1.496(3	NUM
eurjchem-2303	77	99	)	)	PUNCT
eurjchem-2303	77	100	1.519	1.519	NUM
eurjchem-2303	77	101	n1	n1	NOUN
eurjchem-2303	77	102	c8	c8	NOUN
eurjchem-2303	77	103	1.324(3	1.324(3	NUM
eurjchem-2303	77	104	)	)	PUNCT
eurjchem-2303	77	105	1.365	1.365	NUM
eurjchem-2303	77	106	c1	c1	PROPN
eurjchem-2303	77	107	c2	c2	PROPN
eurjchem-2303	77	108	1.382(3	1.382(3	NUM
eurjchem-2303	77	109	)	)	PUNCT
eurjchem-2303	77	110	1.396	1.396	NUM
eurjchem-2303	77	111	n1	n1	PROPN
eurjchem-2303	77	112	c7	c7	PROPN
eurjchem-2303	77	113	1.441(3	1.441(3	NUM
eurjchem-2303	77	114	)	)	PUNCT
eurjchem-2303	77	115	1.460	1.460	NUM
eurjchem-2303	77	116	c4	c4	NOUN
eurjchem-2303	77	117	c3	c3	NOUN
eurjchem-2303	77	118	1.381(3	1.381(3	NUM
eurjchem-2303	77	119	)	)	PUNCT
eurjchem-2303	77	120	1.397	1.397	NUM
eurjchem-2303	77	121	c6	c6	PROPN
eurjchem-2303	77	122	c5	c5	PROPN
eurjchem-2303	77	123	1.387(3	1.387(3	NUM
eurjchem-2303	77	124	)	)	PUNCT
eurjchem-2303	77	125	1.407	1.407	NUM
eurjchem-2303	77	126	c2	c2	PROPN
eurjchem-2303	77	127	c3	c3	PROPN
eurjchem-2303	77	128	1.363(4	1.363(4	NUM
eurjchem-2303	77	129	)	)	PUNCT
eurjchem-2303	77	130	1.388	1.388	NUM
eurjchem-2303	77	131	c6	c6	PROPN
eurjchem-2303	77	132	c1	c1	PROPN
eurjchem-2303	77	133	1.376(3	1.376(3	NUM
eurjchem-2303	77	134	)	)	PUNCT
eurjchem-2303	77	135	1.391	1.391	NUM
eurjchem-2303	77	136	atom	atom	NOUN
eurjchem-2303	77	137	atom	atom	NOUN
eurjchem-2303	77	138	atom	atom	NOUN
eurjchem-2303	77	139	angle	angle	NOUN
eurjchem-2303	77	140	atom	atom	NOUN
eurjchem-2303	77	141	atom	atom	NOUN
eurjchem-2303	77	142	atom	atom	NOUN
eurjchem-2303	77	143	angle	angle	NOUN
eurjchem-2303	77	144	x	x	NOUN
eurjchem-2303	77	145	-	-	NOUN
eurjchem-2303	77	146	ray	ray	NOUN
eurjchem-2303	77	147	dft	dft	PROPN
eurjchem-2303	77	148	x	x	PROPN
eurjchem-2303	77	149	-	-	NOUN
eurjchem-2303	77	150	ray	ray	NOUN
eurjchem-2303	77	151	dft	dft	PROPN
eurjchem-2303	77	152	c5	c5	PROPN
eurjchem-2303	77	153	o1	o1	PROPN
eurjchem-2303	77	154	c10	c10	VERB
eurjchem-2303	77	155	117.51(19	117.51(19	NUM
eurjchem-2303	77	156	)	)	PUNCT
eurjchem-2303	78	1	118.65	118.65	NUM
eurjchem-2303	78	2	o2	o2	PROPN
eurjchem-2303	78	3	c8	c8	PROPN
eurjchem-2303	78	4	n1	n1	PROPN
eurjchem-2303	78	5	122.4(2	122.4(2	NUM
eurjchem-2303	78	6	)	)	PUNCT
eurjchem-2303	78	7	123.06	123.06	NUM
eurjchem-2303	78	8	c8	c8	PROPN
eurjchem-2303	78	9	n1	n1	PROPN
eurjchem-2303	78	10	c7	c7	PROPN
eurjchem-2303	78	11	122.99(17	122.99(17	PROPN
eurjchem-2303	78	12	)	)	PUNCT
eurjchem-2303	78	13	122.77	122.77	NUM
eurjchem-2303	78	14	o2	o2	PROPN
eurjchem-2303	78	15	c8	c8	PROPN
eurjchem-2303	78	16	c9	c9	PROPN
eurjchem-2303	78	17	121.7(2	121.7(2	NUM
eurjchem-2303	78	18	)	)	PUNCT
eurjchem-2303	78	19	121.50	121.50	NUM
eurjchem-2303	78	20	c5	c5	PROPN
eurjchem-2303	78	21	c6	c6	PROPN
eurjchem-2303	78	22	c7	c7	PROPN
eurjchem-2303	78	23	118.98(17	118.98(17	NUM
eurjchem-2303	78	24	)	)	PUNCT
eurjchem-2303	78	25	120.15	120.15	NUM
eurjchem-2303	78	26	n1	n1	PROPN
eurjchem-2303	78	27	c8	c8	PROPN
eurjchem-2303	78	28	c9	c9	PROPN
eurjchem-2303	78	29	115.94(19	115.94(19	NUM
eurjchem-2303	78	30	)	)	PUNCT
eurjchem-2303	78	31	115.42	115.42	NUM
eurjchem-2303	78	32	c1	c1	PROPN
eurjchem-2303	78	33	c6	c6	PROPN
eurjchem-2303	78	34	c5	c5	PROPN
eurjchem-2303	78	35	118.02(18	118.02(18	NUM
eurjchem-2303	78	36	)	)	PUNCT
eurjchem-2303	79	1	118.02	118.02	NUM
eurjchem-2303	79	2	c6	c6	PROPN
eurjchem-2303	79	3	c1	c1	PROPN
eurjchem-2303	79	4	c2	c2	PROPN
eurjchem-2303	79	5	121.2(2	121.2(2	NUM
eurjchem-2303	79	6	)	)	PUNCT
eurjchem-2303	79	7	121.43	121.43	NUM
eurjchem-2303	79	8	c1	c1	PROPN
eurjchem-2303	79	9	c6	c6	PROPN
eurjchem-2303	79	10	c7	c7	PROPN
eurjchem-2303	79	11	122.99(18	122.99(18	NUM
eurjchem-2303	79	12	)	)	PUNCT
eurjchem-2303	79	13	121.43	121.43	NUM
eurjchem-2303	79	14	n1	n1	NOUN
eurjchem-2303	79	15	c7	c7	PROPN
eurjchem-2303	79	16	c6	c6	PROPN
eurjchem-2303	79	17	114.75(17	114.75(17	NUM
eurjchem-2303	79	18	)	)	PUNCT
eurjchem-2303	79	19	113.43	113.43	NUM
eurjchem-2303	79	20	o1	o1	NOUN
eurjchem-2303	79	21	c5	c5	PROPN
eurjchem-2303	79	22	c6	c6	PROPN
eurjchem-2303	79	23	115.08(18	115.08(18	NUM
eurjchem-2303	79	24	)	)	PUNCT
eurjchem-2303	79	25	115.32	115.32	NUM
eurjchem-2303	79	26	c5	c5	PROPN
eurjchem-2303	79	27	c4	c4	PROPN
eurjchem-2303	79	28	c3	c3	PROPN
eurjchem-2303	79	29	119.3(2	119.3(2	NUM
eurjchem-2303	79	30	)	)	PUNCT
eurjchem-2303	79	31	119.55	119.55	NUM
eurjchem-2303	79	32	o1	o1	NOUN
eurjchem-2303	79	33	c5	c5	PROPN
eurjchem-2303	79	34	c4	c4	PROPN
eurjchem-2303	79	35	123.62(19	123.62(19	NUM
eurjchem-2303	79	36	)	)	PUNCT
eurjchem-2303	79	37	123.92	123.92	NUM
eurjchem-2303	79	38	c3	c3	PROPN
eurjchem-2303	79	39	c2	c2	PROPN
eurjchem-2303	79	40	c1	c1	PROPN
eurjchem-2303	79	41	119.6(2	119.6(2	NUM
eurjchem-2303	79	42	)	)	PUNCT
eurjchem-2303	79	43	119.35	119.35	NUM
eurjchem-2303	79	44	c4	c4	NOUN
eurjchem-2303	79	45	c5	c5	PROPN
eurjchem-2303	79	46	c6	c6	PROPN
eurjchem-2303	79	47	121.29(19	121.29(19	NUM
eurjchem-2303	79	48	)	)	PUNCT
eurjchem-2303	79	49	120.74	120.74	NUM
eurjchem-2303	79	50	c2	c2	PROPN
eurjchem-2303	79	51	c3	c3	PROPN
eurjchem-2303	79	52	c4	c4	PROPN
eurjchem-2303	79	53	120.5(2	120.5(2	NUM
eurjchem-2303	79	54	)	)	PUNCT
eurjchem-2303	79	55	120.50	120.50	NUM
eurjchem-2303	79	56	table	table	NOUN
eurjchem-2303	79	57	3	3	NUM
eurjchem-2303	79	58	.	.	PUNCT
eurjchem-2303	79	59	hydrogen	hydrogen	NOUN
eurjchem-2303	79	60	bond	bond	NOUN
eurjchem-2303	79	61	interaction	interaction	NOUN
eurjchem-2303	79	62	of	of	ADP
eurjchem-2303	79	63	the	the	DET
eurjchem-2303	79	64	title	title	NOUN
eurjchem-2303	79	65	compound	compound	NOUN
eurjchem-2303	79	66	.	.	PUNCT
eurjchem-2303	80	1	d	d	X
eurjchem-2303	80	2	-	-	PUNCT
eurjchem-2303	80	3	h···a	h···a	NOUN
eurjchem-2303	80	4	d(d	d(d	PROPN
eurjchem-2303	80	5	-	-	PUNCT
eurjchem-2303	80	6	h	h	NOUN
eurjchem-2303	80	7	)	)	PUNCT
eurjchem-2303	80	8	,	,	PUNCT
eurjchem-2303	80	9	å	å	PROPN
eurjchem-2303	80	10	d(h···a	d(h···a	NOUN
eurjchem-2303	80	11	)	)	PUNCT
eurjchem-2303	80	12	,	,	PUNCT
eurjchem-2303	80	13	å	å	PROPN
eurjchem-2303	80	14	d(d···a	d(d···a	NOUN
eurjchem-2303	80	15	)	)	PUNCT
eurjchem-2303	80	16	,	,	PUNCT
eurjchem-2303	80	17	å	å	PROPN
eurjchem-2303	80	18	∠	∠	PROPN
eurjchem-2303	80	19	d	d	PROPN
eurjchem-2303	80	20	-	-	PUNCT
eurjchem-2303	80	21	h···a	h···a	PROPN
eurjchem-2303	80	22	,	,	PUNCT
eurjchem-2303	80	23	°	°	NUM
eurjchem-2303	80	24	symmetry	symmetry	NOUN
eurjchem-2303	80	25	n1	n1	NOUN
eurjchem-2303	80	26	-	-	PUNCT
eurjchem-2303	80	27	h1a···o2	h1a···o2	NOUN
eurjchem-2303	80	28	0.86	0.86	NUM
eurjchem-2303	80	29	1.99	1.99	NUM
eurjchem-2303	80	30	2.836(2	2.836(2	NUM
eurjchem-2303	80	31	)	)	PUNCT
eurjchem-2303	80	32	169.1	169.1	NUM
eurjchem-2303	80	33	3/2	3/2	NUM
eurjchem-2303	80	34	-	-	PUNCT
eurjchem-2303	80	35	x	x	NOUN
eurjchem-2303	80	36	,	,	PUNCT
eurjchem-2303	80	37	-1/2+y	-1/2+y	INTJ
eurjchem-2303	80	38	,	,	PUNCT
eurjchem-2303	80	39	1/2	1/2	NUM
eurjchem-2303	80	40	-	-	PUNCT
eurjchem-2303	80	41	z	z	NOUN
eurjchem-2303	80	42	figure	figure	NOUN
eurjchem-2303	80	43	1	1	NUM
eurjchem-2303	80	44	.	.	PUNCT
eurjchem-2303	81	1	the	the	DET
eurjchem-2303	81	2	asymmetric	asymmetric	ADJ
eurjchem-2303	81	3	unit	unit	NOUN
eurjchem-2303	81	4	of	of	ADP
eurjchem-2303	81	5	n-(2	n-(2	PROPN
eurjchem-2303	81	6	-	-	PUNCT
eurjchem-2303	81	7	methoxy	methoxy	ADJ
eurjchem-2303	81	8	-	-	PUNCT
eurjchem-2303	81	9	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	81	10	.	.	PUNCT
eurjchem-2303	81	11	figure	figure	NOUN
eurjchem-2303	81	12	2	2	NUM
eurjchem-2303	81	13	.	.	PUNCT
eurjchem-2303	82	1	the	the	DET
eurjchem-2303	82	2	package	package	NOUN
eurjchem-2303	82	3	of	of	ADP
eurjchem-2303	82	4	n-(2	n-(2	NOUN
eurjchem-2303	82	5	-	-	PUNCT
eurjchem-2303	82	6	methoxy	methoxy	ADJ
eurjchem-2303	82	7	-	-	PUNCT
eurjchem-2303	82	8	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	82	9	.	.	PUNCT
eurjchem-2303	83	1	autodock	autodock	NOUN
eurjchem-2303	83	2	tools	tool	NOUN
eurjchem-2303	83	3	4.2	4.2	NUM
eurjchem-2303	83	4	software	software	NOUN
eurjchem-2303	83	5	[	[	X
eurjchem-2303	83	6	12	12	NUM
eurjchem-2303	83	7	]	]	PUNCT
eurjchem-2303	83	8	was	be	AUX
eurjchem-2303	83	9	used	use	VERB
eurjchem-2303	83	10	for	for	ADP
eurjchem-2303	83	11	molecular	molecular	ADJ
eurjchem-2303	83	12	docking	docking	NOUN
eurjchem-2303	83	13	and	and	CCONJ
eurjchem-2303	83	14	the	the	DET
eurjchem-2303	83	15	grid	grid	NOUN
eurjchem-2303	83	16	box	box	NOUN
eurjchem-2303	83	17	parameters	parameter	NOUN
eurjchem-2303	83	18	was	be	AUX
eurjchem-2303	83	19	adjusted	adjust	VERB
eurjchem-2303	83	20	in	in	ADP
eurjchem-2303	83	21	the	the	DET
eurjchem-2303	83	22	active	active	ADJ
eurjchem-2303	83	23	site	site	NOUN
eurjchem-2303	83	24	residues	residue	NOUN
eurjchem-2303	83	25	of	of	ADP
eurjchem-2303	83	26	protein	protein	NOUN
eurjchem-2303	83	27	targets	target	NOUN
eurjchem-2303	83	28	and	and	CCONJ
eurjchem-2303	83	29	the	the	DET
eurjchem-2303	83	30	results	result	NOUN
eurjchem-2303	83	31	were	be	AUX
eurjchem-2303	83	32	analyzed	analyze	VERB
eurjchem-2303	83	33	[	[	X
eurjchem-2303	83	34	31	31	NUM
eurjchem-2303	83	35	]	]	PUNCT
eurjchem-2303	83	36	and	and	CCONJ
eurjchem-2303	83	37	compared	compare	VERB
eurjchem-2303	83	38	with	with	ADP
eurjchem-2303	83	39	the	the	DET
eurjchem-2303	83	40	co	co	NOUN
eurjchem-2303	83	41	-	-	NOUN
eurjchem-2303	83	42	crystal	crystal	ADJ
eurjchem-2303	83	43	structures	structure	NOUN
eurjchem-2303	83	44	of	of	ADP
eurjchem-2303	83	45	the	the	DET
eurjchem-2303	83	46	olaparib	olaparib	NOUN
eurjchem-2303	83	47	and	and	CCONJ
eurjchem-2303	83	48	talazoparib	talazoparib	NOUN
eurjchem-2303	83	49	drugs	drug	NOUN
eurjchem-2303	83	50	[	[	X
eurjchem-2303	83	51	13,14	13,14	X
eurjchem-2303	83	52	]	]	PUNCT
eurjchem-2303	83	53	using	use	VERB
eurjchem-2303	83	54	pymol	pymol	PROPN
eurjchem-2303	83	55	[	[	X
eurjchem-2303	83	56	32	32	NUM
eurjchem-2303	83	57	]	]	PUNCT
eurjchem-2303	83	58	,	,	PUNCT
eurjchem-2303	84	1	ligplot	ligplot	NOUN
eurjchem-2303	84	2	[	[	X
eurjchem-2303	84	3	33	33	NUM
eurjchem-2303	84	4	]	]	PUNCT
eurjchem-2303	84	5	and	and	CCONJ
eurjchem-2303	84	6	poseview	poseview	VERB
eurjchem-2303	85	1	[	[	X
eurjchem-2303	85	2	34,35	34,35	NOUN
eurjchem-2303	85	3	]	]	PUNCT
eurjchem-2303	85	4	.	.	PUNCT
eurjchem-2303	86	1	3	3	X
eurjchem-2303	86	2	.	.	NOUN
eurjchem-2303	86	3	results	result	NOUN
eurjchem-2303	86	4	and	and	CCONJ
eurjchem-2303	86	5	discussion	discussion	NOUN
eurjchem-2303	86	6	3.1	3.1	NUM
eurjchem-2303	86	7	.	.	PUNCT
eurjchem-2303	87	1	single	single	ADJ
eurjchem-2303	87	2	crystal	crystal	NOUN
eurjchem-2303	87	3	structure	structure	NOUN
eurjchem-2303	87	4	analysis	analysis	NOUN
eurjchem-2303	87	5	the	the	DET
eurjchem-2303	87	6	ortep	ortep	NOUN
eurjchem-2303	87	7	view	view	NOUN
eurjchem-2303	87	8	of	of	ADP
eurjchem-2303	87	9	2mba	2mba	PROPN
eurjchem-2303	87	10	is	be	AUX
eurjchem-2303	87	11	shown	show	VERB
eurjchem-2303	87	12	in	in	ADP
eurjchem-2303	87	13	figure	figure	NOUN
eurjchem-2303	87	14	1	1	NUM
eurjchem-2303	87	15	with	with	ADP
eurjchem-2303	87	16	a	a	DET
eurjchem-2303	87	17	dihedral	dihedral	ADJ
eurjchem-2303	87	18	angle	angle	NOUN
eurjchem-2303	87	19	of	of	ADP
eurjchem-2303	87	20	86.18(13	86.18(13	NUM
eurjchem-2303	87	21	)	)	PUNCT
eurjchem-2303	87	22	°	°	NOUN
eurjchem-2303	87	23	between	between	ADP
eurjchem-2303	87	24	the	the	DET
eurjchem-2303	87	25	benzene	benzene	NOUN
eurjchem-2303	87	26	ring	ring	NOUN
eurjchem-2303	87	27	and	and	CCONJ
eurjchem-2303	87	28	the	the	DET
eurjchem-2303	87	29	mean	mean	ADJ
eurjchem-2303	87	30	plane	plane	NOUN
eurjchem-2303	87	31	of	of	ADP
eurjchem-2303	87	32	the	the	DET
eurjchem-2303	87	33	carboxamide	carboxamide	NOUN
eurjchem-2303	87	34	group	group	NOUN
eurjchem-2303	87	35	c	c	NOUN
eurjchem-2303	87	36	-	-	PUNCT
eurjchem-2303	87	37	c(o)-n	c(o)-n	VERB
eurjchem-2303	87	38	.	.	PUNCT
eurjchem-2303	88	1	the	the	DET
eurjchem-2303	88	2	n1	n1	PROPN
eurjchem-2303	88	3	-	-	PUNCT
eurjchem-2303	88	4	c8	c8	PROPN
eurjchem-2303	88	5	,	,	PUNCT
eurjchem-2303	88	6	c8o2	c8o2	NOUN
eurjchem-2303	88	7	,	,	PUNCT
eurjchem-2303	88	8	and	and	CCONJ
eurjchem-2303	88	9	c8	c8	PROPN
eurjchem-2303	88	10	-	-	PUNCT
eurjchem-2303	88	11	c9	c9	NOUN
eurjchem-2303	88	12	bond	bond	NOUN
eurjchem-2303	88	13	lengths	length	NOUN
eurjchem-2303	88	14	are	be	AUX
eurjchem-2303	88	15	1.324(3	1.324(3	NUM
eurjchem-2303	88	16	)	)	PUNCT
eurjchem-2303	88	17	,	,	PUNCT
eurjchem-2303	88	18	1.231(2	1.231(2	NUM
eurjchem-2303	88	19	)	)	PUNCT
eurjchem-2303	88	20	,	,	PUNCT
eurjchem-2303	88	21	and	and	CCONJ
eurjchem-2303	88	22	1.496(3	1.496(3	NUM
eurjchem-2303	88	23	)	)	PUNCT
eurjchem-2303	88	24	å	å	NOUN
eurjchem-2303	88	25	,	,	PUNCT
eurjchem-2303	88	26	respectively	respectively	ADV
eurjchem-2303	88	27	(	(	PUNCT
eurjchem-2303	88	28	table	table	NOUN
eurjchem-2303	88	29	2	2	NUM
eurjchem-2303	88	30	)	)	PUNCT
eurjchem-2303	88	31	.	.	PUNCT
eurjchem-2303	89	1	the	the	DET
eurjchem-2303	89	2	c8	c8	PROPN
eurjchem-2303	89	3	-	-	PUNCT
eurjchem-2303	89	4	o2	o2	PROPN
eurjchem-2303	89	5	bond	bond	NOUN
eurjchem-2303	89	6	distance	distance	NOUN
eurjchem-2303	89	7	in	in	ADP
eurjchem-2303	89	8	the	the	DET
eurjchem-2303	89	9	amide	amide	NOUN
eurjchem-2303	89	10	group	group	NOUN
eurjchem-2303	89	11	shows	show	VERB
eurjchem-2303	89	12	a	a	DET
eurjchem-2303	89	13	partial	partial	ADJ
eurjchem-2303	89	14	double	double	ADJ
eurjchem-2303	89	15	-	-	PUNCT
eurjchem-2303	89	16	bond	bond	NOUN
eurjchem-2303	89	17	character	character	NOUN
eurjchem-2303	89	18	and	and	CCONJ
eurjchem-2303	89	19	is	be	AUX
eurjchem-2303	89	20	similar	similar	ADJ
eurjchem-2303	89	21	in	in	ADP
eurjchem-2303	89	22	length	length	NOUN
eurjchem-2303	89	23	to	to	ADP
eurjchem-2303	89	24	those	those	PRON
eurjchem-2303	89	25	found	find	VERB
eurjchem-2303	89	26	in	in	ADP
eurjchem-2303	89	27	the	the	DET
eurjchem-2303	89	28	crystal	crystal	NOUN
eurjchem-2303	89	29	structure	structure	NOUN
eurjchem-2303	89	30	of	of	ADP
eurjchem-2303	89	31	the	the	DET
eurjchem-2303	89	32	3acetoxy-2	3acetoxy-2	NUM
eurjchem-2303	89	33	-	-	PUNCT
eurjchem-2303	89	34	methyl	methyl	NOUN
eurjchem-2303	89	35	-	-	PUNCT
eurjchem-2303	89	36	n-(4	n-(4	NOUN
eurjchem-2303	89	37	-	-	PUNCT
eurjchem-2303	89	38	nitrophenyl	nitrophenyl	NOUN
eurjchem-2303	89	39	)	)	PUNCT
eurjchem-2303	89	40	benzamide	benzamide	NOUN
eurjchem-2303	89	41	,	,	PUNCT
eurjchem-2303	89	42	(	(	PUNCT
eurjchem-2303	89	43	1.215(2	1.215(2	NUM
eurjchem-2303	89	44	)	)	PUNCT
eurjchem-2303	89	45	å	å	PROPN
eurjchem-2303	90	1	[	[	X
eurjchem-2303	90	2	36	36	NUM
eurjchem-2303	90	3	]	]	PUNCT
eurjchem-2303	90	4	.	.	PUNCT
eurjchem-2303	91	1	the	the	DET
eurjchem-2303	91	2	benzene	benzene	NOUN
eurjchem-2303	91	3	ring	ring	NOUN
eurjchem-2303	91	4	,	,	PUNCT
eurjchem-2303	91	5	c1	c1	PROPN
eurjchem-2303	91	6	-	-	PUNCT
eurjchem-2303	91	7	c2	c2	PROPN
eurjchem-2303	91	8	-	-	PUNCT
eurjchem-2303	91	9	c3	c3	PROPN
eurjchem-2303	91	10	-	-	PUNCT
eurjchem-2303	91	11	c4	c4	NOUN
eurjchem-2303	91	12	-	-	PUNCT
eurjchem-2303	91	13	c5	c5	PROPN
eurjchem-2303	91	14	-	-	PUNCT
eurjchem-2303	91	15	c6	c6	PROPN
eurjchem-2303	91	16	,	,	PUNCT
eurjchem-2303	91	17	is	be	AUX
eurjchem-2303	91	18	planar	planar	ADJ
eurjchem-2303	91	19	with	with	ADP
eurjchem-2303	91	20	an	an	DET
eurjchem-2303	91	21	rms	rm	NOUN
eurjchem-2303	91	22	deviation	deviation	NOUN
eurjchem-2303	91	23	of	of	ADP
eurjchem-2303	91	24	-0.004(2	-0.004(2	PROPN
eurjchem-2303	91	25	)	)	PUNCT
eurjchem-2303	91	26	å	å	PROPN
eurjchem-2303	91	27	at	at	ADP
eurjchem-2303	91	28	c1	c1	PROPN
eurjchem-2303	91	29	.	.	PUNCT
eurjchem-2303	92	1	the	the	DET
eurjchem-2303	92	2	torsion	torsion	NOUN
eurjchem-2303	92	3	angles	angle	NOUN
eurjchem-2303	92	4	of	of	ADP
eurjchem-2303	92	5	c7	c7	PROPN
eurjchem-2303	92	6	-	-	PUNCT
eurjchem-2303	92	7	n1c8	n1c8	NOUN
eurjchem-2303	92	8	-	-	PUNCT
eurjchem-2303	92	9	o2	o2	ADJ
eurjchem-2303	92	10	and	and	CCONJ
eurjchem-2303	92	11	c7	c7	PROPN
eurjchem-2303	92	12	-	-	PUNCT
eurjchem-2303	92	13	n1	n1	PROPN
eurjchem-2303	92	14	-	-	PUNCT
eurjchem-2303	92	15	c8	c8	NOUN
eurjchem-2303	92	16	-	-	PUNCT
eurjchem-2303	92	17	c9	c9	NOUN
eurjchem-2303	92	18	-0.1(3	-0.1(3	NUM
eurjchem-2303	92	19	)	)	PUNCT
eurjchem-2303	92	20	and	and	CCONJ
eurjchem-2303	92	21	-179.6(2	-179.6(2	NUM
eurjchem-2303	92	22	)	)	PUNCT
eurjchem-2303	92	23	°	°	PRON
eurjchem-2303	92	24	compared	compare	VERB
eurjchem-2303	92	25	with	with	ADP
eurjchem-2303	92	26	theoretical	theoretical	ADJ
eurjchem-2303	92	27	values	value	NOUN
eurjchem-2303	92	28	of	of	ADP
eurjchem-2303	92	29	-4.15	-4.15	NUM
eurjchem-2303	92	30	and	and	CCONJ
eurjchem-2303	92	31	176.4	176.4	NUM
eurjchem-2303	92	32	°	°	NOUN
eurjchem-2303	92	33	,	,	PUNCT
eurjchem-2303	92	34	respectively	respectively	ADV
eurjchem-2303	92	35	.	.	PUNCT
eurjchem-2303	93	1	from	from	ADP
eurjchem-2303	93	2	the	the	DET
eurjchem-2303	93	3	theoretical	theoretical	ADJ
eurjchem-2303	93	4	values	value	NOUN
eurjchem-2303	93	5	,	,	PUNCT
eurjchem-2303	93	6	it	it	PRON
eurjchem-2303	93	7	was	be	AUX
eurjchem-2303	93	8	found	find	VERB
eurjchem-2303	93	9	that	that	SCONJ
eurjchem-2303	93	10	calculated	calculate	VERB
eurjchem-2303	93	11	values	value	NOUN
eurjchem-2303	93	12	of	of	ADP
eurjchem-2303	93	13	bond	bond	NOUN
eurjchem-2303	93	14	length	length	NOUN
eurjchem-2303	93	15	and	and	CCONJ
eurjchem-2303	93	16	bond	bond	NOUN
eurjchem-2303	93	17	angles	angle	VERB
eurjchem-2303	93	18	slightly	slightly	ADJ
eurjchem-2303	93	19	difference	difference	NOUN
eurjchem-2303	93	20	from	from	ADP
eurjchem-2303	93	21	the	the	DET
eurjchem-2303	93	22	experimental	experimental	ADJ
eurjchem-2303	93	23	values	value	NOUN
eurjchem-2303	93	24	,	,	PUNCT
eurjchem-2303	93	25	by	by	ADP
eurjchem-2303	93	26	the	the	DET
eurjchem-2303	93	27	dft	dft	PROPN
eurjchem-2303	93	28	-	-	PUNCT
eurjchem-2303	93	29	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	93	30	-	-	PUNCT
eurjchem-2303	93	31	311g++(d	311g++(d	NUM
eurjchem-2303	93	32	,	,	PUNCT
eurjchem-2303	93	33	p	p	NOUN
eurjchem-2303	93	34	)	)	PUNCT
eurjchem-2303	93	35	basis	basis	NOUN
eurjchem-2303	93	36	set	set	VERB
eurjchem-2303	93	37	as	as	SCONJ
eurjchem-2303	93	38	shown	show	VERB
eurjchem-2303	93	39	in	in	ADP
eurjchem-2303	93	40	table	table	NOUN
eurjchem-2303	93	41	2	2	NUM
eurjchem-2303	93	42	.	.	PUNCT
eurjchem-2303	94	1	in	in	ADP
eurjchem-2303	94	2	the	the	DET
eurjchem-2303	94	3	crystal	crystal	NOUN
eurjchem-2303	94	4	structure	structure	NOUN
eurjchem-2303	94	5	,	,	PUNCT
eurjchem-2303	94	6	neighboring	neighboring	NOUN
eurjchem-2303	94	7	molecules	molecule	NOUN
eurjchem-2303	94	8	are	be	AUX
eurjchem-2303	94	9	linked	link	VERB
eurjchem-2303	94	10	by	by	ADP
eurjchem-2303	94	11	strong	strong	ADJ
eurjchem-2303	94	12	n1	n1	PROPN
eurjchem-2303	94	13	-	-	PUNCT
eurjchem-2303	94	14	h1a···o2	h1a···o2	NOUN
eurjchem-2303	94	15	hydrogen	hydrogen	NOUN
eurjchem-2303	94	16	bonds	bond	NOUN
eurjchem-2303	94	17	(	(	PUNCT
eurjchem-2303	94	18	3/2	3/2	NUM
eurjchem-2303	94	19	-	-	PUNCT
eurjchem-2303	94	20	x	x	NOUN
eurjchem-2303	94	21	,	,	PUNCT
eurjchem-2303	94	22	-1/2+y	-1/2+y	INTJ
eurjchem-2303	94	23	,	,	PUNCT
eurjchem-2303	94	24	1/2	1/2	NUM
eurjchem-2303	94	25	-	-	PUNCT
eurjchem-2303	94	26	z	z	NOUN
eurjchem-2303	94	27	)	)	PUNCT
eurjchem-2303	94	28	,	,	PUNCT
eurjchem-2303	94	29	forming	form	VERB
eurjchem-2303	94	30	supramolecular	supramolecular	ADJ
eurjchem-2303	94	31	chains	chain	NOUN
eurjchem-2303	94	32	along	along	ADP
eurjchem-2303	94	33	the	the	DET
eurjchem-2303	94	34	b	b	NOUN
eurjchem-2303	94	35	-	-	PUNCT
eurjchem-2303	94	36	axis	axis	NOUN
eurjchem-2303	94	37	direction	direction	NOUN
eurjchem-2303	94	38	(	(	PUNCT
eurjchem-2303	94	39	figure	figure	NOUN
eurjchem-2303	94	40	2	2	NUM
eurjchem-2303	94	41	and	and	CCONJ
eurjchem-2303	94	42	table	table	NOUN
eurjchem-2303	94	43	3	3	NUM
eurjchem-2303	94	44	)	)	PUNCT
eurjchem-2303	94	45	.	.	PUNCT
eurjchem-2303	95	1	3.2	3.2	NUM
eurjchem-2303	95	2	.	.	PUNCT
eurjchem-2303	96	1	hirshfeld	hirshfeld	PROPN
eurjchem-2303	96	2	surface	surface	PROPN
eurjchem-2303	96	3	analysis	analysis	NOUN
eurjchem-2303	96	4	the	the	DET
eurjchem-2303	96	5	hirshfeld	hirshfeld	PROPN
eurjchem-2303	96	6	surface	surface	NOUN
eurjchem-2303	96	7	(	(	PUNCT
eurjchem-2303	96	8	hs	hs	NOUN
eurjchem-2303	96	9	)	)	PUNCT
eurjchem-2303	96	10	analysis	analysis	NOUN
eurjchem-2303	96	11	provides	provide	VERB
eurjchem-2303	96	12	qualitative	qualitative	ADJ
eurjchem-2303	96	13	and	and	CCONJ
eurjchem-2303	96	14	quantitative	quantitative	ADJ
eurjchem-2303	96	15	details	detail	NOUN
eurjchem-2303	96	16	about	about	ADP
eurjchem-2303	96	17	intermolecular	intermolecular	ADJ
eurjchem-2303	96	18	close	close	ADJ
eurjchem-2303	96	19	contacts	contact	NOUN
eurjchem-2303	96	20	in	in	ADP
eurjchem-2303	96	21	molecular	molecular	ADJ
eurjchem-2303	96	22	crystals	crystal	NOUN
eurjchem-2303	96	23	.	.	PUNCT
eurjchem-2303	97	1	murugan	murugan	PROPN
eurjchem-2303	97	2	et	et	PROPN
eurjchem-2303	97	3	al	al	PROPN
eurjchem-2303	97	4	.	.	PUNCT
eurjchem-2303	97	5	/	/	SYM
eurjchem-2303	97	6	european	european	PROPN
eurjchem-2303	97	7	journal	journal	PROPN
eurjchem-2303	97	8	of	of	ADP
eurjchem-2303	97	9	chemistry	chemistry	NOUN
eurjchem-2303	97	10	13	13	NUM
eurjchem-2303	97	11	(	(	PUNCT
eurjchem-2303	97	12	4	4	NUM
eurjchem-2303	97	13	)	)	PUNCT
eurjchem-2303	97	14	(	(	PUNCT
eurjchem-2303	97	15	2022	2022	NUM
eurjchem-2303	97	16	)	)	PUNCT
eurjchem-2303	97	17	440	440	NUM
eurjchem-2303	97	18	-	-	SYM
eurjchem-2303	97	19	450	450	NUM
eurjchem-2303	97	20	443	443	NUM
eurjchem-2303	97	21	2022	2022	NUM
eurjchem-2303	97	22	–	–	PUNCT
eurjchem-2303	97	23	european	european	ADJ
eurjchem-2303	97	24	journal	journal	NOUN
eurjchem-2303	97	25	of	of	ADP
eurjchem-2303	97	26	chemistry	chemistry	NOUN
eurjchem-2303	97	27	–	–	PUNCT
eurjchem-2303	97	28	cc	cc	NOUN
eurjchem-2303	97	29	by	by	ADP
eurjchem-2303	97	30	nc	nc	PROPN
eurjchem-2303	97	31	–	–	PUNCT
eurjchem-2303	97	32	doi	doi	PROPN
eurjchem-2303	97	33	:	:	PUNCT
eurjchem-2303	97	34	10.5155	10.5155	NUM
eurjchem-2303	97	35	/	/	SYM
eurjchem-2303	97	36	eurjchem.13.4.440	eurjchem.13.4.440	PRON
eurjchem-2303	97	37	-	-	SYM
eurjchem-2303	97	38	450.2303	450.2303	NUM
eurjchem-2303	97	39	table	table	NOUN
eurjchem-2303	97	40	4	4	NUM
eurjchem-2303	97	41	.	.	PUNCT
eurjchem-2303	98	1	energy	energy	NOUN
eurjchem-2303	98	2	values	value	NOUN
eurjchem-2303	98	3	of	of	ADP
eurjchem-2303	98	4	2mba	2mba	NUM
eurjchem-2303	98	5	.	.	PUNCT
eurjchem-2303	99	1	color	color	NOUN
eurjchem-2303	99	2	n	n	NOUN
eurjchem-2303	99	3	symop	symop	VERB
eurjchem-2303	99	4	r	r	NOUN
eurjchem-2303	99	5	electron	electron	NOUN
eurjchem-2303	99	6	density	density	NOUN
eurjchem-2303	99	7	eele	eele	PROPN
eurjchem-2303	99	8	epol	epol	PROPN
eurjchem-2303	99	9	edis	edis	PROPN
eurjchem-2303	99	10	erep	erep	PROPN
eurjchem-2303	99	11	etot	etot	VERB
eurjchem-2303	99	12	2	2	NUM
eurjchem-2303	99	13	x+1/2	x+1/2	PROPN
eurjchem-2303	99	14	,	,	PUNCT
eurjchem-2303	99	15	-y+1/2	-y+1/2	PROPN
eurjchem-2303	99	16	,	,	PUNCT
eurjchem-2303	99	17	z+1/2	z+1/2	PROPN
eurjchem-2303	99	18	7.49	7.49	NUM
eurjchem-2303	99	19	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	99	20	-	-	NOUN
eurjchem-2303	99	21	31g(d	31g(d	PROPN
eurjchem-2303	99	22	,	,	PUNCT
eurjchem-2303	99	23	p	p	NOUN
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eurjchem-2303	99	25	-4.2	-4.2	NOUN
eurjchem-2303	99	26	-1.9	-1.9	PROPN
eurjchem-2303	99	27	-11.0	-11.0	PROPN
eurjchem-2303	99	28	7.7	7.7	NUM
eurjchem-2303	99	29	-10.6	-10.6	NOUN
eurjchem-2303	99	30	2	2	NUM
eurjchem-2303	99	31	x	x	NOUN
eurjchem-2303	99	32	,	,	PUNCT
eurjchem-2303	99	33	y	y	PROPN
eurjchem-2303	99	34	,	,	PUNCT
eurjchem-2303	99	35	z	z	PROPN
eurjchem-2303	99	36	9.13	9.13	NUM
eurjchem-2303	99	37	b3lyp/6	b3lyp/6	PROPN
eurjchem-2303	99	38	-	-	NOUN
eurjchem-2303	99	39	31g(d	31g(d	PROPN
eurjchem-2303	99	40	,	,	PUNCT
eurjchem-2303	99	41	p	p	NOUN
eurjchem-2303	99	42	)	)	PUNCT
eurjchem-2303	99	43	-6.3	-6.3	NOUN
eurjchem-2303	99	44	-2.1	-2.1	NOUN
eurjchem-2303	99	45	-11.3	-11.3	PROPN
eurjchem-2303	99	46	5.5	5.5	NUM
eurjchem-2303	99	47	-14.7	-14.7	PROPN
eurjchem-2303	99	48	2	2	NUM
eurjchem-2303	99	49	-x+1/2	-x+1/2	PROPN
eurjchem-2303	99	50	,	,	PUNCT
eurjchem-2303	99	51	y+1/2	y+1/2	PROPN
eurjchem-2303	99	52	,	,	PUNCT
eurjchem-2303	99	53	-z+1/2	-z+1/2	PROPN
eurjchem-2303	99	54	6.64	6.64	NUM
eurjchem-2303	99	55	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	99	56	-	-	NOUN
eurjchem-2303	99	57	31g(d	31g(d	PROPN
eurjchem-2303	99	58	,	,	PUNCT
eurjchem-2303	99	59	p	p	NOUN
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eurjchem-2303	99	61	-1.0	-1.0	PROPN
eurjchem-2303	99	62	-1.1	-1.1	PROPN
eurjchem-2303	99	63	-17.8	-17.8	NUM
eurjchem-2303	99	64	5.8	5.8	NUM
eurjchem-2303	99	65	-13.7	-13.7	NUM
eurjchem-2303	99	66	2	2	NUM
eurjchem-2303	99	67	x+1/2	x+1/2	ADJ
eurjchem-2303	99	68	,	,	PUNCT
eurjchem-2303	99	69	-y+1/2	-y+1/2	PROPN
eurjchem-2303	99	70	,	,	PUNCT
eurjchem-2303	99	71	z+1/2	z+1/2	PROPN
eurjchem-2303	99	72	8.19	8.19	NUM
eurjchem-2303	99	73	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	99	74	-	-	NOUN
eurjchem-2303	99	75	31g(d	31g(d	PROPN
eurjchem-2303	99	76	,	,	PUNCT
eurjchem-2303	99	77	p	p	NOUN
eurjchem-2303	99	78	)	)	PUNCT
eurjchem-2303	99	79	-4.3	-4.3	PROPN
eurjchem-2303	99	80	-1.7	-1.7	PROPN
eurjchem-2303	99	81	-12.7	-12.7	NUM
eurjchem-2303	99	82	5.6	5.6	NUM
eurjchem-2303	99	83	-13.4	-13.4	NOUN
eurjchem-2303	99	84	1	1	NUM
eurjchem-2303	99	85	-x	-x	NOUN
eurjchem-2303	99	86	,	,	PUNCT
eurjchem-2303	99	87	-y	-y	PROPN
eurjchem-2303	99	88	,	,	PUNCT
eurjchem-2303	99	89	-z	-z	PROPN
eurjchem-2303	99	90	6.50	6.50	NUM
eurjchem-2303	99	91	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	99	92	-	-	NOUN
eurjchem-2303	99	93	31g(d	31g(d	NOUN
eurjchem-2303	99	94	,	,	PUNCT
eurjchem-2303	99	95	p	p	NOUN
eurjchem-2303	99	96	)	)	PUNCT
eurjchem-2303	99	97	-0.7	-0.7	PROPN
eurjchem-2303	99	98	-0.9	-0.9	NOUN
eurjchem-2303	99	99	-18.7	-18.7	NUM
eurjchem-2303	99	100	7.1	7.1	NUM
eurjchem-2303	99	101	-13.3	-13.3	NUM
eurjchem-2303	99	102	1	1	NUM
eurjchem-2303	99	103	-x	-x	NOUN
eurjchem-2303	99	104	,	,	PUNCT
eurjchem-2303	99	105	-y	-y	PROPN
eurjchem-2303	99	106	,	,	PUNCT
eurjchem-2303	99	107	-z	-z	PROPN
eurjchem-2303	99	108	6.37	6.37	NUM
eurjchem-2303	99	109	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	99	110	-	-	NOUN
eurjchem-2303	99	111	31g(d	31g(d	PROPN
eurjchem-2303	99	112	,	,	PUNCT
eurjchem-2303	99	113	p	p	NOUN
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eurjchem-2303	99	115	-0.3	-0.3	PROPN
eurjchem-2303	99	116	-1.1	-1.1	NOUN
eurjchem-2303	99	117	-19.3	-19.3	NUM
eurjchem-2303	99	118	9.1	9.1	NUM
eurjchem-2303	99	119	-12.3	-12.3	SYM
eurjchem-2303	99	120	2	2	NUM
eurjchem-2303	99	121	-x+1/2	-x+1/2	PROPN
eurjchem-2303	99	122	,	,	PUNCT
eurjchem-2303	99	123	y+1/2	y+1/2	ADJ
eurjchem-2303	99	124	,	,	PUNCT
eurjchem-2303	99	125	-z+1/2	-z+1/2	PROPN
eurjchem-2303	99	126	6.42	6.42	NUM
eurjchem-2303	99	127	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	99	128	-	-	NOUN
eurjchem-2303	99	129	31g(d	31g(d	PROPN
eurjchem-2303	99	130	,	,	PUNCT
eurjchem-2303	99	131	p	p	NOUN
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eurjchem-2303	99	133	-43.3	-43.3	PRON
eurjchem-2303	100	1	-11.4	-11.4	NOUN
eurjchem-2303	100	2	-24.2	-24.2	NOUN
eurjchem-2303	100	3	49.7	49.7	NUM
eurjchem-2303	100	4	-44.6	-44.6	NOUN
eurjchem-2303	100	5	1	1	NUM
eurjchem-2303	100	6	-x	-x	NOUN
eurjchem-2303	100	7	,	,	PUNCT
eurjchem-2303	100	8	-y	-y	PROPN
eurjchem-2303	100	9	,	,	PUNCT
eurjchem-2303	100	10	-z	-z	PROPN
eurjchem-2303	100	11	11.56	11.56	NUM
eurjchem-2303	100	12	b3lyp/6	b3lyp/6	PROPN
eurjchem-2303	100	13	-	-	NOUN
eurjchem-2303	100	14	31g(d	31g(d	PROPN
eurjchem-2303	100	15	,	,	PUNCT
eurjchem-2303	100	16	p	p	NOUN
eurjchem-2303	100	17	)	)	PUNCT
eurjchem-2303	100	18	-1.1	-1.1	PROPN
eurjchem-2303	100	19	-0.1	-0.1	PROPN
eurjchem-2303	100	20	-1.8	-1.8	PROPN
eurjchem-2303	100	21	0.2	0.2	NUM
eurjchem-2303	100	22	-2.6	-2.6	NOUN
eurjchem-2303	100	23	(	(	PUNCT
eurjchem-2303	100	24	a	a	NOUN
eurjchem-2303	100	25	)	)	PUNCT
eurjchem-2303	100	26	(	(	PUNCT
eurjchem-2303	100	27	b	b	X
eurjchem-2303	100	28	)	)	PUNCT
eurjchem-2303	100	29	(	(	PUNCT
eurjchem-2303	100	30	c	c	X
eurjchem-2303	100	31	)	)	PUNCT
eurjchem-2303	100	32	(	(	PUNCT
eurjchem-2303	100	33	d	d	X
eurjchem-2303	100	34	)	)	PUNCT
eurjchem-2303	100	35	(	(	PUNCT
eurjchem-2303	100	36	e	e	NOUN
eurjchem-2303	100	37	)	)	PUNCT
eurjchem-2303	100	38	(	(	PUNCT
eurjchem-2303	100	39	f	f	X
eurjchem-2303	100	40	)	)	PUNCT
eurjchem-2303	100	41	figure	figure	NOUN
eurjchem-2303	100	42	3	3	NUM
eurjchem-2303	100	43	.	.	PUNCT
eurjchem-2303	101	1	(	(	PUNCT
eurjchem-2303	101	2	a	a	X
eurjchem-2303	101	3	)	)	PUNCT
eurjchem-2303	101	4	hirshfeld	hirshfeld	PROPN
eurjchem-2303	101	5	surface	surface	NOUN
eurjchem-2303	101	6	plots	plot	NOUN
eurjchem-2303	101	7	over	over	ADP
eurjchem-2303	101	8	de	de	PROPN
eurjchem-2303	101	9	,	,	PUNCT
eurjchem-2303	101	10	(	(	PUNCT
eurjchem-2303	101	11	b	b	X
eurjchem-2303	101	12	)	)	PUNCT
eurjchem-2303	101	13	di	di	NOUN
eurjchem-2303	101	14	,	,	PUNCT
eurjchem-2303	101	15	(	(	PUNCT
eurjchem-2303	101	16	c	c	NOUN
eurjchem-2303	101	17	)	)	PUNCT
eurjchem-2303	101	18	dnorm	dnorm	NOUN
eurjchem-2303	101	19	,	,	PUNCT
eurjchem-2303	101	20	(	(	PUNCT
eurjchem-2303	101	21	c	c	NOUN
eurjchem-2303	101	22	)	)	PUNCT
eurjchem-2303	101	23	shape	shape	NOUN
eurjchem-2303	101	24	index	index	NOUN
eurjchem-2303	101	25	,	,	PUNCT
eurjchem-2303	101	26	(	(	PUNCT
eurjchem-2303	101	27	e	e	NOUN
eurjchem-2303	101	28	)	)	PUNCT
eurjchem-2303	101	29	curvedness	curvedness	ADJ
eurjchem-2303	102	1	and	and	CCONJ
eurjchem-2303	102	2	(	(	PUNCT
eurjchem-2303	102	3	f	f	X
eurjchem-2303	102	4	)	)	PUNCT
eurjchem-2303	102	5	fragment	fragment	ADJ
eurjchem-2303	102	6	patch	patch	NOUN
eurjchem-2303	102	7	.	.	PUNCT
eurjchem-2303	103	1	the	the	DET
eurjchem-2303	103	2	distances	distance	NOUN
eurjchem-2303	103	3	can	can	AUX
eurjchem-2303	103	4	be	be	AUX
eurjchem-2303	103	5	defined	define	VERB
eurjchem-2303	103	6	as	as	ADP
eurjchem-2303	103	7	de	de	NOUN
eurjchem-2303	103	8	(	(	PUNCT
eurjchem-2303	103	9	distance	distance	NOUN
eurjchem-2303	103	10	from	from	ADP
eurjchem-2303	103	11	the	the	DET
eurjchem-2303	103	12	nearest	near	ADJ
eurjchem-2303	103	13	nucleus	nucleus	NOUN
eurjchem-2303	103	14	inside	inside	ADV
eurjchem-2303	103	15	to	to	ADP
eurjchem-2303	103	16	the	the	DET
eurjchem-2303	103	17	surface	surface	NOUN
eurjchem-2303	103	18	)	)	PUNCT
eurjchem-2303	103	19	and	and	CCONJ
eurjchem-2303	103	20	di	di	INTJ
eurjchem-2303	103	21	(	(	PUNCT
eurjchem-2303	103	22	distance	distance	NOUN
eurjchem-2303	103	23	from	from	ADP
eurjchem-2303	103	24	the	the	DET
eurjchem-2303	103	25	nearest	near	ADJ
eurjchem-2303	103	26	nucleus	nucleus	NOUN
eurjchem-2303	103	27	outside	outside	ADV
eurjchem-2303	103	28	to	to	ADP
eurjchem-2303	103	29	the	the	DET
eurjchem-2303	103	30	surface	surface	NOUN
eurjchem-2303	103	31	)	)	PUNCT
eurjchem-2303	103	32	as	as	SCONJ
eurjchem-2303	103	33	shown	show	VERB
eurjchem-2303	103	34	in	in	ADP
eurjchem-2303	103	35	figures	figure	NOUN
eurjchem-2303	103	36	3a	3a	NUM
eurjchem-2303	103	37	and	and	CCONJ
eurjchem-2303	103	38	3b	3b	NUM
eurjchem-2303	103	39	.	.	PUNCT
eurjchem-2303	104	1	the	the	DET
eurjchem-2303	104	2	dnorm	dnorm	NOUN
eurjchem-2303	104	3	surface	surface	NOUN
eurjchem-2303	104	4	shown	show	VERB
eurjchem-2303	104	5	in	in	ADP
eurjchem-2303	104	6	figure	figure	NOUN
eurjchem-2303	104	7	3c	3c	NUM
eurjchem-2303	104	8	(	(	PUNCT
eurjchem-2303	104	9	range	range	NOUN
eurjchem-2303	104	10	of	of	ADP
eurjchem-2303	104	11	-0.5942	-0.5942	NOUN
eurjchem-2303	104	12	to	to	ADP
eurjchem-2303	104	13	1.5253	1.5253	NUM
eurjchem-2303	104	14	a.u	a.u	PROPN
eurjchem-2303	104	15	.	.	PUNCT
eurjchem-2303	104	16	)	)	PUNCT
eurjchem-2303	104	17	represents	represent	VERB
eurjchem-2303	104	18	a	a	DET
eurjchem-2303	104	19	red	red	ADJ
eurjchem-2303	104	20	spot	spot	NOUN
eurjchem-2303	104	21	of	of	ADP
eurjchem-2303	104	22	intensity	intensity	NOUN
eurjchem-2303	104	23	and	and	CCONJ
eurjchem-2303	104	24	shows	show	VERB
eurjchem-2303	104	25	the	the	DET
eurjchem-2303	104	26	presence	presence	NOUN
eurjchem-2303	104	27	of	of	ADP
eurjchem-2303	104	28	dominant	dominant	ADJ
eurjchem-2303	104	29	interactions	interaction	NOUN
eurjchem-2303	104	30	.	.	PUNCT
eurjchem-2303	105	1	figure	figure	NOUN
eurjchem-2303	105	2	3d	3d	PROPN
eurjchem-2303	105	3	shows	show	VERB
eurjchem-2303	105	4	the	the	DET
eurjchem-2303	105	5	shape	shape	NOUN
eurjchem-2303	105	6	index	index	NOUN
eurjchem-2303	105	7	map	map	NOUN
eurjchem-2303	105	8	produced	produce	VERB
eurjchem-2303	105	9	within	within	ADP
eurjchem-2303	105	10	the	the	DET
eurjchem-2303	105	11	range	range	NOUN
eurjchem-2303	105	12	-1	-1	ADP
eurjchem-2303	105	13	to	to	ADP
eurjchem-2303	105	14	1	1	NUM
eurjchem-2303	105	15	å	å	NOUN
eurjchem-2303	105	16	.	.	PUNCT
eurjchem-2303	106	1	the	the	DET
eurjchem-2303	106	2	convex	convex	ADJ
eurjchem-2303	106	3	blue	blue	ADJ
eurjchem-2303	106	4	portions	portion	NOUN
eurjchem-2303	106	5	indicate	indicate	VERB
eurjchem-2303	106	6	hydrogen	hydrogen	NOUN
eurjchem-2303	106	7	donor	donor	NOUN
eurjchem-2303	106	8	groups	group	NOUN
eurjchem-2303	106	9	,	,	PUNCT
eurjchem-2303	106	10	while	while	SCONJ
eurjchem-2303	106	11	the	the	DET
eurjchem-2303	106	12	concave	concave	ADJ
eurjchem-2303	106	13	red	red	ADJ
eurjchem-2303	106	14	parts	part	NOUN
eurjchem-2303	106	15	represent	represent	VERB
eurjchem-2303	106	16	hydrogen	hydrogen	NOUN
eurjchem-2303	106	17	acceptor	acceptor	NOUN
eurjchem-2303	106	18	groups	group	NOUN
eurjchem-2303	106	19	.	.	PUNCT
eurjchem-2303	107	1	the	the	DET
eurjchem-2303	107	2	nonexistence	nonexistence	NOUN
eurjchem-2303	107	3	of	of	ADP
eurjchem-2303	107	4	contiguous	contiguous	ADJ
eurjchem-2303	107	5	red	red	ADJ
eurjchem-2303	107	6	and	and	CCONJ
eurjchem-2303	107	7	blue	blue	ADJ
eurjchem-2303	107	8	triangles	triangle	NOUN
eurjchem-2303	107	9	on	on	ADP
eurjchem-2303	107	10	the	the	DET
eurjchem-2303	107	11	shape	shape	NOUN
eurjchem-2303	107	12	-	-	PUNCT
eurjchem-2303	107	13	index	index	NOUN
eurjchem-2303	107	14	plot	plot	NOUN
eurjchem-2303	107	15	indicates	indicate	VERB
eurjchem-2303	107	16	the	the	DET
eurjchem-2303	107	17	absence	absence	NOUN
eurjchem-2303	107	18	of	of	ADP
eurjchem-2303	107	19	π	π	PROPN
eurjchem-2303	107	20	-	-	PUNCT
eurjchem-2303	107	21	π	π	ADJ
eurjchem-2303	107	22	interactions	interaction	NOUN
eurjchem-2303	107	23	.	.	PUNCT
eurjchem-2303	108	1	the	the	DET
eurjchem-2303	108	2	curvedness	curvedness	ADJ
eurjchem-2303	108	3	map	map	NOUN
eurjchem-2303	108	4	,	,	PUNCT
eurjchem-2303	108	5	generated	generate	VERB
eurjchem-2303	108	6	in	in	ADP
eurjchem-2303	108	7	the	the	DET
eurjchem-2303	108	8	range	range	NOUN
eurjchem-2303	108	9	-4.0	-4.0	PROPN
eurjchem-2303	108	10	to	to	ADP
eurjchem-2303	108	11	4.0	4.0	NUM
eurjchem-2303	108	12	å	å	NOUN
eurjchem-2303	108	13	,	,	PUNCT
eurjchem-2303	108	14	as	as	SCONJ
eurjchem-2303	108	15	shown	show	VERB
eurjchem-2303	108	16	in	in	ADP
eurjchem-2303	108	17	figure	figure	NOUN
eurjchem-2303	108	18	3e	3e	NOUN
eurjchem-2303	108	19	,	,	PUNCT
eurjchem-2303	108	20	depicts	depict	VERB
eurjchem-2303	108	21	enormous	enormous	ADJ
eurjchem-2303	108	22	areas	area	NOUN
eurjchem-2303	108	23	of	of	ADP
eurjchem-2303	108	24	green	green	ADJ
eurjchem-2303	108	25	with	with	ADP
eurjchem-2303	108	26	no	no	DET
eurjchem-2303	108	27	flat	flat	ADJ
eurjchem-2303	108	28	(	(	PUNCT
eurjchem-2303	108	29	i.e.	i.e.	X
eurjchem-2303	108	30	,	,	PUNCT
eurjchem-2303	108	31	planar	planar	ADJ
eurjchem-2303	108	32	)	)	PUNCT
eurjchem-2303	108	33	surface	surface	NOUN
eurjchem-2303	108	34	area	area	NOUN
eurjchem-2303	108	35	,	,	PUNCT
eurjchem-2303	108	36	while	while	SCONJ
eurjchem-2303	108	37	the	the	DET
eurjchem-2303	108	38	blue	blue	ADJ
eurjchem-2303	108	39	patches	patch	NOUN
eurjchem-2303	108	40	show	show	VERB
eurjchem-2303	108	41	areas	area	NOUN
eurjchem-2303	108	42	of	of	ADP
eurjchem-2303	108	43	curvature	curvature	NOUN
eurjchem-2303	108	44	.	.	PUNCT
eurjchem-2303	109	1	the	the	DET
eurjchem-2303	109	2	fragment	fragment	ADJ
eurjchem-2303	109	3	patch	patch	NOUN
eurjchem-2303	109	4	plot	plot	NOUN
eurjchem-2303	109	5	ranging	range	VERB
eurjchem-2303	109	6	from	from	ADP
eurjchem-2303	109	7	0	0	NUM
eurjchem-2303	109	8	to	to	ADP
eurjchem-2303	109	9	13.0000	13.0000	NUM
eurjchem-2303	109	10	a.u	a.u	PROPN
eurjchem-2303	109	11	.	.	PROPN
eurjchem-2303	109	12	provides	provide	VERB
eurjchem-2303	109	13	the	the	DET
eurjchem-2303	109	14	neighbor	neighbor	NOUN
eurjchem-2303	109	15	coordination	coordination	NOUN
eurjchem-2303	109	16	environment	environment	NOUN
eurjchem-2303	109	17	based	base	VERB
eurjchem-2303	109	18	on	on	ADP
eurjchem-2303	109	19	the	the	DET
eurjchem-2303	109	20	color	color	NOUN
eurjchem-2303	109	21	of	of	ADP
eurjchem-2303	109	22	the	the	DET
eurjchem-2303	109	23	patch	patch	NOUN
eurjchem-2303	109	24	shown	show	VERB
eurjchem-2303	109	25	in	in	ADP
eurjchem-2303	109	26	figure	figure	NOUN
eurjchem-2303	109	27	3f	3f	PROPN
eurjchem-2303	109	28	.	.	PUNCT
eurjchem-2303	110	1	the	the	DET
eurjchem-2303	110	2	overall	overall	ADJ
eurjchem-2303	110	3	two	two	NUM
eurjchem-2303	110	4	-	-	PUNCT
eurjchem-2303	110	5	dimensional	dimensional	ADJ
eurjchem-2303	110	6	fingerprint	fingerprint	NOUN
eurjchem-2303	110	7	(	(	PUNCT
eurjchem-2303	110	8	fps	fps	PROPN
eurjchem-2303	110	9	)	)	PUNCT
eurjchem-2303	110	10	with	with	ADP
eurjchem-2303	110	11	the	the	DET
eurjchem-2303	110	12	largest	large	ADJ
eurjchem-2303	110	13	contacts	contact	NOUN
eurjchem-2303	110	14	of	of	ADP
eurjchem-2303	110	15	h···h	h···h	NOUN
eurjchem-2303	110	16	interaction	interaction	NOUN
eurjchem-2303	110	17	contributes	contribute	VERB
eurjchem-2303	110	18	61.6	61.6	NUM
eurjchem-2303	110	19	%	%	NOUN
eurjchem-2303	110	20	to	to	ADP
eurjchem-2303	110	21	the	the	DET
eurjchem-2303	110	22	surface	surface	NOUN
eurjchem-2303	110	23	,	,	PUNCT
eurjchem-2303	110	24	followed	follow	VERB
eurjchem-2303	110	25	by	by	ADP
eurjchem-2303	110	26	c···h	c···h	PROPN
eurjchem-2303	110	27	/	/	SYM
eurjchem-2303	110	28	h···c	h···c	PROPN
eurjchem-2303	110	29	contacts	contact	NOUN
eurjchem-2303	110	30	at	at	ADP
eurjchem-2303	110	31	18.9	18.9	NUM
eurjchem-2303	110	32	%	%	NOUN
eurjchem-2303	110	33	which	which	PRON
eurjchem-2303	110	34	are	be	AUX
eurjchem-2303	110	35	important	important	ADJ
eurjchem-2303	110	36	contributors	contributor	NOUN
eurjchem-2303	110	37	to	to	ADP
eurjchem-2303	110	38	structural	structural	ADJ
eurjchem-2303	110	39	stability	stability	NOUN
eurjchem-2303	110	40	via	via	ADP
eurjchem-2303	110	41	hydrogen	hydrogen	NOUN
eurjchem-2303	110	42	bonding	bonding	NOUN
eurjchem-2303	110	43	,	,	PUNCT
eurjchem-2303	110	44	o···h	o···h	PROPN
eurjchem-2303	110	45	/	/	SYM
eurjchem-2303	110	46	h···o	h···o	PROPN
eurjchem-2303	110	47	contacts	contact	NOUN
eurjchem-2303	110	48	at	at	ADP
eurjchem-2303	110	49	18.1	18.1	NUM
eurjchem-2303	110	50	%	%	NOUN
eurjchem-2303	110	51	,	,	PUNCT
eurjchem-2303	110	52	and	and	CCONJ
eurjchem-2303	110	53	the	the	DET
eurjchem-2303	110	54	shortest	short	ADJ
eurjchem-2303	110	55	contacts	contact	NOUN
eurjchem-2303	110	56	of	of	ADP
eurjchem-2303	110	57	n···h	n···h	PROPN
eurjchem-2303	110	58	/	/	SYM
eurjchem-2303	110	59	h···n	h···n	NOUN
eurjchem-2303	110	60	interaction	interaction	NOUN
eurjchem-2303	110	61	at	at	ADP
eurjchem-2303	110	62	1.4	1.4	NUM
eurjchem-2303	110	63	%	%	NOUN
eurjchem-2303	110	64	shown	show	VERB
eurjchem-2303	110	65	in	in	ADP
eurjchem-2303	110	66	figure	figure	NOUN
eurjchem-2303	110	67	4	4	NUM
eurjchem-2303	110	68	.	.	PUNCT
eurjchem-2303	111	1	the	the	DET
eurjchem-2303	111	2	total	total	ADJ
eurjchem-2303	111	3	interaction	interaction	NOUN
eurjchem-2303	111	4	energy	energy	NOUN
eurjchem-2303	111	5	is	be	AUX
eurjchem-2303	111	6	obtained	obtain	VERB
eurjchem-2303	111	7	by	by	ADP
eurjchem-2303	111	8	the	the	DET
eurjchem-2303	111	9	combination	combination	NOUN
eurjchem-2303	111	10	of	of	ADP
eurjchem-2303	111	11	the	the	DET
eurjchem-2303	111	12	electrostatic	electrostatic	ADJ
eurjchem-2303	111	13	energy	energy	NOUN
eurjchem-2303	111	14	eele	eele	NOUN
eurjchem-2303	111	15	,	,	PUNCT
eurjchem-2303	111	16	the	the	DET
eurjchem-2303	111	17	exchange	exchange	NOUN
eurjchem-2303	111	18	repulsion	repulsion	NOUN
eurjchem-2303	111	19	energy	energy	NOUN
eurjchem-2303	111	20	erep	erep	NOUN
eurjchem-2303	111	21	,	,	PUNCT
eurjchem-2303	111	22	the	the	DET
eurjchem-2303	111	23	polarization	polarization	NOUN
eurjchem-2303	111	24	energy	energy	NOUN
eurjchem-2303	111	25	epol	epol	NOUN
eurjchem-2303	111	26	,	,	PUNCT
eurjchem-2303	111	27	and	and	CCONJ
eurjchem-2303	111	28	the	the	DET
eurjchem-2303	111	29	dispersion	dispersion	NOUN
eurjchem-2303	111	30	energy	energy	NOUN
eurjchem-2303	111	31	edis	edis	PROPN
eurjchem-2303	111	32	were	be	AUX
eurjchem-2303	111	33	performed	perform	VERB
eurjchem-2303	111	34	by	by	ADP
eurjchem-2303	111	35	the	the	DET
eurjchem-2303	111	36	ce	ce	PROPN
eurjchem-2303	111	37	-	-	PUNCT
eurjchem-2303	111	38	b3lyp/6	b3lyp/6	NOUN
eurjchem-2303	111	39	-	-	NOUN
eurjchem-2303	111	40	31g(d	31g(d	PROPN
eurjchem-2303	111	41	,	,	PUNCT
eurjchem-2303	111	42	p	p	NOUN
eurjchem-2303	111	43	)	)	PUNCT
eurjchem-2303	111	44	method	method	NOUN
eurjchem-2303	111	45	.	.	PUNCT
eurjchem-2303	112	1	in	in	ADP
eurjchem-2303	112	2	table	table	NOUN
eurjchem-2303	112	3	4	4	NUM
eurjchem-2303	112	4	,	,	PUNCT
eurjchem-2303	112	5	the	the	DET
eurjchem-2303	112	6	highest	high	ADJ
eurjchem-2303	112	7	interaction	interaction	NOUN
eurjchem-2303	112	8	energy	energy	NOUN
eurjchem-2303	112	9	etot	etot	NOUN
eurjchem-2303	112	10	=	=	PUNCT
eurjchem-2303	112	11	-44.6	-44.6	PUNCT
eurjchem-2303	112	12	kj	kj	PROPN
eurjchem-2303	112	13	/	/	SYM
eurjchem-2303	112	14	mol	mol	PROPN
eurjchem-2303	112	15	(	(	PUNCT
eurjchem-2303	112	16	shown	show	VERB
eurjchem-2303	112	17	by	by	ADP
eurjchem-2303	112	18	purple	purple	ADJ
eurjchem-2303	112	19	color	color	NOUN
eurjchem-2303	112	20	)	)	PUNCT
eurjchem-2303	112	21	from	from	ADP
eurjchem-2303	112	22	the	the	DET
eurjchem-2303	112	23	centroid	centroid	NOUN
eurjchem-2303	112	24	of	of	ADP
eurjchem-2303	112	25	the	the	DET
eurjchem-2303	112	26	selected	select	VERB
eurjchem-2303	112	27	2mba	2mba	NUM
eurjchem-2303	112	28	associated	associate	VERB
eurjchem-2303	112	29	with	with	ADP
eurjchem-2303	112	30	symmetry	symmetry	NOUN
eurjchem-2303	112	31	operation	operation	NOUN
eurjchem-2303	112	32	(	(	PUNCT
eurjchem-2303	112	33	-x+1/2	-x+1/2	PROPN
eurjchem-2303	112	34	,	,	PUNCT
eurjchem-2303	112	35	y+1/2	y+1/2	ADJ
eurjchem-2303	112	36	,	,	PUNCT
eurjchem-2303	112	37	-z+1/2	-z+1/2	NOUN
eurjchem-2303	112	38	)	)	PUNCT
eurjchem-2303	112	39	and	and	CCONJ
eurjchem-2303	112	40	the	the	DET
eurjchem-2303	112	41	molecular	molecular	ADJ
eurjchem-2303	112	42	distance	distance	NOUN
eurjchem-2303	112	43	r	r	NOUN
eurjchem-2303	112	44	=	=	PUNCT
eurjchem-2303	112	45	6.42	6.42	NUM
eurjchem-2303	112	46	å	å	NOUN
eurjchem-2303	112	47	.	.	PUNCT
eurjchem-2303	113	1	whereas	whereas	SCONJ
eurjchem-2303	113	2	the	the	DET
eurjchem-2303	113	3	lowest	low	ADJ
eurjchem-2303	113	4	interaction	interaction	NOUN
eurjchem-2303	113	5	energy	energy	NOUN
eurjchem-2303	113	6	etot	etot	NOUN
eurjchem-2303	113	7	=	=	SYM
eurjchem-2303	113	8	-2.6	-2.6	PROPN
eurjchem-2303	113	9	kj	kj	PROPN
eurjchem-2303	113	10	/	/	SYM
eurjchem-2303	113	11	mol	mol	PROPN
eurjchem-2303	113	12	(	(	PUNCT
eurjchem-2303	113	13	shown	show	VERB
eurjchem-2303	113	14	by	by	ADP
eurjchem-2303	113	15	pink	pink	ADJ
eurjchem-2303	113	16	color	color	NOUN
eurjchem-2303	113	17	)	)	PUNCT
eurjchem-2303	113	18	with	with	ADP
eurjchem-2303	113	19	the	the	DET
eurjchem-2303	113	20	symmetry	symmetry	NOUN
eurjchem-2303	113	21	code	code	PROPN
eurjchem-2303	113	22	(	(	PUNCT
eurjchem-2303	113	23	-x	-x	PROPN
eurjchem-2303	113	24	,	,	PUNCT
eurjchem-2303	113	25	-y	-y	PROPN
eurjchem-2303	113	26	,	,	PUNCT
eurjchem-2303	113	27	-z	-z	PUNCT
eurjchem-2303	113	28	)	)	PUNCT
eurjchem-2303	113	29	and	and	CCONJ
eurjchem-2303	113	30	the	the	DET
eurjchem-2303	113	31	molecular	molecular	ADJ
eurjchem-2303	113	32	distance	distance	NOUN
eurjchem-2303	113	33	r	r	NOUN
eurjchem-2303	113	34	=	=	SYM
eurjchem-2303	113	35	11.56	11.56	NUM
eurjchem-2303	113	36	å	å	X
eurjchem-2303	113	37	(	(	PUNCT
eurjchem-2303	113	38	figure	figure	NOUN
eurjchem-2303	113	39	5	5	NUM
eurjchem-2303	113	40	)	)	PUNCT
eurjchem-2303	114	1	[	[	X
eurjchem-2303	114	2	37	37	NUM
eurjchem-2303	114	3	]	]	PUNCT
eurjchem-2303	114	4	.	.	PUNCT
eurjchem-2303	115	1	the	the	DET
eurjchem-2303	115	2	etot	etot	NOUN
eurjchem-2303	115	3	for	for	ADP
eurjchem-2303	115	4	the	the	DET
eurjchem-2303	115	5	intermolecular	intermolecular	ADJ
eurjchem-2303	115	6	interaction	interaction	NOUN
eurjchem-2303	115	7	n1	n1	NOUN
eurjchem-2303	115	8	-	-	PUNCT
eurjchem-2303	115	9	h1a···o2	h1a···o2	PROPN
eurjchem-2303	115	10	is	be	AUX
eurjchem-2303	115	11	169.1	169.1	NUM
eurjchem-2303	115	12	°	°	NOUN
eurjchem-2303	115	13	(	(	PUNCT
eurjchem-2303	115	14	table	table	NOUN
eurjchem-2303	115	15	3	3	NUM
eurjchem-2303	115	16	)	)	PUNCT
eurjchem-2303	115	17	.	.	PUNCT
eurjchem-2303	116	1	3.3	3.3	NUM
eurjchem-2303	116	2	.	.	PUNCT
eurjchem-2303	117	1	dft	dft	PROPN
eurjchem-2303	117	2	studies	study	NOUN
eurjchem-2303	117	3	the	the	DET
eurjchem-2303	117	4	quantum	quantum	ADJ
eurjchem-2303	117	5	chemical	chemical	NOUN
eurjchem-2303	117	6	calculations	calculation	NOUN
eurjchem-2303	117	7	of	of	ADP
eurjchem-2303	117	8	2mba	2mba	NUM
eurjchem-2303	117	9	have	have	AUX
eurjchem-2303	117	10	been	be	AUX
eurjchem-2303	117	11	performed	perform	VERB
eurjchem-2303	117	12	by	by	ADP
eurjchem-2303	117	13	dft	dft	PROPN
eurjchem-2303	117	14	/	/	SYM
eurjchem-2303	117	15	b3lyp/6	b3lyp/6	PROPN
eurjchem-2303	117	16	-	-	PUNCT
eurjchem-2303	117	17	311g++(d	311g++(d	NUM
eurjchem-2303	117	18	,	,	PUNCT
eurjchem-2303	117	19	p	p	NOUN
eurjchem-2303	117	20	)	)	PUNCT
eurjchem-2303	117	21	basis	basis	NOUN
eurjchem-2303	117	22	set	set	NOUN
eurjchem-2303	117	23	,	,	PUNCT
eurjchem-2303	117	24	using	use	VERB
eurjchem-2303	117	25	the	the	DET
eurjchem-2303	117	26	gaussian	gaussian	NOUN
eurjchem-2303	117	27	09w	09w	NOUN
eurjchem-2303	117	28	program	program	NOUN
eurjchem-2303	117	29	[	[	X
eurjchem-2303	117	30	25	25	NUM
eurjchem-2303	117	31	]	]	PUNCT
eurjchem-2303	117	32	.	.	PUNCT
eurjchem-2303	118	1	the	the	DET
eurjchem-2303	118	2	optimized	optimize	VERB
eurjchem-2303	118	3	molecular	molecular	ADJ
eurjchem-2303	118	4	structure	structure	NOUN
eurjchem-2303	118	5	is	be	AUX
eurjchem-2303	118	6	shown	show	VERB
eurjchem-2303	118	7	in	in	ADP
eurjchem-2303	118	8	figure	figure	NOUN
eurjchem-2303	118	9	6	6	NUM
eurjchem-2303	118	10	and	and	CCONJ
eurjchem-2303	118	11	the	the	DET
eurjchem-2303	118	12	related	relate	VERB
eurjchem-2303	118	13	geometrical	geometrical	ADJ
eurjchem-2303	118	14	parameters	parameter	NOUN
eurjchem-2303	118	15	are	be	AUX
eurjchem-2303	118	16	given	give	VERB
eurjchem-2303	118	17	in	in	ADP
eurjchem-2303	118	18	table	table	NOUN
eurjchem-2303	118	19	2	2	NUM
eurjchem-2303	118	20	.	.	X
eurjchem-2303	118	21	3.3.1	3.3.1	NUM
eurjchem-2303	118	22	.	.	PUNCT
eurjchem-2303	118	23	frontier	frontier	NOUN
eurjchem-2303	118	24	molecular	molecular	ADJ
eurjchem-2303	118	25	orbitals	orbital	NOUN
eurjchem-2303	118	26	frontier	frontier	NOUN
eurjchem-2303	118	27	molecular	molecular	ADJ
eurjchem-2303	118	28	orbitals	orbital	NOUN
eurjchem-2303	118	29	(	(	PUNCT
eurjchem-2303	118	30	fmos	fmos	PROPN
eurjchem-2303	118	31	)	)	PUNCT
eurjchem-2303	118	32	,	,	PUNCT
eurjchem-2303	118	33	the	the	DET
eurjchem-2303	118	34	highest	highest	ADV
eurjchem-2303	118	35	occupied	occupy	VERB
eurjchem-2303	118	36	molecular	molecular	ADJ
eurjchem-2303	118	37	orbital	orbital	ADJ
eurjchem-2303	118	38	(	(	PUNCT
eurjchem-2303	118	39	homo	homo	NOUN
eurjchem-2303	118	40	)	)	PUNCT
eurjchem-2303	118	41	,	,	PUNCT
eurjchem-2303	118	42	and	and	CCONJ
eurjchem-2303	118	43	the	the	DET
eurjchem-2303	118	44	lowest	low	ADJ
eurjchem-2303	118	45	unoccupied	unoccupied	ADJ
eurjchem-2303	118	46	molecular	molecular	ADJ
eurjchem-2303	118	47	orbital	orbital	ADJ
eurjchem-2303	118	48	(	(	PUNCT
eurjchem-2303	118	49	lumo	lumo	NOUN
eurjchem-2303	118	50	)	)	PUNCT
eurjchem-2303	118	51	are	be	AUX
eurjchem-2303	118	52	the	the	DET
eurjchem-2303	118	53	most	most	ADV
eurjchem-2303	118	54	significant	significant	ADJ
eurjchem-2303	118	55	parameters	parameter	NOUN
eurjchem-2303	118	56	for	for	ADP
eurjchem-2303	118	57	quantum	quantum	ADJ
eurjchem-2303	118	58	chemistry	chemistry	NOUN
eurjchem-2303	118	59	,	,	PUNCT
eurjchem-2303	118	60	electrical	electrical	ADJ
eurjchem-2303	118	61	properties	property	NOUN
eurjchem-2303	118	62	,	,	PUNCT
eurjchem-2303	118	63	and	and	CCONJ
eurjchem-2303	118	64	molecule	molecule	NOUN
eurjchem-2303	118	65	interactions	interaction	NOUN
eurjchem-2303	118	66	with	with	ADP
eurjchem-2303	118	67	other	other	ADJ
eurjchem-2303	118	68	species	specie	NOUN
eurjchem-2303	118	69	.	.	PUNCT
eurjchem-2303	119	1	444	444	NUM
eurjchem-2303	119	2	murugan	murugan	NOUN
eurjchem-2303	119	3	et	et	NOUN
eurjchem-2303	119	4	al	al	PROPN
eurjchem-2303	119	5	.	.	PUNCT
eurjchem-2303	119	6	/	/	SYM
eurjchem-2303	119	7	european	european	PROPN
eurjchem-2303	119	8	journal	journal	PROPN
eurjchem-2303	119	9	of	of	ADP
eurjchem-2303	119	10	chemistry	chemistry	NOUN
eurjchem-2303	119	11	13	13	NUM
eurjchem-2303	119	12	(	(	PUNCT
eurjchem-2303	119	13	4	4	NUM
eurjchem-2303	119	14	)	)	PUNCT
eurjchem-2303	119	15	(	(	PUNCT
eurjchem-2303	119	16	2022	2022	NUM
eurjchem-2303	119	17	)	)	PUNCT
eurjchem-2303	119	18	440	440	NUM
eurjchem-2303	119	19	-	-	SYM
eurjchem-2303	119	20	450	450	NUM
eurjchem-2303	119	21	2022	2022	NUM
eurjchem-2303	119	22	–	–	PUNCT
eurjchem-2303	119	23	european	european	ADJ
eurjchem-2303	119	24	journal	journal	NOUN
eurjchem-2303	119	25	of	of	ADP
eurjchem-2303	119	26	chemistry	chemistry	NOUN
eurjchem-2303	119	27	–	–	PUNCT
eurjchem-2303	119	28	cc	cc	NOUN
eurjchem-2303	119	29	by	by	ADP
eurjchem-2303	119	30	nc	nc	PROPN
eurjchem-2303	119	31	–	–	PUNCT
eurjchem-2303	119	32	doi	doi	PROPN
eurjchem-2303	119	33	:	:	PUNCT
eurjchem-2303	119	34	10.5155	10.5155	NUM
eurjchem-2303	119	35	/	/	SYM
eurjchem-2303	119	36	eurjchem.13.4.440	eurjchem.13.4.440	PROPN
eurjchem-2303	119	37	-	-	SYM
eurjchem-2303	119	38	450.2303	450.2303	NUM
eurjchem-2303	119	39	(	(	PUNCT
eurjchem-2303	119	40	a	a	NOUN
eurjchem-2303	119	41	)	)	PUNCT
eurjchem-2303	119	42	(	(	PUNCT
eurjchem-2303	119	43	b	b	X
eurjchem-2303	119	44	)	)	PUNCT
eurjchem-2303	119	45	(	(	PUNCT
eurjchem-2303	119	46	c	c	X
eurjchem-2303	119	47	)	)	PUNCT
eurjchem-2303	119	48	(	(	PUNCT
eurjchem-2303	119	49	d	d	X
eurjchem-2303	119	50	)	)	PUNCT
eurjchem-2303	119	51	(	(	PUNCT
eurjchem-2303	119	52	e	e	NOUN
eurjchem-2303	119	53	)	)	PUNCT
eurjchem-2303	119	54	figure	figure	NOUN
eurjchem-2303	119	55	4	4	NUM
eurjchem-2303	119	56	.	.	PUNCT
eurjchem-2303	119	57	two	two	NUM
eurjchem-2303	119	58	-	-	PUNCT
eurjchem-2303	119	59	dimensional	dimensional	ADJ
eurjchem-2303	119	60	fingerprint	fingerprint	NOUN
eurjchem-2303	119	61	plot	plot	NOUN
eurjchem-2303	119	62	for	for	ADP
eurjchem-2303	119	63	the	the	DET
eurjchem-2303	119	64	title	title	NOUN
eurjchem-2303	119	65	compound	compound	NOUN
eurjchem-2303	119	66	showing	show	VERB
eurjchem-2303	119	67	the	the	DET
eurjchem-2303	119	68	contributions	contribution	NOUN
eurjchem-2303	119	69	of	of	ADP
eurjchem-2303	119	70	individual	individual	ADJ
eurjchem-2303	119	71	types	type	NOUN
eurjchem-2303	119	72	of	of	ADP
eurjchem-2303	119	73	interactions	interaction	NOUN
eurjchem-2303	119	74	:	:	PUNCT
eurjchem-2303	119	75	(	(	PUNCT
eurjchem-2303	119	76	a	a	X
eurjchem-2303	119	77	)	)	PUNCT
eurjchem-2303	119	78	all	all	DET
eurjchem-2303	119	79	intermolecular	intermolecular	ADJ
eurjchem-2303	119	80	contacts	contact	NOUN
eurjchem-2303	119	81	,	,	PUNCT
eurjchem-2303	119	82	(	(	PUNCT
eurjchem-2303	119	83	b	b	X
eurjchem-2303	119	84	)	)	PUNCT
eurjchem-2303	119	85	c···h	c···h	PROPN
eurjchem-2303	119	86	contacts	contact	NOUN
eurjchem-2303	119	87	,	,	PUNCT
eurjchem-2303	119	88	(	(	PUNCT
eurjchem-2303	119	89	c	c	X
eurjchem-2303	119	90	)	)	PUNCT
eurjchem-2303	119	91	o···h	o···h	PROPN
eurjchem-2303	119	92	/	/	SYM
eurjchem-2303	119	93	h···o	h···o	PROPN
eurjchem-2303	119	94	contacts	contact	NOUN
eurjchem-2303	119	95	,	,	PUNCT
eurjchem-2303	119	96	(	(	PUNCT
eurjchem-2303	119	97	d	d	X
eurjchem-2303	119	98	)	)	PUNCT
eurjchem-2303	119	99	h···h	h···h	PROPN
eurjchem-2303	119	100	contacts	contact	NOUN
eurjchem-2303	119	101	,	,	PUNCT
eurjchem-2303	119	102	and	and	CCONJ
eurjchem-2303	119	103	(	(	PUNCT
eurjchem-2303	119	104	e	e	NOUN
eurjchem-2303	119	105	)	)	PUNCT
eurjchem-2303	119	106	n···h	n···h	PROPN
eurjchem-2303	119	107	/	/	SYM
eurjchem-2303	119	108	h···n	h···n	NOUN
eurjchem-2303	119	109	contacts	contact	NOUN
eurjchem-2303	119	110	.	.	PUNCT
eurjchem-2303	120	1	figure	figure	NOUN
eurjchem-2303	120	2	5	5	NUM
eurjchem-2303	120	3	.	.	PUNCT
eurjchem-2303	120	4	energy	energy	NOUN
eurjchem-2303	120	5	frameworks	framework	NOUN
eurjchem-2303	120	6	of	of	ADP
eurjchem-2303	120	7	2mba	2mba	NUM
eurjchem-2303	120	8	.	.	PUNCT
eurjchem-2303	121	1	the	the	DET
eurjchem-2303	121	2	chemical	chemical	NOUN
eurjchem-2303	121	3	reactivity	reactivity	NOUN
eurjchem-2303	121	4	descriptors	descriptor	NOUN
eurjchem-2303	121	5	[	[	X
eurjchem-2303	121	6	38	38	NUM
eurjchem-2303	121	7	]	]	PUNCT
eurjchem-2303	121	8	such	such	ADJ
eurjchem-2303	121	9	as	as	ADP
eurjchem-2303	121	10	ehomo	ehomo	ADJ
eurjchem-2303	121	11	ionization	ionization	NOUN
eurjchem-2303	121	12	potential	potential	NOUN
eurjchem-2303	121	13	(	(	PUNCT
eurjchem-2303	121	14	a	a	X
eurjchem-2303	121	15	)	)	PUNCT
eurjchem-2303	121	16	,	,	PUNCT
eurjchem-2303	121	17	elumo	elumo	ADJ
eurjchem-2303	121	18	electron	electron	NOUN
eurjchem-2303	121	19	affinity	affinity	NOUN
eurjchem-2303	121	20	,	,	PUNCT
eurjchem-2303	121	21	chemical	chemical	NOUN
eurjchem-2303	121	22	hardness	hardness	NOUN
eurjchem-2303	121	23	(	(	PUNCT
eurjchem-2303	121	24	η	η	NOUN
eurjchem-2303	121	25	)	)	PUNCT
eurjchem-2303	121	26	,	,	PUNCT
eurjchem-2303	121	27	chemical	chemical	NOUN
eurjchem-2303	121	28	potential	potential	NOUN
eurjchem-2303	121	29	(	(	PUNCT
eurjchem-2303	121	30	μ	μ	NOUN
eurjchem-2303	121	31	)	)	PUNCT
eurjchem-2303	121	32	,	,	PUNCT
eurjchem-2303	121	33	softness	softness	NOUN
eurjchem-2303	121	34	(	(	PUNCT
eurjchem-2303	121	35	s	s	NOUN
eurjchem-2303	121	36	)	)	PUNCT
eurjchem-2303	121	37	,	,	PUNCT
eurjchem-2303	121	38	electronegativity	electronegativity	NOUN
eurjchem-2303	121	39	(	(	PUNCT
eurjchem-2303	121	40	χ	χ	NOUN
eurjchem-2303	121	41	)	)	PUNCT
eurjchem-2303	121	42	,	,	PUNCT
eurjchem-2303	121	43	nucleophilicity	nucleophilicity	NOUN
eurjchem-2303	121	44	index	index	NOUN
eurjchem-2303	121	45	(	(	PUNCT
eurjchem-2303	121	46	ε	ε	PROPN
eurjchem-2303	121	47	)	)	PUNCT
eurjchem-2303	121	48	and	and	CCONJ
eurjchem-2303	121	49	electrophilicity	electrophilicity	NOUN
eurjchem-2303	121	50	index	index	NOUN
eurjchem-2303	121	51	(	(	PUNCT
eurjchem-2303	121	52	ω	ω	NOUN
eurjchem-2303	121	53	)	)	PUNCT
eurjchem-2303	121	54	of	of	ADP
eurjchem-2303	121	55	the	the	DET
eurjchem-2303	121	56	2mba	2mba	NUM
eurjchem-2303	121	57	molecule	molecule	NOUN
eurjchem-2303	121	58	shown	show	VERB
eurjchem-2303	121	59	in	in	ADP
eurjchem-2303	121	60	table	table	NOUN
eurjchem-2303	121	61	5	5	NUM
eurjchem-2303	121	62	.	.	PUNCT
eurjchem-2303	122	1	the	the	DET
eurjchem-2303	122	2	energy	energy	NOUN
eurjchem-2303	122	3	gap	gap	NOUN
eurjchem-2303	122	4	for	for	ADP
eurjchem-2303	122	5	2mba	2mba	PROPN
eurjchem-2303	122	6	is	be	AUX
eurjchem-2303	122	7	5.7795	5.7795	NUM
eurjchem-2303	122	8	ev	ev	NOUN
eurjchem-2303	122	9	.	.	PUNCT
eurjchem-2303	123	1	therefore	therefore	ADV
eurjchem-2303	123	2	,	,	PUNCT
eurjchem-2303	123	3	the	the	DET
eurjchem-2303	123	4	molecule	molecule	NOUN
eurjchem-2303	123	5	is	be	AUX
eurjchem-2303	123	6	highly	highly	ADV
eurjchem-2303	123	7	polarizable	polarizable	ADJ
eurjchem-2303	123	8	and	and	CCONJ
eurjchem-2303	123	9	highly	highly	ADV
eurjchem-2303	123	10	reactive	reactive	ADJ
eurjchem-2303	123	11	(	(	PUNCT
eurjchem-2303	123	12	figure	figure	NOUN
eurjchem-2303	123	13	7	7	NUM
eurjchem-2303	123	14	)	)	PUNCT
eurjchem-2303	123	15	.	.	PUNCT
eurjchem-2303	124	1	3.3.2	3.3.2	X
eurjchem-2303	124	2	.	.	X
eurjchem-2303	125	1	molecular	molecular	ADJ
eurjchem-2303	125	2	electrostatic	electrostatic	ADJ
eurjchem-2303	125	3	potential	potential	NOUN
eurjchem-2303	125	4	the	the	DET
eurjchem-2303	125	5	molecular	molecular	ADJ
eurjchem-2303	125	6	electrostatic	electrostatic	ADJ
eurjchem-2303	125	7	potential	potential	NOUN
eurjchem-2303	125	8	(	(	PUNCT
eurjchem-2303	125	9	mep	mep	PROPN
eurjchem-2303	125	10	)	)	PUNCT
eurjchem-2303	125	11	map	map	NOUN
eurjchem-2303	125	12	is	be	AUX
eurjchem-2303	125	13	an	an	DET
eurjchem-2303	125	14	important	important	ADJ
eurjchem-2303	125	15	tool	tool	NOUN
eurjchem-2303	125	16	for	for	ADP
eurjchem-2303	125	17	explaining	explain	VERB
eurjchem-2303	125	18	the	the	DET
eurjchem-2303	125	19	electrostatic	electrostatic	ADJ
eurjchem-2303	125	20	interactions	interaction	NOUN
eurjchem-2303	125	21	.	.	PUNCT
eurjchem-2303	126	1	in	in	ADP
eurjchem-2303	126	2	order	order	NOUN
eurjchem-2303	126	3	to	to	PART
eurjchem-2303	126	4	find	find	VERB
eurjchem-2303	126	5	the	the	DET
eurjchem-2303	126	6	most	most	ADV
eurjchem-2303	126	7	active	active	ADJ
eurjchem-2303	126	8	regions	region	NOUN
eurjchem-2303	126	9	of	of	ADP
eurjchem-2303	126	10	the	the	DET
eurjchem-2303	126	11	molecule	molecule	NOUN
eurjchem-2303	126	12	,	,	PUNCT
eurjchem-2303	126	13	the	the	DET
eurjchem-2303	126	14	molecular	molecular	ADJ
eurjchem-2303	126	15	electrostatic	electrostatic	ADJ
eurjchem-2303	126	16	potential	potential	ADJ
eurjchem-2303	126	17	map	map	NOUN
eurjchem-2303	126	18	surfaces	surface	NOUN
eurjchem-2303	126	19	were	be	AUX
eurjchem-2303	126	20	taken	take	VERB
eurjchem-2303	126	21	into	into	ADP
eurjchem-2303	126	22	consideration	consideration	NOUN
eurjchem-2303	126	23	.	.	PUNCT
eurjchem-2303	127	1	the	the	DET
eurjchem-2303	127	2	negative	negative	ADJ
eurjchem-2303	127	3	area	area	NOUN
eurjchem-2303	127	4	,	,	PUNCT
eurjchem-2303	127	5	which	which	PRON
eurjchem-2303	127	6	is	be	AUX
eurjchem-2303	127	7	considered	consider	VERB
eurjchem-2303	127	8	a	a	DET
eurjchem-2303	127	9	nucleophilic	nucleophilic	ADJ
eurjchem-2303	127	10	site	site	NOUN
eurjchem-2303	127	11	,	,	PUNCT
eurjchem-2303	127	12	is	be	AUX
eurjchem-2303	127	13	usually	usually	ADV
eurjchem-2303	127	14	colored	color	VERB
eurjchem-2303	127	15	red	red	ADJ
eurjchem-2303	127	16	(	(	PUNCT
eurjchem-2303	127	17	the	the	DET
eurjchem-2303	127	18	strongest	strong	ADJ
eurjchem-2303	127	19	repulsion	repulsion	NOUN
eurjchem-2303	127	20	)	)	PUNCT
eurjchem-2303	127	21	,	,	PUNCT
eurjchem-2303	127	22	whereas	whereas	SCONJ
eurjchem-2303	127	23	the	the	DET
eurjchem-2303	127	24	negative	negative	ADJ
eurjchem-2303	127	25	region	region	NOUN
eurjchem-2303	127	26	,	,	PUNCT
eurjchem-2303	127	27	which	which	PRON
eurjchem-2303	127	28	is	be	AUX
eurjchem-2303	127	29	the	the	DET
eurjchem-2303	127	30	preferred	preferred	ADJ
eurjchem-2303	127	31	electrophilic	electrophilic	ADJ
eurjchem-2303	127	32	site	site	NOUN
eurjchem-2303	127	33	,	,	PUNCT
eurjchem-2303	127	34	is	be	AUX
eurjchem-2303	127	35	colored	color	VERB
eurjchem-2303	127	36	blue	blue	ADJ
eurjchem-2303	127	37	(	(	PUNCT
eurjchem-2303	127	38	the	the	DET
eurjchem-2303	127	39	strongest	strong	ADJ
eurjchem-2303	127	40	attraction	attraction	NOUN
eurjchem-2303	127	41	)	)	PUNCT
eurjchem-2303	127	42	.	.	PUNCT
eurjchem-2303	128	1	the	the	DET
eurjchem-2303	128	2	green	green	ADJ
eurjchem-2303	128	3	-	-	PUNCT
eurjchem-2303	128	4	colored	colored	ADJ
eurjchem-2303	128	5	patch	patch	NOUN
eurjchem-2303	128	6	on	on	ADP
eurjchem-2303	128	7	the	the	DET
eurjchem-2303	128	8	map	map	NOUN
eurjchem-2303	128	9	shows	show	VERB
eurjchem-2303	128	10	a	a	DET
eurjchem-2303	128	11	neutral	neutral	ADJ
eurjchem-2303	128	12	potential	potential	NOUN
eurjchem-2303	128	13	.	.	PUNCT
eurjchem-2303	129	1	from	from	ADP
eurjchem-2303	129	2	the	the	DET
eurjchem-2303	129	3	mep	mep	PROPN
eurjchem-2303	129	4	map	map	NOUN
eurjchem-2303	129	5	as	as	SCONJ
eurjchem-2303	129	6	shown	show	VERB
eurjchem-2303	129	7	in	in	ADP
eurjchem-2303	129	8	figure	figure	NOUN
eurjchem-2303	129	9	8	8	NUM
eurjchem-2303	129	10	,	,	PUNCT
eurjchem-2303	129	11	it	it	PRON
eurjchem-2303	129	12	is	be	AUX
eurjchem-2303	129	13	evident	evident	ADJ
eurjchem-2303	129	14	that	that	SCONJ
eurjchem-2303	129	15	most	most	ADJ
eurjchem-2303	129	16	of	of	ADP
eurjchem-2303	129	17	the	the	DET
eurjchem-2303	129	18	reactive	reactive	ADJ
eurjchem-2303	129	19	and	and	CCONJ
eurjchem-2303	129	20	negative	negative	ADJ
eurjchem-2303	129	21	region	region	NOUN
eurjchem-2303	129	22	is	be	AUX
eurjchem-2303	129	23	around	around	ADP
eurjchem-2303	129	24	the	the	DET
eurjchem-2303	129	25	methoxy	methoxy	ADJ
eurjchem-2303	129	26	group	group	NOUN
eurjchem-2303	129	27	.	.	PUNCT
eurjchem-2303	130	1	the	the	DET
eurjchem-2303	130	2	electrons	electron	NOUN
eurjchem-2303	130	3	present	present	ADJ
eurjchem-2303	130	4	in	in	ADP
eurjchem-2303	130	5	this	this	DET
eurjchem-2303	130	6	area	area	NOUN
eurjchem-2303	130	7	could	could	AUX
eurjchem-2303	130	8	be	be	AUX
eurjchem-2303	130	9	readily	readily	ADV
eurjchem-2303	130	10	provided	provide	VERB
eurjchem-2303	130	11	to	to	ADP
eurjchem-2303	130	12	the	the	DET
eurjchem-2303	130	13	acceptor	acceptor	NOUN
eurjchem-2303	130	14	species	specie	NOUN
eurjchem-2303	130	15	[	[	X
eurjchem-2303	130	16	39	39	NUM
eurjchem-2303	130	17	]	]	PUNCT
eurjchem-2303	130	18	.	.	PUNCT
eurjchem-2303	131	1	murugan	murugan	PROPN
eurjchem-2303	131	2	et	et	PROPN
eurjchem-2303	131	3	al	al	PROPN
eurjchem-2303	131	4	.	.	PUNCT
eurjchem-2303	131	5	/	/	SYM
eurjchem-2303	131	6	european	european	PROPN
eurjchem-2303	131	7	journal	journal	PROPN
eurjchem-2303	131	8	of	of	ADP
eurjchem-2303	131	9	chemistry	chemistry	NOUN
eurjchem-2303	131	10	13	13	NUM
eurjchem-2303	131	11	(	(	PUNCT
eurjchem-2303	131	12	4	4	NUM
eurjchem-2303	131	13	)	)	PUNCT
eurjchem-2303	131	14	(	(	PUNCT
eurjchem-2303	131	15	2022	2022	NUM
eurjchem-2303	131	16	)	)	PUNCT
eurjchem-2303	131	17	440	440	NUM
eurjchem-2303	131	18	-	-	SYM
eurjchem-2303	131	19	450	450	NUM
eurjchem-2303	131	20	445	445	NUM
eurjchem-2303	131	21	2022	2022	NUM
eurjchem-2303	131	22	–	–	PUNCT
eurjchem-2303	131	23	european	european	ADJ
eurjchem-2303	131	24	journal	journal	NOUN
eurjchem-2303	131	25	of	of	ADP
eurjchem-2303	131	26	chemistry	chemistry	NOUN
eurjchem-2303	131	27	–	–	PUNCT
eurjchem-2303	131	28	cc	cc	NOUN
eurjchem-2303	131	29	by	by	ADP
eurjchem-2303	131	30	nc	nc	PROPN
eurjchem-2303	131	31	–	–	PUNCT
eurjchem-2303	131	32	doi	doi	PROPN
eurjchem-2303	131	33	:	:	PUNCT
eurjchem-2303	131	34	10.5155	10.5155	NUM
eurjchem-2303	131	35	/	/	SYM
eurjchem-2303	131	36	eurjchem.13.4.440	eurjchem.13.4.440	PRON
eurjchem-2303	131	37	-	-	SYM
eurjchem-2303	131	38	450.2303	450.2303	NUM
eurjchem-2303	131	39	table	table	NOUN
eurjchem-2303	131	40	5	5	NUM
eurjchem-2303	131	41	.	.	PUNCT
eurjchem-2303	131	42	calculated	calculate	VERB
eurjchem-2303	131	43	frontier	frontier	NOUN
eurjchem-2303	131	44	molecular	molecular	ADJ
eurjchem-2303	131	45	orbital	orbital	ADJ
eurjchem-2303	131	46	analysis	analysis	NOUN
eurjchem-2303	131	47	and	and	CCONJ
eurjchem-2303	131	48	chemical	chemical	NOUN
eurjchem-2303	131	49	reactivity	reactivity	NOUN
eurjchem-2303	131	50	descriptors	descriptor	NOUN
eurjchem-2303	131	51	of	of	ADP
eurjchem-2303	131	52	the	the	DET
eurjchem-2303	131	53	2mba	2mba	PROPN
eurjchem-2303	131	54	.	.	PUNCT
eurjchem-2303	132	1	parameters	parameter	NOUN
eurjchem-2303	132	2	equations	equation	NOUN
eurjchem-2303	132	3	values	value	NOUN
eurjchem-2303	132	4	ehomo	ehomo	ADJ
eurjchem-2303	132	5	homo	homo	NOUN
eurjchem-2303	132	6	-6.4014	-6.4014	NOUN
eurjchem-2303	132	7	elumo	elumo	PROPN
eurjchem-2303	132	8	lumo	lumo	PROPN
eurjchem-2303	132	9	-0.6219	-0.6219	NOUN
eurjchem-2303	133	1	i	i	PRON
eurjchem-2303	133	2	minus	minus	ADP
eurjchem-2303	133	3	of	of	ADP
eurjchem-2303	133	4	homo	homo	NOUN
eurjchem-2303	133	5	6.4014	6.4014	NUM
eurjchem-2303	133	6	ev	ev	ADP
eurjchem-2303	133	7	a	a	DET
eurjchem-2303	133	8	minus	minus	NOUN
eurjchem-2303	133	9	of	of	ADP
eurjchem-2303	133	10	lumo	lumo	NOUN
eurjchem-2303	133	11	0.62190	0.62190	NUM
eurjchem-2303	133	12	ev	ev	ADP
eurjchem-2303	133	13	egap	egap	PROPN
eurjchem-2303	133	14	∆e	∆e	PROPN
eurjchem-2303	133	15	=	=	SYM
eurjchem-2303	133	16	(	(	PUNCT
eurjchem-2303	133	17	i	i	NOUN
eurjchem-2303	133	18	-	-	PUNCT
eurjchem-2303	133	19	a	a	NOUN
eurjchem-2303	133	20	)	)	PUNCT
eurjchem-2303	133	21	5.7795	5.7795	NUM
eurjchem-2303	133	22	ev	ev	ADP
eurjchem-2303	133	23	chemical	chemical	PROPN
eurjchem-2303	133	24	hardness	hardness	PROPN
eurjchem-2303	133	25	η	η	PROPN
eurjchem-2303	133	26	=	=	SYM
eurjchem-2303	133	27	(	(	PUNCT
eurjchem-2303	133	28	i	i	PROPN
eurjchem-2303	133	29	-	-	PUNCT
eurjchem-2303	133	30	a)/2	a)/2	PROPN
eurjchem-2303	133	31	]	]	PUNCT
eurjchem-2303	134	1	2.88975	2.88975	NUM
eurjchem-2303	134	2	ev	ev	ADP
eurjchem-2303	134	3	chemical	chemical	ADJ
eurjchem-2303	134	4	potential	potential	NOUN
eurjchem-2303	134	5	µ	µ	X
eurjchem-2303	134	6	=	=	SYM
eurjchem-2303	134	7	-(i+a)/2	-(i+a)/2	PROPN
eurjchem-2303	134	8	)	)	PUNCT
eurjchem-2303	134	9	3.51165	3.51165	NUM
eurjchem-2303	134	10	ev	ev	ADP
eurjchem-2303	134	11	electronegativity	electronegativity	NOUN
eurjchem-2303	134	12	χ	χ	NOUN
eurjchem-2303	134	13	=	=	SYM
eurjchem-2303	134	14	(	(	PUNCT
eurjchem-2303	134	15	-μ	-μ	NOUN
eurjchem-2303	134	16	)	)	PUNCT
eurjchem-2303	134	17	-3.51165ev	-3.51165ev	DET
eurjchem-2303	134	18	softness	softness	NOUN
eurjchem-2303	134	19	s	s	PART
eurjchem-2303	134	20	=	=	X
eurjchem-2303	134	21	(	(	PUNCT
eurjchem-2303	134	22	1	1	NUM
eurjchem-2303	134	23	/	/	SYM
eurjchem-2303	134	24	η	η	NOUN
eurjchem-2303	134	25	)	)	PUNCT
eurjchem-2303	134	26	0.34605	0.34605	NUM
eurjchem-2303	134	27	1	1	NUM
eurjchem-2303	134	28	/	/	SYM
eurjchem-2303	134	29	ev	ev	ADP
eurjchem-2303	134	30	electrophilicity	electrophilicity	NOUN
eurjchem-2303	134	31	index	index	NOUN
eurjchem-2303	134	32	ω	ω	PROPN
eurjchem-2303	134	33	=	=	SYM
eurjchem-2303	134	34	(	(	PUNCT
eurjchem-2303	134	35	μ2/2η	μ2/2η	NOUN
eurjchem-2303	134	36	)	)	PUNCT
eurjchem-2303	134	37	2.1337	2.1337	NUM
eurjchem-2303	134	38	ev	ev	DET
eurjchem-2303	134	39	nucleophilicity	nucleophilicity	NOUN
eurjchem-2303	134	40	index	index	NOUN
eurjchem-2303	134	41	ε	ε	PROPN
eurjchem-2303	134	42	=	=	SYM
eurjchem-2303	134	43	1	1	NUM
eurjchem-2303	134	44	/	/	SYM
eurjchem-2303	134	45	ω	ω	NUM
eurjchem-2303	134	46	0.4687	0.4687	NUM
eurjchem-2303	134	47	ev	ev	DET
eurjchem-2303	134	48	dipole	dipole	NOUN
eurjchem-2303	134	49	moment	moment	NOUN
eurjchem-2303	134	50	µ	µ	ADJ
eurjchem-2303	134	51	5.2885	5.2885	NUM
eurjchem-2303	134	52	figure	figure	NOUN
eurjchem-2303	134	53	6	6	NUM
eurjchem-2303	134	54	.	.	PUNCT
eurjchem-2303	135	1	dft	dft	PROPN
eurjchem-2303	135	2	optimized	optimize	VERB
eurjchem-2303	135	3	structure	structure	NOUN
eurjchem-2303	135	4	of	of	ADP
eurjchem-2303	135	5	2mba	2mba	PROPN
eurjchem-2303	135	6	.	.	PUNCT
eurjchem-2303	136	1	elumo	elumo	ADJ
eurjchem-2303	136	2	=	=	SYM
eurjchem-2303	136	3	-0.6219	-0.6219	NOUN
eurjchem-2303	136	4	ev	ev	PROPN
eurjchem-2303	136	5	↕	↕	PROPN
eurjchem-2303	136	6	egap	egap	PROPN
eurjchem-2303	136	7	=	=	PUNCT
eurjchem-2303	137	1	5.7795	5.7795	NUM
eurjchem-2303	137	2	ev	ev	INTJ
eurjchem-2303	137	3	ehomo	ehomo	NOUN
eurjchem-2303	137	4	=	=	SYM
eurjchem-2303	137	5	-6.4014	-6.4014	NOUN
eurjchem-2303	137	6	ev	ev	INTJ
eurjchem-2303	137	7	figure	figure	NOUN
eurjchem-2303	137	8	7	7	NUM
eurjchem-2303	137	9	.	.	PUNCT
eurjchem-2303	138	1	the	the	DET
eurjchem-2303	138	2	graphical	graphical	ADJ
eurjchem-2303	138	3	presentation	presentation	NOUN
eurjchem-2303	138	4	of	of	ADP
eurjchem-2303	138	5	the	the	DET
eurjchem-2303	138	6	homo	homo	NOUN
eurjchem-2303	138	7	-	-	PUNCT
eurjchem-2303	138	8	lumo	lumo	NOUN
eurjchem-2303	138	9	of	of	ADP
eurjchem-2303	138	10	2mba	2mba	PROPN
eurjchem-2303	138	11	.	.	PUNCT
eurjchem-2303	139	1	figure	figure	NOUN
eurjchem-2303	139	2	8	8	NUM
eurjchem-2303	139	3	.	.	PUNCT
eurjchem-2303	140	1	the	the	DET
eurjchem-2303	140	2	mep	mep	PROPN
eurjchem-2303	140	3	surfaces	surface	NOUN
eurjchem-2303	140	4	of	of	ADP
eurjchem-2303	140	5	2mba	2mba	NUM
eurjchem-2303	140	6	by	by	ADP
eurjchem-2303	140	7	using	use	VERB
eurjchem-2303	140	8	dft	dft	PROPN
eurjchem-2303	140	9	/	/	SYM
eurjchem-2303	140	10	b3lyp/6311g++(d	b3lyp/6311g++(d	ADJ
eurjchem-2303	140	11	,	,	PUNCT
eurjchem-2303	140	12	p	p	NOUN
eurjchem-2303	140	13	)	)	PUNCT
eurjchem-2303	140	14	.	.	PUNCT
eurjchem-2303	141	1	446	446	NUM
eurjchem-2303	141	2	murugan	murugan	NOUN
eurjchem-2303	141	3	et	et	PROPN
eurjchem-2303	141	4	al	al	PROPN
eurjchem-2303	141	5	.	.	PUNCT
eurjchem-2303	141	6	/	/	SYM
eurjchem-2303	141	7	european	european	PROPN
eurjchem-2303	141	8	journal	journal	PROPN
eurjchem-2303	141	9	of	of	ADP
eurjchem-2303	141	10	chemistry	chemistry	NOUN
eurjchem-2303	141	11	13	13	NUM
eurjchem-2303	141	12	(	(	PUNCT
eurjchem-2303	141	13	4	4	NUM
eurjchem-2303	141	14	)	)	PUNCT
eurjchem-2303	141	15	(	(	PUNCT
eurjchem-2303	141	16	2022	2022	NUM
eurjchem-2303	141	17	)	)	PUNCT
eurjchem-2303	141	18	440	440	NUM
eurjchem-2303	141	19	-	-	SYM
eurjchem-2303	141	20	450	450	NUM
eurjchem-2303	141	21	2022	2022	NUM
eurjchem-2303	141	22	–	–	PUNCT
eurjchem-2303	141	23	european	european	ADJ
eurjchem-2303	141	24	journal	journal	NOUN
eurjchem-2303	141	25	of	of	ADP
eurjchem-2303	141	26	chemistry	chemistry	NOUN
eurjchem-2303	141	27	–	–	PUNCT
eurjchem-2303	141	28	cc	cc	NOUN
eurjchem-2303	141	29	by	by	ADP
eurjchem-2303	141	30	nc	nc	PROPN
eurjchem-2303	141	31	–	–	PUNCT
eurjchem-2303	141	32	doi	doi	PROPN
eurjchem-2303	141	33	:	:	PUNCT
eurjchem-2303	141	34	10.5155	10.5155	NUM
eurjchem-2303	141	35	/	/	SYM
eurjchem-2303	141	36	eurjchem.13.4.440	eurjchem.13.4.440	PROPN
eurjchem-2303	141	37	-	-	SYM
eurjchem-2303	141	38	450.2303	450.2303	NUM
eurjchem-2303	141	39	(	(	PUNCT
eurjchem-2303	141	40	a	a	NOUN
eurjchem-2303	141	41	)	)	PUNCT
eurjchem-2303	141	42	(	(	PUNCT
eurjchem-2303	141	43	b	b	X
eurjchem-2303	141	44	)	)	PUNCT
eurjchem-2303	141	45	figure	figure	NOUN
eurjchem-2303	141	46	9	9	NUM
eurjchem-2303	141	47	.	.	PUNCT
eurjchem-2303	142	1	molecular	molecular	ADJ
eurjchem-2303	142	2	interaction	interaction	NOUN
eurjchem-2303	142	3	analysis	analysis	NOUN
eurjchem-2303	142	4	of	of	ADP
eurjchem-2303	142	5	ligand	ligand	NOUN
eurjchem-2303	142	6	with	with	ADP
eurjchem-2303	142	7	tankyrase-1	tankyrase-1	PROPN
eurjchem-2303	142	8	.	.	PUNCT
eurjchem-2303	143	1	(	(	PUNCT
eurjchem-2303	143	2	a	a	X
eurjchem-2303	143	3	)	)	PUNCT
eurjchem-2303	143	4	three	three	NUM
eurjchem-2303	143	5	-	-	PUNCT
eurjchem-2303	143	6	dimensional	dimensional	ADJ
eurjchem-2303	143	7	representation	representation	NOUN
eurjchem-2303	143	8	of	of	ADP
eurjchem-2303	143	9	molecular	molecular	ADJ
eurjchem-2303	143	10	interaction	interaction	NOUN
eurjchem-2303	143	11	of	of	ADP
eurjchem-2303	143	12	title	title	NOUN
eurjchem-2303	143	13	compound	compound	NOUN
eurjchem-2303	143	14	with	with	ADP
eurjchem-2303	143	15	tankyrase-1	tankyrase-1	PROPN
eurjchem-2303	143	16	(	(	PUNCT
eurjchem-2303	143	17	pdb	pdb	NOUN
eurjchem-2303	143	18	:	:	PUNCT
eurjchem-2303	143	19	7kkm	7kkm	NUM
eurjchem-2303	143	20	)	)	PUNCT
eurjchem-2303	143	21	(	(	PUNCT
eurjchem-2303	143	22	tankyrase-1	tankyrase-1	NOUN
eurjchem-2303	143	23	:	:	PUNCT
eurjchem-2303	143	24	cartoon	cartoon	NOUN
eurjchem-2303	143	25	pale	pale	ADJ
eurjchem-2303	143	26	blue	blue	NOUN
eurjchem-2303	143	27	,	,	PUNCT
eurjchem-2303	143	28	hydrogen	hydrogen	NOUN
eurjchem-2303	143	29	,	,	PUNCT
eurjchem-2303	143	30	and	and	CCONJ
eurjchem-2303	143	31	hydrophobic	hydrophobic	NOUN
eurjchem-2303	143	32	interacting	interact	VERB
eurjchem-2303	143	33	residues	residue	NOUN
eurjchem-2303	143	34	:	:	PUNCT
eurjchem-2303	143	35	orange	orange	ADJ
eurjchem-2303	143	36	lines	line	NOUN
eurjchem-2303	143	37	,	,	PUNCT
eurjchem-2303	143	38	ligand	ligand	NOUN
eurjchem-2303	143	39	:	:	PUNCT
eurjchem-2303	143	40	cyan	cyan	PROPN
eurjchem-2303	143	41	stick	stick	PROPN
eurjchem-2303	143	42	)	)	PUNCT
eurjchem-2303	143	43	and	and	CCONJ
eurjchem-2303	143	44	(	(	PUNCT
eurjchem-2303	143	45	b	b	X
eurjchem-2303	143	46	)	)	PUNCT
eurjchem-2303	143	47	twodimensional	twodimensional	ADJ
eurjchem-2303	143	48	representation	representation	NOUN
eurjchem-2303	143	49	of	of	ADP
eurjchem-2303	143	50	molecular	molecular	ADJ
eurjchem-2303	143	51	interaction	interaction	NOUN
eurjchem-2303	143	52	of	of	ADP
eurjchem-2303	143	53	title	title	NOUN
eurjchem-2303	143	54	compound	compound	NOUN
eurjchem-2303	143	55	with	with	ADP
eurjchem-2303	143	56	tankyrase-1	tankyrase-1	PROPN
eurjchem-2303	143	57	(	(	PUNCT
eurjchem-2303	143	58	pdb	pdb	NOUN
eurjchem-2303	143	59	:	:	PUNCT
eurjchem-2303	143	60	7kkm	7kkm	NUM
eurjchem-2303	143	61	)	)	PUNCT
eurjchem-2303	143	62	active	active	ADJ
eurjchem-2303	143	63	site	site	NOUN
eurjchem-2303	143	64	residues	residue	NOUN
eurjchem-2303	143	65	.	.	PUNCT
eurjchem-2303	144	1	(	(	PUNCT
eurjchem-2303	144	2	dotted	dotted	ADJ
eurjchem-2303	144	3	line	line	NOUN
eurjchem-2303	144	4	-	-	PUNCT
eurjchem-2303	144	5	hydrogen	hydrogen	NOUN
eurjchem-2303	144	6	bonds	bond	NOUN
eurjchem-2303	144	7	,	,	PUNCT
eurjchem-2303	144	8	arc	arc	NOUN
eurjchem-2303	144	9	structures	structure	NOUN
eurjchem-2303	144	10	-	-	PUNCT
eurjchem-2303	144	11	residues	residue	NOUN
eurjchem-2303	144	12	involved	involve	VERB
eurjchem-2303	144	13	in	in	ADP
eurjchem-2303	144	14	hydrophobic	hydrophobic	NOUN
eurjchem-2303	144	15	interaction	interaction	NOUN
eurjchem-2303	144	16	)	)	PUNCT
eurjchem-2303	144	17	.	.	PUNCT
eurjchem-2303	145	1	(	(	PUNCT
eurjchem-2303	145	2	a	a	X
eurjchem-2303	145	3	)	)	PUNCT
eurjchem-2303	145	4	(	(	PUNCT
eurjchem-2303	145	5	b	b	X
eurjchem-2303	145	6	)	)	PUNCT
eurjchem-2303	145	7	figure	figure	NOUN
eurjchem-2303	145	8	10	10	NUM
eurjchem-2303	145	9	.	.	PUNCT
eurjchem-2303	146	1	molecular	molecular	ADJ
eurjchem-2303	146	2	interaction	interaction	NOUN
eurjchem-2303	146	3	analysis	analysis	NOUN
eurjchem-2303	146	4	of	of	ADP
eurjchem-2303	146	5	ligand	ligand	NOUN
eurjchem-2303	146	6	with	with	ADP
eurjchem-2303	146	7	tankyrase-2	tankyrase-2	PRON
eurjchem-2303	146	8	.	.	PUNCT
eurjchem-2303	147	1	(	(	PUNCT
eurjchem-2303	147	2	a	a	X
eurjchem-2303	147	3	)	)	PUNCT
eurjchem-2303	147	4	three	three	NUM
eurjchem-2303	147	5	-	-	PUNCT
eurjchem-2303	147	6	dimensional	dimensional	ADJ
eurjchem-2303	147	7	representation	representation	NOUN
eurjchem-2303	147	8	of	of	ADP
eurjchem-2303	147	9	molecular	molecular	ADJ
eurjchem-2303	147	10	interaction	interaction	NOUN
eurjchem-2303	147	11	of	of	ADP
eurjchem-2303	147	12	title	title	NOUN
eurjchem-2303	147	13	compound	compound	NOUN
eurjchem-2303	147	14	with	with	ADP
eurjchem-2303	147	15	tankyrase-2	tankyrase-2	PROPN
eurjchem-2303	147	16	(	(	PUNCT
eurjchem-2303	147	17	pdb	pdb	NOUN
eurjchem-2303	147	18	:	:	PUNCT
eurjchem-2303	147	19	3kr7	3kr7	NUM
eurjchem-2303	147	20	)	)	PUNCT
eurjchem-2303	147	21	and	and	CCONJ
eurjchem-2303	147	22	(	(	PUNCT
eurjchem-2303	147	23	b	b	NOUN
eurjchem-2303	147	24	)	)	PUNCT
eurjchem-2303	147	25	two	two	NUM
eurjchem-2303	147	26	-	-	PUNCT
eurjchem-2303	147	27	dimensional	dimensional	ADJ
eurjchem-2303	147	28	representation	representation	NOUN
eurjchem-2303	147	29	of	of	ADP
eurjchem-2303	147	30	molecular	molecular	ADJ
eurjchem-2303	147	31	interaction	interaction	NOUN
eurjchem-2303	147	32	of	of	ADP
eurjchem-2303	147	33	title	title	NOUN
eurjchem-2303	147	34	compound	compound	NOUN
eurjchem-2303	147	35	with	with	ADP
eurjchem-2303	147	36	tankyrase-2	tankyrase-2	PROPN
eurjchem-2303	147	37	(	(	PUNCT
eurjchem-2303	147	38	pdb	pdb	NOUN
eurjchem-2303	147	39	:	:	PUNCT
eurjchem-2303	147	40	3kr7	3kr7	NUM
eurjchem-2303	147	41	)	)	PUNCT
eurjchem-2303	147	42	active	active	ADJ
eurjchem-2303	147	43	site	site	NOUN
eurjchem-2303	147	44	residues	residue	NOUN
eurjchem-2303	147	45	.	.	PUNCT
eurjchem-2303	148	1	(	(	PUNCT
eurjchem-2303	148	2	dotted	dotted	ADJ
eurjchem-2303	148	3	line	line	NOUN
eurjchem-2303	148	4	-	-	PUNCT
eurjchem-2303	148	5	hydrogen	hydrogen	NOUN
eurjchem-2303	148	6	bonds	bond	NOUN
eurjchem-2303	148	7	,	,	PUNCT
eurjchem-2303	148	8	arc	arc	NOUN
eurjchem-2303	148	9	structures	structure	NOUN
eurjchem-2303	148	10	-	-	PUNCT
eurjchem-2303	148	11	residues	residue	NOUN
eurjchem-2303	148	12	involved	involve	VERB
eurjchem-2303	148	13	in	in	ADP
eurjchem-2303	148	14	hydrophobic	hydrophobic	NOUN
eurjchem-2303	148	15	interaction	interaction	NOUN
eurjchem-2303	148	16	)	)	PUNCT
eurjchem-2303	148	17	.	.	PUNCT
eurjchem-2303	149	1	3.4	3.4	NUM
eurjchem-2303	149	2	.	.	X
eurjchem-2303	150	1	molecular	molecular	ADJ
eurjchem-2303	150	2	docking	dock	VERB
eurjchem-2303	150	3	the	the	DET
eurjchem-2303	150	4	in	in	ADP
eurjchem-2303	150	5	-	-	PUNCT
eurjchem-2303	150	6	silico	silico	NOUN
eurjchem-2303	150	7	analysis	analysis	NOUN
eurjchem-2303	150	8	of	of	ADP
eurjchem-2303	150	9	the	the	DET
eurjchem-2303	150	10	cell	cell	NOUN
eurjchem-2303	150	11	line	line	NOUN
eurjchem-2303	150	12	activity	activity	NOUN
eurjchem-2303	150	13	of	of	ADP
eurjchem-2303	150	14	the	the	DET
eurjchem-2303	150	15	title	title	NOUN
eurjchem-2303	150	16	compound	compound	NOUN
eurjchem-2303	150	17	using	use	VERB
eurjchem-2303	150	18	the	the	DET
eurjchem-2303	150	19	way2drug	way2drug	PROPN
eurjchem-2303	150	20	server	server	NOUN
eurjchem-2303	150	21	shows	show	VERB
eurjchem-2303	150	22	maximum	maximum	ADJ
eurjchem-2303	150	23	activity	activity	NOUN
eurjchem-2303	150	24	toward	toward	ADP
eurjchem-2303	150	25	the	the	DET
eurjchem-2303	150	26	mda	mda	PROPN
eurjchem-2303	150	27	-	-	PUNCT
eurjchem-2303	150	28	mb-453	mb-453	PROPN
eurjchem-2303	150	29	cell	cell	NOUN
eurjchem-2303	150	30	line	line	NOUN
eurjchem-2303	150	31	belonging	belong	VERB
eurjchem-2303	150	32	to	to	ADP
eurjchem-2303	150	33	breast	breast	NOUN
eurjchem-2303	150	34	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	150	35	(	(	PUNCT
eurjchem-2303	150	36	table	table	NOUN
eurjchem-2303	150	37	6	6	NUM
eurjchem-2303	150	38	)	)	PUNCT
eurjchem-2303	150	39	.	.	PUNCT
eurjchem-2303	151	1	the	the	DET
eurjchem-2303	151	2	2mba	2mba	NUM
eurjchem-2303	151	3	molecule	molecule	NOUN
eurjchem-2303	151	4	was	be	AUX
eurjchem-2303	151	5	analyzed	analyze	VERB
eurjchem-2303	151	6	for	for	ADP
eurjchem-2303	151	7	parp	parp	ADJ
eurjchem-2303	151	8	protein	protein	NOUN
eurjchem-2303	151	9	inhibition	inhibition	NOUN
eurjchem-2303	151	10	activity	activity	NOUN
eurjchem-2303	151	11	through	through	ADP
eurjchem-2303	151	12	molecular	molecular	ADJ
eurjchem-2303	151	13	docking	docking	NOUN
eurjchem-2303	151	14	;	;	PUNCT
eurjchem-2303	151	15	the	the	DET
eurjchem-2303	151	16	function	function	NOUN
eurjchem-2303	151	17	of	of	ADP
eurjchem-2303	151	18	the	the	DET
eurjchem-2303	151	19	parp	parp	ADJ
eurjchem-2303	151	20	protein	protein	NOUN
eurjchem-2303	151	21	was	be	AUX
eurjchem-2303	151	22	to	to	PART
eurjchem-2303	151	23	play	play	VERB
eurjchem-2303	151	24	an	an	DET
eurjchem-2303	151	25	important	important	ADJ
eurjchem-2303	151	26	role	role	NOUN
eurjchem-2303	151	27	in	in	ADP
eurjchem-2303	151	28	the	the	DET
eurjchem-2303	151	29	single	single	ADJ
eurjchem-2303	151	30	-	-	PUNCT
eurjchem-2303	151	31	strand	strand	ADJ
eurjchem-2303	151	32	dna	dna	PROPN
eurjchem-2303	151	33	repair	repair	NOUN
eurjchem-2303	151	34	mechanism	mechanism	NOUN
eurjchem-2303	151	35	,	,	PUNCT
eurjchem-2303	151	36	where	where	SCONJ
eurjchem-2303	151	37	it	it	PRON
eurjchem-2303	151	38	binds	bind	VERB
eurjchem-2303	151	39	with	with	ADP
eurjchem-2303	151	40	nad+	nad+	NOUN
eurjchem-2303	151	41	to	to	PART
eurjchem-2303	151	42	produce	produce	VERB
eurjchem-2303	151	43	adp	adp	PROPN
eurjchem-2303	151	44	-	-	PUNCT
eurjchem-2303	151	45	ribose	ribose	NOUN
eurjchem-2303	151	46	-	-	PUNCT
eurjchem-2303	151	47	monomers	monomer	NOUN
eurjchem-2303	151	48	.	.	PUNCT
eurjchem-2303	152	1	parp	parp	NOUN
eurjchem-2303	152	2	(	(	PUNCT
eurjchem-2303	152	3	poly	poly	ADJ
eurjchem-2303	152	4	adp	adp	PROPN
eurjchem-2303	152	5	ribose	ribose	ADJ
eurjchem-2303	152	6	polymerase	polymerase	NOUN
eurjchem-2303	152	7	)	)	PUNCT
eurjchem-2303	152	8	inhibitors	inhibitor	NOUN
eurjchem-2303	152	9	were	be	AUX
eurjchem-2303	152	10	an	an	DET
eurjchem-2303	152	11	important	important	ADJ
eurjchem-2303	152	12	class	class	NOUN
eurjchem-2303	152	13	of	of	ADP
eurjchem-2303	152	14	medications	medication	NOUN
eurjchem-2303	152	15	used	use	VERB
eurjchem-2303	152	16	in	in	ADP
eurjchem-2303	152	17	the	the	DET
eurjchem-2303	152	18	treatment	treatment	NOUN
eurjchem-2303	152	19	of	of	ADP
eurjchem-2303	152	20	advanced	advanced	ADJ
eurjchem-2303	152	21	or	or	CCONJ
eurjchem-2303	152	22	metastatic	metastatic	ADJ
eurjchem-2303	152	23	breast	breast	NOUN
eurjchem-2303	152	24	cancer	cancer	NOUN
eurjchem-2303	152	25	with	with	ADP
eurjchem-2303	152	26	individuals	individual	NOUN
eurjchem-2303	152	27	having	have	VERB
eurjchem-2303	152	28	her2	her2	PROPN
eurjchem-2303	152	29	-	-	PUNCT
eurjchem-2303	152	30	negative	negative	ADJ
eurjchem-2303	152	31	brca	brca	PROPN
eurjchem-2303	152	32	gene	gene	NOUN
eurjchem-2303	152	33	mutations	mutation	NOUN
eurjchem-2303	152	34	[	[	X
eurjchem-2303	152	35	40	40	NUM
eurjchem-2303	152	36	-	-	SYM
eurjchem-2303	152	37	42	42	NUM
eurjchem-2303	152	38	]	]	PUNCT
eurjchem-2303	152	39	.	.	PUNCT
eurjchem-2303	153	1	the	the	DET
eurjchem-2303	153	2	docking	docking	NOUN
eurjchem-2303	153	3	results	result	NOUN
eurjchem-2303	153	4	of	of	ADP
eurjchem-2303	153	5	2mba	2mba	NUM
eurjchem-2303	153	6	with	with	ADP
eurjchem-2303	153	7	the	the	DET
eurjchem-2303	153	8	parp	parp	ADJ
eurjchem-2303	153	9	protein	protein	NOUN
eurjchem-2303	153	10	exhibit	exhibit	VERB
eurjchem-2303	153	11	better	well	ADJ
eurjchem-2303	153	12	interactions	interaction	NOUN
eurjchem-2303	153	13	with	with	ADP
eurjchem-2303	153	14	the	the	DET
eurjchem-2303	153	15	catalytic	catalytic	ADJ
eurjchem-2303	153	16	site	site	NOUN
eurjchem-2303	153	17	residues	residue	NOUN
eurjchem-2303	153	18	of	of	ADP
eurjchem-2303	153	19	tankyrase-1	tankyrase-1	NUM
eurjchem-2303	153	20	and	and	CCONJ
eurjchem-2303	153	21	tankyrase-2	tankyrase-2	NUM
eurjchem-2303	153	22	.	.	PUNCT
eurjchem-2303	154	1	the	the	DET
eurjchem-2303	154	2	2mba/	2mba/	NUM
eurjchem-2303	154	3	tankyrase-2	tankyrase-2	NUM
eurjchem-2303	154	4	complex	complex	NOUN
eurjchem-2303	154	5	has	have	VERB
eurjchem-2303	154	6	a	a	DET
eurjchem-2303	154	7	binding	bind	VERB
eurjchem-2303	154	8	energy	energy	NOUN
eurjchem-2303	154	9	of	of	ADP
eurjchem-2303	154	10	-6.27	-6.27	PROPN
eurjchem-2303	154	11	kcal	kcal	PROPN
eurjchem-2303	154	12	/	/	SYM
eurjchem-2303	154	13	mol	mol	PROPN
eurjchem-2303	154	14	,	,	PUNCT
eurjchem-2303	154	15	which	which	PRON
eurjchem-2303	154	16	was	be	AUX
eurjchem-2303	154	17	the	the	DET
eurjchem-2303	154	18	least	least	ADV
eurjchem-2303	154	19	binding	binding	ADJ
eurjchem-2303	154	20	energy	energy	NOUN
eurjchem-2303	154	21	compared	compare	VERB
eurjchem-2303	154	22	to	to	ADP
eurjchem-2303	154	23	the	the	DET
eurjchem-2303	154	24	tankyrase1	tankyrase1	NOUN
eurjchem-2303	154	25	,	,	PUNCT
eurjchem-2303	154	26	parp-1	parp-1	NUM
eurjchem-2303	154	27	,	,	PUNCT
eurjchem-2303	154	28	and	and	CCONJ
eurjchem-2303	154	29	parp-2	parp-2	PROPN
eurjchem-2303	154	30	complexes	complex	NOUN
eurjchem-2303	154	31	.	.	PUNCT
eurjchem-2303	155	1	2mba	2mba	NUM
eurjchem-2303	155	2	have	have	VERB
eurjchem-2303	155	3	hydrogen	hydrogen	NOUN
eurjchem-2303	155	4	bonding	bonding	NOUN
eurjchem-2303	155	5	with	with	ADP
eurjchem-2303	155	6	one	one	NUM
eurjchem-2303	155	7	of	of	ADP
eurjchem-2303	155	8	the	the	DET
eurjchem-2303	155	9	catalytic	catalytic	ADJ
eurjchem-2303	155	10	residues	residue	NOUN
eurjchem-2303	155	11	tyr1060	tyr1060	NOUN
eurjchem-2303	155	12	and	and	CCONJ
eurjchem-2303	155	13	hydrophobic	hydrophobic	NOUN
eurjchem-2303	155	14	interaction	interaction	NOUN
eurjchem-2303	155	15	with	with	ADP
eurjchem-2303	155	16	the	the	DET
eurjchem-2303	155	17	other	other	ADJ
eurjchem-2303	155	18	two	two	NUM
eurjchem-2303	155	19	catalytic	catalytic	ADJ
eurjchem-2303	155	20	residues	residue	NOUN
eurjchem-2303	155	21	(	(	PUNCT
eurjchem-2303	155	22	his	his	PRON
eurjchem-2303	155	23	1031	1031	NUM
eurjchem-2303	155	24	,	,	PUNCT
eurjchem-2303	155	25	glu	glu	NOUN
eurjchem-2303	155	26	1138	1138	NUM
eurjchem-2303	155	27	)	)	PUNCT
eurjchem-2303	155	28	,	,	PUNCT
eurjchem-2303	155	29	and	and	CCONJ
eurjchem-2303	155	30	one	one	NUM
eurjchem-2303	155	31	π	π	NOUN
eurjchem-2303	155	32	-	-	PUNCT
eurjchem-2303	155	33	π	π	PROPN
eurjchem-2303	155	34	interaction	interaction	NOUN
eurjchem-2303	155	35	with	with	ADP
eurjchem-2303	155	36	the	the	DET
eurjchem-2303	155	37	ring	ring	NOUN
eurjchem-2303	155	38	of	of	ADP
eurjchem-2303	155	39	tyr	tyr	PROPN
eurjchem-2303	155	40	1071	1071	NUM
eurjchem-2303	155	41	of	of	ADP
eurjchem-2303	155	42	tankyrase-2	tankyrase-2	NUM
eurjchem-2303	155	43	protein	protein	NOUN
eurjchem-2303	155	44	.	.	PUNCT
eurjchem-2303	156	1	like	like	ADP
eurjchem-2303	156	2	tankyrase-2	tankyrase-2	PROPN
eurjchem-2303	156	3	,	,	PUNCT
eurjchem-2303	156	4	the	the	DET
eurjchem-2303	156	5	2mba	2mba	NUM
eurjchem-2303	156	6	has	have	VERB
eurjchem-2303	156	7	two	two	NUM
eurjchem-2303	156	8	hydrogen	hydrogen	NOUN
eurjchem-2303	156	9	bonds	bond	NOUN
eurjchem-2303	156	10	with	with	ADP
eurjchem-2303	156	11	catalytic	catalytic	ADJ
eurjchem-2303	156	12	residue	residue	NOUN
eurjchem-2303	156	13	tyr1213	tyr1213	NOUN
eurjchem-2303	156	14	,	,	PUNCT
eurjchem-2303	156	15	and	and	CCONJ
eurjchem-2303	156	16	the	the	DET
eurjchem-2303	156	17	other	other	ADJ
eurjchem-2303	156	18	hydrogen	hydrogen	NOUN
eurjchem-2303	156	19	bond	bond	NOUN
eurjchem-2303	156	20	interaction	interaction	NOUN
eurjchem-2303	156	21	is	be	AUX
eurjchem-2303	156	22	with	with	ADP
eurjchem-2303	156	23	residue	residue	NOUN
eurjchem-2303	156	24	gly	gly	NOUN
eurjchem-2303	156	25	1185	1185	NUM
eurjchem-2303	156	26	(	(	PUNCT
eurjchem-2303	156	27	figure	figure	NOUN
eurjchem-2303	156	28	9	9	NUM
eurjchem-2303	156	29	-	-	SYM
eurjchem-2303	156	30	11	11	NUM
eurjchem-2303	156	31	)	)	PUNCT
eurjchem-2303	156	32	.	.	PUNCT
eurjchem-2303	157	1	there	there	PRON
eurjchem-2303	157	2	is	be	VERB
eurjchem-2303	157	3	no	no	DET
eurjchem-2303	157	4	interaction	interaction	NOUN
eurjchem-2303	157	5	observed	observe	VERB
eurjchem-2303	157	6	with	with	ADP
eurjchem-2303	157	7	the	the	DET
eurjchem-2303	157	8	catalytic	catalytic	ADJ
eurjchem-2303	157	9	residues	residue	NOUN
eurjchem-2303	157	10	of	of	ADP
eurjchem-2303	157	11	parp-1	parp-1	NOUN
eurjchem-2303	157	12	protein	protein	NOUN
eurjchem-2303	157	13	and	and	CCONJ
eurjchem-2303	157	14	the	the	DET
eurjchem-2303	157	15	2mba	2mba	PROPN
eurjchem-2303	157	16	interacts	interact	VERB
eurjchem-2303	157	17	only	only	ADV
eurjchem-2303	157	18	through	through	ADP
eurjchem-2303	157	19	hydrophobic	hydrophobic	NOUN
eurjchem-2303	157	20	interaction	interaction	NOUN
eurjchem-2303	157	21	with	with	ADP
eurjchem-2303	157	22	two	two	NUM
eurjchem-2303	157	23	catalytic	catalytic	ADJ
eurjchem-2303	157	24	residues	residue	NOUN
eurjchem-2303	157	25	of	of	ADP
eurjchem-2303	157	26	parp-2	parp-2	PROPN
eurjchem-2303	157	27	protein	protein	NOUN
eurjchem-2303	157	28	(	(	PUNCT
eurjchem-2303	157	29	tables	table	NOUN
eurjchem-2303	157	30	7	7	NUM
eurjchem-2303	157	31	and	and	CCONJ
eurjchem-2303	157	32	8)	8)	NUM
eurjchem-2303	157	33	.	.	NOUN
eurjchem-2303	157	34	3.5	3.5	NUM
eurjchem-2303	157	35	.	.	PUNCT
eurjchem-2303	158	1	swiss	swiss	ADJ
eurjchem-2303	158	2	adme	adme	NOUN
eurjchem-2303	158	3	studies	study	VERB
eurjchem-2303	158	4	the	the	DET
eurjchem-2303	158	5	values	value	NOUN
eurjchem-2303	158	6	of	of	ADP
eurjchem-2303	158	7	physicochemical	physicochemical	ADJ
eurjchem-2303	158	8	properties	property	NOUN
eurjchem-2303	158	9	of	of	ADP
eurjchem-2303	158	10	2mba	2mba	NUM
eurjchem-2303	158	11	molecule	molecule	NOUN
eurjchem-2303	158	12	show	show	NOUN
eurjchem-2303	158	13	have	have	VERB
eurjchem-2303	158	14	a	a	DET
eurjchem-2303	158	15	polar	polar	ADJ
eurjchem-2303	158	16	surface	surface	NOUN
eurjchem-2303	158	17	area	area	NOUN
eurjchem-2303	158	18	of	of	ADP
eurjchem-2303	158	19	38.33	38.33	NUM
eurjchem-2303	158	20	å²	å²	NOUN
eurjchem-2303	158	21	with	with	ADP
eurjchem-2303	158	22	50.52	50.52	NUM
eurjchem-2303	158	23	refractive	refractive	ADJ
eurjchem-2303	158	24	indexes	index	NOUN
eurjchem-2303	158	25	and	and	CCONJ
eurjchem-2303	158	26	fraction	fraction	NOUN
eurjchem-2303	158	27	csp3	csp3	NOUN
eurjchem-2303	158	28	(	(	PUNCT
eurjchem-2303	158	29	table	table	NOUN
eurjchem-2303	158	30	9	9	NUM
eurjchem-2303	158	31	)	)	PUNCT
eurjchem-2303	158	32	.	.	PUNCT
eurjchem-2303	159	1	the	the	DET
eurjchem-2303	159	2	lipophilicity	lipophilicity	NOUN
eurjchem-2303	159	3	analysis	analysis	NOUN
eurjchem-2303	159	4	of	of	ADP
eurjchem-2303	159	5	the	the	DET
eurjchem-2303	159	6	2mba	2mba	NUM
eurjchem-2303	159	7	molecule	molecule	NOUN
eurjchem-2303	159	8	shows	show	VERB
eurjchem-2303	159	9	a	a	DET
eurjchem-2303	159	10	consensus	consensus	NOUN
eurjchem-2303	159	11	log	log	NOUN
eurjchem-2303	159	12	po	po	NOUN
eurjchem-2303	159	13	/	/	SYM
eurjchem-2303	159	14	w	w	NOUN
eurjchem-2303	159	15	value	value	NOUN
eurjchem-2303	159	16	of	of	ADP
eurjchem-2303	159	17	1.48	1.48	NUM
eurjchem-2303	159	18	which	which	PRON
eurjchem-2303	159	19	shows	show	VERB
eurjchem-2303	159	20	that	that	SCONJ
eurjchem-2303	159	21	it	it	PRON
eurjchem-2303	159	22	passes	pass	VERB
eurjchem-2303	159	23	one	one	NUM
eurjchem-2303	159	24	of	of	ADP
eurjchem-2303	159	25	the	the	DET
eurjchem-2303	159	26	important	important	ADJ
eurjchem-2303	159	27	admet	admet	NOUN
eurjchem-2303	159	28	properties	property	NOUN
eurjchem-2303	159	29	.	.	PUNCT
eurjchem-2303	160	1	the	the	DET
eurjchem-2303	160	2	three	three	NUM
eurjchem-2303	160	3	different	different	ADJ
eurjchem-2303	160	4	solubility	solubility	NOUN
eurjchem-2303	160	5	index	index	NOUN
eurjchem-2303	160	6	calculations	calculation	NOUN
eurjchem-2303	160	7	show	show	VERB
eurjchem-2303	160	8	a	a	DET
eurjchem-2303	160	9	moderate	moderate	ADJ
eurjchem-2303	160	10	solubility	solubility	NOUN
eurjchem-2303	160	11	character	character	NOUN
eurjchem-2303	160	12	in	in	ADP
eurjchem-2303	160	13	water	water	NOUN
eurjchem-2303	160	14	.	.	PUNCT
eurjchem-2303	161	1	the	the	DET
eurjchem-2303	161	2	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-2303	161	3	properties	property	NOUN
eurjchem-2303	161	4	of	of	ADP
eurjchem-2303	161	5	the	the	DET
eurjchem-2303	161	6	title	title	NOUN
eurjchem-2303	161	7	compound	compound	NOUN
eurjchem-2303	161	8	show	show	VERB
eurjchem-2303	161	9	high	high	ADJ
eurjchem-2303	161	10	gastrointestinal	gastrointestinal	ADJ
eurjchem-2303	161	11	absorption	absorption	NOUN
eurjchem-2303	161	12	with	with	ADP
eurjchem-2303	161	13	no	no	DET
eurjchem-2303	161	14	observed	observed	ADJ
eurjchem-2303	161	15	p	p	NOUN
eurjchem-2303	161	16	-	-	PUNCT
eurjchem-2303	161	17	glycoprotein	glycoprotein	NOUN
eurjchem-2303	161	18	binding	bind	VERB
eurjchem-2303	161	19	affinity	affinity	NOUN
eurjchem-2303	161	20	and	and	CCONJ
eurjchem-2303	161	21	the	the	DET
eurjchem-2303	161	22	blood	blood	NOUN
eurjchem-2303	161	23	-	-	PUNCT
eurjchem-2303	161	24	brain	brain	NOUN
eurjchem-2303	161	25	barrier	barrier	NOUN
eurjchem-2303	161	26	crossing	cross	VERB
eurjchem-2303	161	27	property	property	NOUN
eurjchem-2303	161	28	with	with	ADP
eurjchem-2303	161	29	all	all	DET
eurjchem-2303	161	30	cytochrome	cytochrome	NOUN
eurjchem-2303	161	31	p	p	NOUN
eurjchem-2303	161	32	isoform	isoform	NOUN
eurjchem-2303	161	33	inhibition	inhibition	NOUN
eurjchem-2303	161	34	properties	property	NOUN
eurjchem-2303	161	35	.	.	PUNCT
eurjchem-2303	162	1	the	the	DET
eurjchem-2303	162	2	amide	amide	NOUN
eurjchem-2303	162	3	2mba	2mba	PROPN
eurjchem-2303	162	4	shows	show	VERB
eurjchem-2303	162	5	no	no	DET
eurjchem-2303	162	6	violation	violation	NOUN
eurjchem-2303	162	7	against	against	ADP
eurjchem-2303	162	8	lipinski	lipinski	PROPN
eurjchem-2303	162	9	’s	’s	PART
eurjchem-2303	162	10	rule	rule	NOUN
eurjchem-2303	162	11	,	,	PUNCT
eurjchem-2303	162	12	gose	gose	PROPN
eurjchem-2303	162	13	rule	rule	NOUN
eurjchem-2303	162	14	,	,	PUNCT
eurjchem-2303	162	15	veber	veber	NOUN
eurjchem-2303	162	16	rule	rule	NOUN
eurjchem-2303	162	17	,	,	PUNCT
eurjchem-2303	162	18	egan	egan	PROPN
eurjchem-2303	162	19	,	,	PUNCT
eurjchem-2303	162	20	and	and	CCONJ
eurjchem-2303	162	21	muegge	muegge	PROPN
eurjchem-2303	162	22	rule	rule	NOUN
eurjchem-2303	162	23	,	,	PUNCT
eurjchem-2303	162	24	which	which	PRON
eurjchem-2303	162	25	indicated	indicate	VERB
eurjchem-2303	162	26	its	its	PRON
eurjchem-2303	162	27	good	good	ADJ
eurjchem-2303	162	28	drug	drug	NOUN
eurjchem-2303	162	29	likeliness	likeliness	NOUN
eurjchem-2303	162	30	properties	property	NOUN
eurjchem-2303	162	31	with	with	ADP
eurjchem-2303	162	32	a	a	DET
eurjchem-2303	162	33	bioavailability	bioavailability	NOUN
eurjchem-2303	162	34	score	score	NOUN
eurjchem-2303	162	35	of	of	ADP
eurjchem-2303	162	36	0.55	0.55	NUM
eurjchem-2303	162	37	[	[	X
eurjchem-2303	162	38	29	29	NUM
eurjchem-2303	162	39	]	]	PUNCT
eurjchem-2303	162	40	.	.	PUNCT
eurjchem-2303	163	1	murugan	murugan	PROPN
eurjchem-2303	163	2	et	et	PROPN
eurjchem-2303	163	3	al	al	PROPN
eurjchem-2303	163	4	.	.	PUNCT
eurjchem-2303	163	5	/	/	SYM
eurjchem-2303	163	6	european	european	PROPN
eurjchem-2303	163	7	journal	journal	PROPN
eurjchem-2303	163	8	of	of	ADP
eurjchem-2303	163	9	chemistry	chemistry	NOUN
eurjchem-2303	163	10	13	13	NUM
eurjchem-2303	163	11	(	(	PUNCT
eurjchem-2303	163	12	4	4	NUM
eurjchem-2303	163	13	)	)	PUNCT
eurjchem-2303	163	14	(	(	PUNCT
eurjchem-2303	163	15	2022	2022	NUM
eurjchem-2303	163	16	)	)	PUNCT
eurjchem-2303	163	17	440	440	NUM
eurjchem-2303	163	18	-	-	SYM
eurjchem-2303	163	19	450	450	NUM
eurjchem-2303	163	20	447	447	NUM
eurjchem-2303	163	21	2022	2022	NUM
eurjchem-2303	163	22	–	–	PUNCT
eurjchem-2303	163	23	european	european	ADJ
eurjchem-2303	163	24	journal	journal	NOUN
eurjchem-2303	163	25	of	of	ADP
eurjchem-2303	163	26	chemistry	chemistry	NOUN
eurjchem-2303	163	27	–	–	PUNCT
eurjchem-2303	163	28	cc	cc	NOUN
eurjchem-2303	163	29	by	by	ADP
eurjchem-2303	163	30	nc	nc	PROPN
eurjchem-2303	163	31	–	–	PUNCT
eurjchem-2303	163	32	doi	doi	PROPN
eurjchem-2303	163	33	:	:	PUNCT
eurjchem-2303	163	34	10.5155	10.5155	NUM
eurjchem-2303	163	35	/	/	SYM
eurjchem-2303	163	36	eurjchem.13.4.440	eurjchem.13.4.440	PRON
eurjchem-2303	163	37	-	-	SYM
eurjchem-2303	163	38	450.2303	450.2303	NUM
eurjchem-2303	163	39	table	table	NOUN
eurjchem-2303	163	40	6	6	NUM
eurjchem-2303	163	41	.	.	PUNCT
eurjchem-2303	164	1	2mba	2mba	NUM
eurjchem-2303	164	2	activity	activity	NOUN
eurjchem-2303	164	3	against	against	ADP
eurjchem-2303	164	4	the	the	DET
eurjchem-2303	164	5	cell	cell	NOUN
eurjchem-2303	164	6	lines	line	NOUN
eurjchem-2303	164	7	predicted	predict	VERB
eurjchem-2303	164	8	by	by	ADP
eurjchem-2303	164	9	the	the	DET
eurjchem-2303	164	10	way2drug	way2drug	PROPN
eurjchem-2303	164	11	server	server	NOUN
eurjchem-2303	164	12	.	.	PUNCT
eurjchem-2303	165	1	pa	pa	PROPN
eurjchem-2303	165	2	*	*	PROPN
eurjchem-2303	165	3	pi	pi	PROPN
eurjchem-2303	165	4	*	*	PROPN
eurjchem-2303	165	5	cell	cell	NOUN
eurjchem-2303	165	6	line	line	NOUN
eurjchem-2303	165	7	cell	cell	NOUN
eurjchem-2303	165	8	line	line	NOUN
eurjchem-2303	165	9	full	full	ADJ
eurjchem-2303	165	10	name	name	NOUN
eurjchem-2303	165	11	tissue	tissue	NOUN
eurjchem-2303	165	12	tumor	tumor	NOUN
eurjchem-2303	165	13	type	type	NOUN
eurjchem-2303	165	14	0.443	0.443	NUM
eurjchem-2303	165	15	0.034	0.034	NUM
eurjchem-2303	165	16	mda	mda	PROPN
eurjchem-2303	165	17	-	-	PUNCT
eurjchem-2303	165	18	mb-453	mb-453	PROPN
eurjchem-2303	165	19	breast	breast	NOUN
eurjchem-2303	165	20	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	165	21	breast	breast	NOUN
eurjchem-2303	165	22	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	165	23	0.372	0.372	NUM
eurjchem-2303	165	24	0.087	0.087	NUM
eurjchem-2303	165	25	nalm-6	nalm-6	NUM
eurjchem-2303	165	26	adult	adult	NOUN
eurjchem-2303	165	27	b	b	PROPN
eurjchem-2303	165	28	acute	acute	ADJ
eurjchem-2303	165	29	lymphoblastic	lymphoblastic	ADJ
eurjchem-2303	165	30	leukemia	leukemia	NOUN
eurjchem-2303	165	31	hematopoietic	hematopoietic	ADJ
eurjchem-2303	165	32	and	and	CCONJ
eurjchem-2303	165	33	lymphoid	lymphoid	ADJ
eurjchem-2303	165	34	tissue	tissue	NOUN
eurjchem-2303	165	35	leukemia	leukemia	NOUN
eurjchem-2303	165	36	0.341	0.341	NUM
eurjchem-2303	165	37	0.079	0.079	NUM
eurjchem-2303	165	38	u-266	u-266	NOUN
eurjchem-2303	165	39	plasma	plasma	NOUN
eurjchem-2303	165	40	cell	cell	NOUN
eurjchem-2303	165	41	myeloma	myeloma	NOUN
eurjchem-2303	165	42	blood	blood	NOUN
eurjchem-2303	165	43	myeloma	myeloma	NOUN
eurjchem-2303	165	44	0.378	0.378	NUM
eurjchem-2303	165	45	0.135	0.135	NUM
eurjchem-2303	165	46	hs	hs	PROPN
eurjchem-2303	165	47	683	683	NUM
eurjchem-2303	165	48	oligodendroglioma	oligodendroglioma	ADJ
eurjchem-2303	165	49	brain	brain	NOUN
eurjchem-2303	165	50	glioma	glioma	NOUN
eurjchem-2303	165	51	0.332	0.332	NUM
eurjchem-2303	165	52	0.104	0.104	NUM
eurjchem-2303	165	53	cfpac-1	cfpac-1	NUM
eurjchem-2303	165	54	pancreatic	pancreatic	ADJ
eurjchem-2303	165	55	carcinoma	carcinoma	NOUN
eurjchem-2303	165	56	pancreas	pancrea	NOUN
eurjchem-2303	165	57	carcinoma	carcinoma	VERB
eurjchem-2303	165	58	0.258	0.258	NUM
eurjchem-2303	165	59	0.085	0.085	NUM
eurjchem-2303	165	60	ls174	ls174	PROPN
eurjchem-2303	165	61	t	t	NOUN
eurjchem-2303	165	62	colon	colon	NOUN
eurjchem-2303	165	63	adeno	adeno	NOUN
eurjchem-2303	165	64	carcinoma	carcinoma	NOUN
eurjchem-2303	165	65	colon	colon	NOUN
eurjchem-2303	165	66	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	165	67	0.260	0.260	NUM
eurjchem-2303	165	68	0.092	0.092	NUM
eurjchem-2303	165	69	mkn-7	mkn-7	ADV
eurjchem-2303	165	70	gastric	gastric	ADJ
eurjchem-2303	165	71	carcinoma	carcinoma	NOUN
eurjchem-2303	165	72	stomach	stomach	NOUN
eurjchem-2303	165	73	carcinoma	carcinoma	NOUN
eurjchem-2303	165	74	0.179	0.179	NUM
eurjchem-2303	165	75	0.021	0.021	NUM
eurjchem-2303	165	76	u2os	u2os	X
eurjchem-2303	165	77	osteosarcoma	osteosarcoma	ADJ
eurjchem-2303	165	78	bone	bone	NOUN
eurjchem-2303	165	79	sarcoma	sarcoma	NOUN
eurjchem-2303	165	80	0.245	0.245	NUM
eurjchem-2303	165	81	0.087	0.087	NUM
eurjchem-2303	165	82	ccrf	ccrf	ADJ
eurjchem-2303	165	83	-	-	PUNCT
eurjchem-2303	165	84	cem	cem	NOUN
eurjchem-2303	165	85	childhood	childhood	NOUN
eurjchem-2303	165	86	t	t	PROPN
eurjchem-2303	165	87	acute	acute	NOUN
eurjchem-2303	165	88	lymphoblastic	lymphoblastic	ADJ
eurjchem-2303	165	89	leukemia	leukemia	NOUN
eurjchem-2303	165	90	blood	blood	NOUN
eurjchem-2303	165	91	leukemia	leukemia	NOUN
eurjchem-2303	165	92	0.263	0.263	NUM
eurjchem-2303	165	93	0.136	0.136	NUM
eurjchem-2303	165	94	hos	hos	ADJ
eurjchem-2303	165	95	osteosarcoma	osteosarcoma	ADJ
eurjchem-2303	165	96	bone	bone	NOUN
eurjchem-2303	165	97	sarcoma	sarcoma	NOUN
eurjchem-2303	165	98	0.248	0.248	NUM
eurjchem-2303	165	99	0.123	0.123	NUM
eurjchem-2303	165	100	hop-18	hop-18	NUM
eurjchem-2303	165	101	non	non	ADJ
eurjchem-2303	165	102	-	-	ADJ
eurjchem-2303	165	103	small	small	ADJ
eurjchem-2303	165	104	cell	cell	NOUN
eurjchem-2303	165	105	lung	lung	NOUN
eurjchem-2303	165	106	carcinoma	carcinoma	NOUN
eurjchem-2303	165	107	lung	lung	NOUN
eurjchem-2303	165	108	carcinoma	carcinoma	NOUN
eurjchem-2303	165	109	0.158	0.158	NUM
eurjchem-2303	165	110	0.035	0.035	NUM
eurjchem-2303	165	111	sk	sk	PROPN
eurjchem-2303	165	112	-	-	PUNCT
eurjchem-2303	165	113	br-3	br-3	NOUN
eurjchem-2303	165	114	breast	breast	PROPN
eurjchem-2303	165	115	adenocarcinoma	adenocarcinoma	PROPN
eurjchem-2303	165	116	breast	breast	PROPN
eurjchem-2303	165	117	adenocarcinoma	adenocarcinoma	PROPN
eurjchem-2303	165	118	0.249	0.249	NUM
eurjchem-2303	165	119	0.128	0.128	NUM
eurjchem-2303	165	120	nci	nci	PROPN
eurjchem-2303	165	121	-	-	PUNCT
eurjchem-2303	165	122	h1299	h1299	CCONJ
eurjchem-2303	165	123	non	non	ADJ
eurjchem-2303	165	124	-	-	ADJ
eurjchem-2303	165	125	small	small	ADJ
eurjchem-2303	165	126	cell	cell	NOUN
eurjchem-2303	165	127	lung	lung	NOUN
eurjchem-2303	165	128	carcinoma	carcinoma	NOUN
eurjchem-2303	165	129	lung	lung	NOUN
eurjchem-2303	165	130	carcinoma	carcinoma	NOUN
eurjchem-2303	165	131	0.198	0.198	NUM
eurjchem-2303	165	132	0.077	0.077	NUM
eurjchem-2303	165	133	ovarian	ovarian	ADJ
eurjchem-2303	165	134	carcinoma	carcinoma	NOUN
eurjchem-2303	165	135	cells	cell	NOUN
eurjchem-2303	165	136	ovarian	ovarian	ADJ
eurjchem-2303	165	137	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	165	138	ovarium	ovarium	PROPN
eurjchem-2303	165	139	adenocarcinoma	adenocarcinoma	PROPN
eurjchem-2303	165	140	0.109	0.109	NUM
eurjchem-2303	165	141	0.017	0.017	NUM
eurjchem-2303	165	142	molt-3	molt-3	NUM
eurjchem-2303	165	143	t	t	NOUN
eurjchem-2303	165	144	-	-	PUNCT
eurjchem-2303	165	145	lymphoblastic	lymphoblastic	ADJ
eurjchem-2303	165	146	leukemia	leukemia	NOUN
eurjchem-2303	165	147	blood	blood	NOUN
eurjchem-2303	165	148	leukemia	leukemia	NOUN
eurjchem-2303	165	149	0.133	0.133	NUM
eurjchem-2303	165	150	0.044	0.044	NUM
eurjchem-2303	165	151	d54	d54	NOUN
eurjchem-2303	165	152	glioblastoma	glioblastoma	NOUN
eurjchem-2303	165	153	brain	brain	NOUN
eurjchem-2303	165	154	glioblastoma	glioblastoma	NOUN
eurjchem-2303	165	155	0.091	0.091	NUM
eurjchem-2303	165	156	0.020	0.020	NUM
eurjchem-2303	165	157	jam	jam	NOUN
eurjchem-2303	165	158	ovarian	ovarian	ADJ
eurjchem-2303	165	159	cystadenocarcinoma	cystadenocarcinoma	NOUN
eurjchem-2303	165	160	ovarium	ovarium	ADJ
eurjchem-2303	165	161	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	165	162	0.157	0.157	NUM
eurjchem-2303	165	163	0.090	0.090	NUM
eurjchem-2303	165	164	jurkat	jurkat	PROPN
eurjchem-2303	165	165	acute	acute	ADJ
eurjchem-2303	165	166	leukemic	leukemic	PROPN
eurjchem-2303	165	167	t	t	PROPN
eurjchem-2303	165	168	-	-	PUNCT
eurjchem-2303	165	169	cells	cell	NOUN
eurjchem-2303	165	170	blood	blood	NOUN
eurjchem-2303	165	171	leukemia	leukemia	NOUN
eurjchem-2303	165	172	0.095	0.095	NUM
eurjchem-2303	165	173	0.028	0.028	NUM
eurjchem-2303	165	174	ketr3	ketr3	PROPN
eurjchem-2303	166	1	renal	renal	ADJ
eurjchem-2303	166	2	carcinoma	carcinoma	NOUN
eurjchem-2303	166	3	kidney	kidney	NOUN
eurjchem-2303	166	4	carcinoma	carcinoma	NOUN
eurjchem-2303	166	5	0.086	0.086	NUM
eurjchem-2303	166	6	0.020	0.020	NUM
eurjchem-2303	166	7	do4	do4	VERB
eurjchem-2303	166	8	melanoma	melanoma	NOUN
eurjchem-2303	166	9	skin	skin	NOUN
eurjchem-2303	166	10	melanoma	melanoma	NOUN
eurjchem-2303	166	11	0.136	0.136	NUM
eurjchem-2303	166	12	0.074	0.074	NUM
eurjchem-2303	166	13	sh	sh	AUX
eurjchem-2303	166	14	-	-	PUNCT
eurjchem-2303	166	15	sy5y	sy5y	PROPN
eurjchem-2303	166	16	bone	bone	NOUN
eurjchem-2303	166	17	marrow	marrow	NOUN
eurjchem-2303	166	18	neuroblastoma	neuroblastoma	ADJ
eurjchem-2303	166	19	brain	brain	NOUN
eurjchem-2303	166	20	neuroblastoma	neuroblastoma	NOUN
eurjchem-2303	166	21	0.211	0.211	NUM
eurjchem-2303	166	22	0.153	0.153	NUM
eurjchem-2303	166	23	nci	nci	PROPN
eurjchem-2303	166	24	-	-	PUNCT
eurjchem-2303	166	25	h69	h69	PROPN
eurjchem-2303	166	26	small	small	ADJ
eurjchem-2303	166	27	cell	cell	NOUN
eurjchem-2303	166	28	lung	lung	NOUN
eurjchem-2303	166	29	carcinoma	carcinoma	NOUN
eurjchem-2303	166	30	lung	lung	NOUN
eurjchem-2303	166	31	carcinoma	carcinoma	NOUN
eurjchem-2303	166	32	0.120	0.120	NUM
eurjchem-2303	166	33	0.062	0.062	NUM
eurjchem-2303	166	34	nsclc	nsclc	NOUN
eurjchem-2303	166	35	non	non	ADJ
eurjchem-2303	166	36	-	-	ADJ
eurjchem-2303	166	37	small	small	ADJ
eurjchem-2303	166	38	cell	cell	NOUN
eurjchem-2303	166	39	lung	lung	NOUN
eurjchem-2303	166	40	carcinoma	carcinoma	NOUN
eurjchem-2303	166	41	lung	lung	NOUN
eurjchem-2303	166	42	carcinoma	carcinoma	NOUN
eurjchem-2303	166	43	0.064	0.064	NUM
eurjchem-2303	166	44	0.020	0.020	NUM
eurjchem-2303	166	45	umuc3	umuc3	ADJ
eurjchem-2303	166	46	bladder	bladder	NOUN
eurjchem-2303	166	47	carcinoma	carcinoma	NOUN
eurjchem-2303	166	48	urinary	urinary	ADJ
eurjchem-2303	166	49	tract	tract	NOUN
eurjchem-2303	166	50	carcinoma	carcinoma	NOUN
eurjchem-2303	166	51	0.233	0.233	NUM
eurjchem-2303	166	52	0.195	0.195	NUM
eurjchem-2303	166	53	mcf7	mcf7	NOUN
eurjchem-2303	166	54	breast	breast	NOUN
eurjchem-2303	166	55	carcinoma	carcinoma	NOUN
eurjchem-2303	166	56	breast	breast	NOUN
eurjchem-2303	166	57	carcinoma	carcinoma	NOUN
eurjchem-2303	167	1	0.223	0.223	NUM
eurjchem-2303	167	2	0.187	0.187	NUM
eurjchem-2303	167	3	hs-578	hs-578	PROPN
eurjchem-2303	167	4	t	t	X
eurjchem-2303	167	5	invasive	invasive	ADJ
eurjchem-2303	167	6	ductal	ductal	ADJ
eurjchem-2303	167	7	breast	breast	NOUN
eurjchem-2303	167	8	carcinoma	carcinoma	NOUN
eurjchem-2303	167	9	breast	breast	NOUN
eurjchem-2303	167	10	carcinoma	carcinoma	NOUN
eurjchem-2303	167	11	0.128	0.128	NUM
eurjchem-2303	167	12	0.094	0.094	NUM
eurjchem-2303	167	13	lxfl	lxfl	NOUN
eurjchem-2303	167	14	529	529	NUM
eurjchem-2303	167	15	non	non	ADJ
eurjchem-2303	167	16	-	-	ADJ
eurjchem-2303	167	17	small	small	ADJ
eurjchem-2303	167	18	cell	cell	NOUN
eurjchem-2303	167	19	lung	lung	NOUN
eurjchem-2303	167	20	carcinoma	carcinoma	NOUN
eurjchem-2303	167	21	lung	lung	NOUN
eurjchem-2303	167	22	carcinoma	carcinoma	NOUN
eurjchem-2303	167	23	0.057	0.057	NUM
eurjchem-2303	167	24	0.028	0.028	NUM
eurjchem-2303	167	25	cem	cem	VERB
eurjchem-2303	167	26	-	-	PUNCT
eurjchem-2303	167	27	ss	ss	NOUN
eurjchem-2303	167	28	childhood	childhood	NOUN
eurjchem-2303	167	29	t	t	PROPN
eurjchem-2303	167	30	acute	acute	PROPN
eurjchem-2303	167	31	lymphoblastic	lymphoblastic	ADJ
eurjchem-2303	167	32	leukemia	leukemia	NOUN
eurjchem-2303	167	33	blood	blood	NOUN
eurjchem-2303	167	34	leukemia	leukemia	NOUN
eurjchem-2303	167	35	0.027	0.027	NUM
eurjchem-2303	167	36	0.005	0.005	NUM
eurjchem-2303	167	37	nt2	nt2	ADJ
eurjchem-2303	167	38	embryonal	embryonal	ADJ
eurjchem-2303	167	39	carcinoma	carcinoma	NOUN
eurjchem-2303	167	40	germ	germ	NOUN
eurjchem-2303	167	41	cell	cell	NOUN
eurjchem-2303	167	42	.	.	PUNCT
eurjchem-2303	168	1	fibroblast	fibroblast	ADJ
eurjchem-2303	168	2	carcinoma	carcinoma	NOUN
eurjchem-2303	168	3	0.063	0.063	NUM
eurjchem-2303	168	4	0.050	0.050	NUM
eurjchem-2303	168	5	sw1353	sw1353	NOUN
eurjchem-2303	168	6	bone	bone	NOUN
eurjchem-2303	168	7	chondrosarcoma	chondrosarcoma	NOUN
eurjchem-2303	168	8	bone	bone	NOUN
eurjchem-2303	168	9	sarcoma	sarcoma	NOUN
eurjchem-2303	168	10	0.052	0.052	NUM
eurjchem-2303	168	11	0.039	0.039	NUM
eurjchem-2303	168	12	tcc	tcc	NUM
eurjchem-2303	168	13	-	-	PUNCT
eurjchem-2303	168	14	sup	sup	NOUN
eurjchem-2303	168	15	bladder	bladder	NOUN
eurjchem-2303	168	16	carcinoma	carcinoma	NOUN
eurjchem-2303	168	17	urinary	urinary	ADJ
eurjchem-2303	168	18	tract	tract	NOUN
eurjchem-2303	168	19	carcinoma	carcinoma	NOUN
eurjchem-2303	168	20	0.101	0.101	NUM
eurjchem-2303	168	21	0.089	0.089	NUM
eurjchem-2303	168	22	mewo	mewo	NOUN
eurjchem-2303	168	23	melanoma	melanoma	NOUN
eurjchem-2303	168	24	skin	skin	NOUN
eurjchem-2303	168	25	melanoma	melanoma	NOUN
eurjchem-2303	168	26	0.081	0.081	NUM
eurjchem-2303	168	27	0.075	0.075	NUM
eurjchem-2303	168	28	dan	dan	PROPN
eurjchem-2303	168	29	-	-	PUNCT
eurjchem-2303	168	30	g	g	PROPN
eurjchem-2303	168	31	human	human	PROPN
eurjchem-2303	168	32	pancreas	pancreas	PROPN
eurjchem-2303	168	33	adenocarcinoma	adenocarcinoma	PROPN
eurjchem-2303	168	34	cell	cell	NOUN
eurjchem-2303	168	35	line	line	NOUN
eurjchem-2303	168	36	pancreas	pancrea	NOUN
eurjchem-2303	168	37	adenocarcinoma	adenocarcinoma	PROPN
eurjchem-2303	168	38	0.056	0.056	NUM
eurjchem-2303	168	39	0.050	0.050	NUM
eurjchem-2303	168	40	umscc22b	umscc22b	ADJ
eurjchem-2303	168	41	hypopharyngeal	hypopharyngeal	NOUN
eurjchem-2303	168	42	squamous	squamous	ADJ
eurjchem-2303	168	43	cell	cell	NOUN
eurjchem-2303	168	44	carcinoma	carcinoma	NOUN
eurjchem-2303	168	45	upper	upper	ADJ
eurjchem-2303	168	46	aerodigestive	aerodigestive	ADJ
eurjchem-2303	168	47	tract	tract	NOUN
eurjchem-2303	168	48	carcinoma	carcinoma	NOUN
eurjchem-2303	168	49	0.138	0.138	NUM
eurjchem-2303	168	50	0.133	0.133	NUM
eurjchem-2303	168	51	maxf401	maxf401	PROPN
eurjchem-2303	168	52	breast	breast	NOUN
eurjchem-2303	168	53	carcinoma	carcinoma	NOUN
eurjchem-2303	168	54	breast	breast	NOUN
eurjchem-2303	168	55	carcinoma	carcinoma	NOUN
eurjchem-2303	168	56	0.176	0.176	NUM
eurjchem-2303	168	57	0.171	0.171	NUM
eurjchem-2303	168	58	m19	m19	PROPN
eurjchem-2303	168	59	-	-	PUNCT
eurjchem-2303	168	60	mel	mel	NOUN
eurjchem-2303	168	61	melanoma	melanoma	PROPN
eurjchem-2303	168	62	skin	skin	NOUN
eurjchem-2303	168	63	melanoma	melanoma	NOUN
eurjchem-2303	168	64	0.030	0.030	NUM
eurjchem-2303	168	65	0.026	0.026	NUM
eurjchem-2303	168	66	be	be	PROPN
eurjchem-2303	168	67	-	-	PUNCT
eurjchem-2303	168	68	nq	nq	ADP
eurjchem-2303	168	69	colon	colon	NOUN
eurjchem-2303	168	70	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	168	71	colon	colon	NOUN
eurjchem-2303	168	72	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2303	168	73	0.024	0.024	NUM
eurjchem-2303	168	74	0.023	0.023	NUM
eurjchem-2303	168	75	c180	c180	PROPN
eurjchem-2303	168	76	-	-	PUNCT
eurjchem-2303	168	77	13s	13s	ADJ
eurjchem-2303	168	78	ovarian	ovarian	ADJ
eurjchem-2303	168	79	carcinoma	carcinoma	NOUN
eurjchem-2303	168	80	ovarium	ovarium	ADJ
eurjchem-2303	168	81	carcinoma	carcinoma	NOUN
eurjchem-2303	168	82	0.207	0.207	NUM
eurjchem-2303	168	83	0.206	0.206	NUM
eurjchem-2303	168	84	pc-6	pc-6	NOUN
eurjchem-2303	168	85	small	small	ADJ
eurjchem-2303	168	86	cell	cell	NOUN
eurjchem-2303	168	87	lung	lung	NOUN
eurjchem-2303	168	88	carcinoma	carcinoma	NOUN
eurjchem-2303	168	89	lung	lung	NOUN
eurjchem-2303	168	90	carcinoma	carcinoma	NOUN
eurjchem-2303	168	91	table	table	NOUN
eurjchem-2303	168	92	7	7	NUM
eurjchem-2303	168	93	.	.	PUNCT
eurjchem-2303	168	94	protein	protein	NOUN
eurjchem-2303	168	95	target	target	NOUN
eurjchem-2303	168	96	details	detail	NOUN
eurjchem-2303	168	97	,	,	PUNCT
eurjchem-2303	168	98	grid	grid	NOUN
eurjchem-2303	168	99	box	box	NOUN
eurjchem-2303	168	100	parameters	parameter	NOUN
eurjchem-2303	168	101	and	and	CCONJ
eurjchem-2303	168	102	molecular	molecular	ADJ
eurjchem-2303	168	103	docking	docking	NOUN
eurjchem-2303	168	104	results	result	NOUN
eurjchem-2303	168	105	.	.	PUNCT
eurjchem-2303	169	1	pdb	pdb	PROPN
eurjchem-2303	170	1	i	i	NOUN
eurjchem-2303	170	2	d	d	PROPN
eurjchem-2303	170	3	name	name	PROPN
eurjchem-2303	170	4	grid	grid	PROPN
eurjchem-2303	170	5	box	box	PROPN
eurjchem-2303	170	6	coordinates	coordinate	NOUN
eurjchem-2303	170	7	(	(	PUNCT
eurjchem-2303	170	8	x	x	X
eurjchem-2303	170	9	,	,	PUNCT
eurjchem-2303	170	10	y	y	PROPN
eurjchem-2303	170	11	,	,	PUNCT
eurjchem-2303	170	12	z	z	NOUN
eurjchem-2303	170	13	)	)	PUNCT
eurjchem-2303	170	14	grid	grid	NOUN
eurjchem-2303	170	15	box	box	NOUN
eurjchem-2303	170	16	size	size	NOUN
eurjchem-2303	170	17	(	(	PUNCT
eurjchem-2303	170	18	x	x	X
eurjchem-2303	170	19	,	,	PUNCT
eurjchem-2303	170	20	y	y	PROPN
eurjchem-2303	170	21	,	,	PUNCT
eurjchem-2303	170	22	z	z	NOUN
eurjchem-2303	170	23	)	)	PUNCT
eurjchem-2303	170	24	binding	bind	VERB
eurjchem-2303	170	25	energy	energy	NOUN
eurjchem-2303	170	26	(	(	PUNCT
eurjchem-2303	170	27	kcal	kcal	NOUN
eurjchem-2303	170	28	/	/	SYM
eurjchem-2303	170	29	mol	mol	NOUN
eurjchem-2303	170	30	)	)	PUNCT
eurjchem-2303	170	31	inhibition	inhibition	NOUN
eurjchem-2303	170	32	constant	constant	ADJ
eurjchem-2303	170	33	(	(	PUNCT
eurjchem-2303	170	34	μm	μm	NOUN
eurjchem-2303	170	35	)	)	PUNCT
eurjchem-2303	170	36	intermolecular	intermolecular	ADJ
eurjchem-2303	170	37	energy	energy	NOUN
eurjchem-2303	170	38	(	(	PUNCT
eurjchem-2303	170	39	kcal	kcal	NOUN
eurjchem-2303	170	40	/	/	SYM
eurjchem-2303	170	41	mol	mol	PROPN
eurjchem-2303	170	42	)	)	PUNCT
eurjchem-2303	170	43	vdw	vdw	PROPN
eurjchem-2303	170	44	desolv	desolv	NOUN
eurjchem-2303	170	45	.	.	PUNCT
eurjchem-2303	171	1	energy	energy	NOUN
eurjchem-2303	171	2	(	(	PUNCT
eurjchem-2303	171	3	kcal	kcal	PROPN
eurjchem-2303	171	4	/	/	SYM
eurjchem-2303	171	5	mol	mol	PROPN
eurjchem-2303	171	6	)	)	PUNCT
eurjchem-2303	171	7	3kr7	3kr7	NUM
eurjchem-2303	172	1	tankyrase-2	tankyrase-2	NUM
eurjchem-2303	172	2	9.736	9.736	NUM
eurjchem-2303	172	3	,	,	PUNCT
eurjchem-2303	172	4	3.712	3.712	NUM
eurjchem-2303	172	5	,	,	PUNCT
eurjchem-2303	172	6	12.826	12.826	NUM
eurjchem-2303	172	7	22	22	NUM
eurjchem-2303	172	8	,	,	PUNCT
eurjchem-2303	172	9	40	40	NUM
eurjchem-2303	172	10	,	,	PUNCT
eurjchem-2303	172	11	42	42	NUM
eurjchem-2303	172	12	-6.27	-6.27	PROPN
eurjchem-2303	172	13	25.27	25.27	NUM
eurjchem-2303	172	14	-7.17	-7.17	PROPN
eurjchem-2303	172	15	-7.12	-7.12	NUM
eurjchem-2303	172	16	7kkm	7kkm	PROPN
eurjchem-2303	172	17	tankyrase-1	tankyrase-1	NUM
eurjchem-2303	172	18	1.207	1.207	NUM
eurjchem-2303	172	19	,	,	PUNCT
eurjchem-2303	172	20	8.131	8.131	NUM
eurjchem-2303	172	21	,	,	PUNCT
eurjchem-2303	172	22	19.136	19.136	NUM
eurjchem-2303	172	23	40	40	NUM
eurjchem-2303	172	24	,	,	PUNCT
eurjchem-2303	172	25	44	44	NUM
eurjchem-2303	172	26	,	,	PUNCT
eurjchem-2303	172	27	36	36	NUM
eurjchem-2303	172	28	-5.99	-5.99	NUM
eurjchem-2303	172	29	40.88	40.88	NUM
eurjchem-2303	172	30	-6.88	-6.88	NUM
eurjchem-2303	172	31	-6.81	-6.81	NOUN
eurjchem-2303	172	32	7kk2	7kk2	NUM
eurjchem-2303	172	33	parp-1	parp-1	NUM
eurjchem-2303	172	34	-6.923	-6.923	NOUN
eurjchem-2303	172	35	,	,	PUNCT
eurjchem-2303	172	36	3.070	3.070	NUM
eurjchem-2303	172	37	,	,	PUNCT
eurjchem-2303	172	38	9.444	9.444	NUM
eurjchem-2303	172	39	50	50	NUM
eurjchem-2303	172	40	,	,	PUNCT
eurjchem-2303	172	41	40	40	NUM
eurjchem-2303	172	42	,	,	PUNCT
eurjchem-2303	172	43	50	50	NUM
eurjchem-2303	172	44	-5.67	-5.67	NUM
eurjchem-2303	172	45	69.76	69.76	NUM
eurjchem-2303	172	46	-6.57	-6.57	DET
eurjchem-2303	172	47	-6.24	-6.24	NUM
eurjchem-2303	172	48	4tvj	4tvj	NOUN
eurjchem-2303	172	49	parp-2	parp-2	PROPN
eurjchem-2303	172	50	20.389	20.389	NUM
eurjchem-2303	172	51	,	,	PUNCT
eurjchem-2303	172	52	0.872	0.872	NUM
eurjchem-2303	172	53	,	,	PUNCT
eurjchem-2303	172	54	22.411	22.411	NUM
eurjchem-2303	172	55	58	58	NUM
eurjchem-2303	172	56	,	,	PUNCT
eurjchem-2303	172	57	32	32	NUM
eurjchem-2303	172	58	,	,	PUNCT
eurjchem-2303	172	59	40	40	NUM
eurjchem-2303	172	60	-5.19	-5.19	NUM
eurjchem-2303	172	61	155.61	155.61	NUM
eurjchem-2303	172	62	-6.09	-6.09	VERB
eurjchem-2303	172	63	-6.01	-6.01	PRON
eurjchem-2303	172	64	table	table	NOUN
eurjchem-2303	172	65	8	8	NUM
eurjchem-2303	172	66	.	.	PUNCT
eurjchem-2303	173	1	information	information	NOUN
eurjchem-2303	173	2	about	about	ADP
eurjchem-2303	173	3	the	the	DET
eurjchem-2303	173	4	hydrogen	hydrogen	NOUN
eurjchem-2303	173	5	,	,	PUNCT
eurjchem-2303	173	6	hydrophobic	hydrophobic	NOUN
eurjchem-2303	173	7	interaction	interaction	NOUN
eurjchem-2303	173	8	,	,	PUNCT
eurjchem-2303	173	9	and	and	CCONJ
eurjchem-2303	173	10	pi	pi	NOUN
eurjchem-2303	173	11	-	-	PUNCT
eurjchem-2303	173	12	pi	pi	NOUN
eurjchem-2303	173	13	interaction	interaction	NOUN
eurjchem-2303	173	14	.	.	PUNCT
eurjchem-2303	174	1	name	name	NOUN
eurjchem-2303	174	2	hydrogen	hydrogen	NOUN
eurjchem-2303	174	3	bonds	bond	NOUN
eurjchem-2303	174	4	hydrophobic	hydrophobic	NOUN
eurjchem-2303	174	5	interaction	interaction	NOUN
eurjchem-2303	174	6	pi	pi	ADJ
eurjchem-2303	174	7	-	-	PUNCT
eurjchem-2303	174	8	pi	pi	NOUN
eurjchem-2303	174	9	interaction	interaction	NOUN
eurjchem-2303	174	10	tankyrase-2	tankyrase-2	PUNCT
eurjchem-2303	174	11	tyr	tyr	PROPN
eurjchem-2303	174	12	1060	1060	NUM
eurjchem-2303	174	13	lys1067	lys1067	NOUN
eurjchem-2303	174	14	,	,	PUNCT
eurjchem-2303	174	15	his1048	his1048	NOUN
eurjchem-2303	174	16	,	,	PUNCT
eurjchem-2303	174	17	phe1030	phe1030	NOUN
eurjchem-2303	174	18	,	,	PUNCT
eurjchem-2303	174	19	glu1138	glu1138	NOUN
eurjchem-2303	174	20	,	,	PUNCT
eurjchem-2303	174	21	gly1032	gly1032	NOUN
eurjchem-2303	174	22	,	,	PUNCT
eurjchem-2303	174	23	ser1068	ser1068	PROPN
eurjchem-2303	174	24	,	,	PUNCT
eurjchem-2303	174	25	phe1061	phe1061	PROPN
eurjchem-2303	174	26	,	,	PUNCT
eurjchem-2303	174	27	ala1062	ala1062	ADV
eurjchem-2303	174	28	,	,	PUNCT
eurjchem-2303	174	29	tyr1060	tyr1060	NOUN
eurjchem-2303	174	30	,	,	PUNCT
eurjchem-2303	174	31	his1031	his1031	NOUN
eurjchem-2303	174	32	,	,	PUNCT
eurjchem-2303	174	33	gly1058	gly1058	NOUN
eurjchem-2303	174	34	tyr1071	tyr1071	NOUN
eurjchem-2303	174	35	tankyrase-1	tankyrase-1	PROPN
eurjchem-2303	174	36	tyr	tyr	PROPN
eurjchem-2303	174	37	1213	1213	NUM
eurjchem-2303	174	38	,	,	PUNCT
eurjchem-2303	174	39	gly	gly	NOUN
eurjchem-2303	174	40	1185	1185	NUM
eurjchem-2303	174	41	lys1220	lys1220	NOUN
eurjchem-2303	174	42	,	,	PUNCT
eurjchem-2303	174	43	glu1291	glu1291	ADJ
eurjchem-2303	174	44	,	,	PUNCT
eurjchem-2303	174	45	phe1214	phe1214	ADJ
eurjchem-2303	174	46	,	,	PUNCT
eurjchem-2303	174	47	ala1215	ala1215	NOUN
eurjchem-2303	174	48	,	,	PUNCT
eurjchem-2303	174	49	ser1221	ser1221	NOUN
eurjchem-2303	174	50	,	,	PUNCT
eurjchem-2303	174	51	his1184	his1184	ADV
eurjchem-2303	174	52	,	,	PUNCT
eurjchem-2303	174	53	ser1186	ser1186	ADJ
eurjchem-2303	174	54	.	.	PUNCT
eurjchem-2303	174	55	tyr1224	tyr1224	NOUN
eurjchem-2303	174	56	parp-1	parp-1	PROPN
eurjchem-2303	174	57	arg	arg	NOUN
eurjchem-2303	174	58	878	878	NUM
eurjchem-2303	174	59	,	,	PUNCT
eurjchem-2303	174	60	asp	asp	PROPN
eurjchem-2303	174	61	770	770	NUM
eurjchem-2303	174	62	tyr710	tyr710	ADJ
eurjchem-2303	174	63	,	,	PUNCT
eurjchem-2303	174	64	pro	pro	ADJ
eurjchem-2303	174	65	881	881	NUM
eurjchem-2303	174	66	,	,	PUNCT
eurjchem-2303	174	67	leu769	leu769	PROPN
eurjchem-2303	174	68	,	,	PUNCT
eurjchem-2303	174	69	ala880	ala880	PROPN
eurjchem-2303	174	70	,	,	PUNCT
eurjchem-2303	174	71	asp766	asp766	PROPN
eurjchem-2303	174	72	,	,	PUNCT
eurjchem-2303	174	73	ile879	ile879	NOUN
eurjchem-2303	174	74	,	,	PUNCT
eurjchem-2303	174	75	ile872	ile872	NOUN
eurjchem-2303	174	76	,	,	PUNCT
eurjchem-2303	174	77	leu877	leu877	PROPN
eurjchem-2303	174	78	parp-2	parp-2	PROPN
eurjchem-2303	174	79	gly	gly	ADV
eurjchem-2303	174	80	429	429	NUM
eurjchem-2303	174	81	tyr462	tyr462	NOUN
eurjchem-2303	174	82	,	,	PUNCT
eurjchem-2303	174	83	glu558	glu558	ADJ
eurjchem-2303	174	84	,	,	PUNCT
eurjchem-2303	174	85	his428	his428	PROPN
eurjchem-2303	174	86	,	,	PUNCT
eurjchem-2303	174	87	ser470	ser470	PROPN
eurjchem-2303	174	88	,	,	PUNCT
eurjchem-2303	174	89	ala464	ala464	PROPN
eurjchem-2303	174	90	,	,	PUNCT
eurjchem-2303	174	91	ser430	ser430	PROPN
eurjchem-2303	174	92	tyr473	tyr473	PROPN
eurjchem-2303	174	93	table	table	NOUN
eurjchem-2303	174	94	9	9	NUM
eurjchem-2303	174	95	.	.	PUNCT
eurjchem-2303	175	1	physio	physio	NOUN
eurjchem-2303	175	2	-	-	PUNCT
eurjchem-2303	175	3	chemical	chemical	NOUN
eurjchem-2303	175	4	properties	property	NOUN
eurjchem-2303	175	5	of	of	ADP
eurjchem-2303	175	6	2mba	2mba	NUM
eurjchem-2303	175	7	physicochemical	physicochemical	ADJ
eurjchem-2303	175	8	properties	property	NOUN
eurjchem-2303	175	9	lipophilicity	lipophilicity	VERB
eurjchem-2303	175	10	water	water	NOUN
eurjchem-2303	175	11	solubility	solubility	NOUN
eurjchem-2303	175	12	pharmacokinetics	pharmacokinetic	NOUN
eurjchem-2303	175	13	formula	formula	NOUN
eurjchem-2303	175	14	c10h13no2	c10h13no2	PROPN
eurjchem-2303	175	15	log	log	VERB
eurjchem-2303	175	16	po	po	NOUN
eurjchem-2303	175	17	/	/	SYM
eurjchem-2303	175	18	w	w	PROPN
eurjchem-2303	175	19	(	(	PUNCT
eurjchem-2303	175	20	ilogp	ilogp	NOUN
eurjchem-2303	175	21	)	)	PUNCT
eurjchem-2303	175	22	2.09	2.09	NUM
eurjchem-2303	175	23	log	log	NOUN
eurjchem-2303	175	24	s	s	PART
eurjchem-2303	175	25	(	(	PUNCT
eurjchem-2303	175	26	esol	esol	PROPN
eurjchem-2303	175	27	)	)	PUNCT
eurjchem-2303	175	28	-1.74	-1.74	VERB
eurjchem-2303	175	29	gi	gi	PROPN
eurjchem-2303	175	30	absorption	absorption	NOUN
eurjchem-2303	175	31	high	high	ADJ
eurjchem-2303	175	32	molecular	molecular	ADJ
eurjchem-2303	175	33	weight	weight	NOUN
eurjchem-2303	175	34	,	,	PUNCT
eurjchem-2303	175	35	g	g	NOUN
eurjchem-2303	175	36	/	/	SYM
eurjchem-2303	175	37	mol	mol	ADP
eurjchem-2303	175	38	179.22	179.22	NUM
eurjchem-2303	175	39	log	log	NOUN
eurjchem-2303	175	40	po	po	NOUN
eurjchem-2303	175	41	/	/	SYM
eurjchem-2303	175	42	w	w	PROPN
eurjchem-2303	175	43	(	(	PUNCT
eurjchem-2303	175	44	xlogp3	xlogp3	PROPN
eurjchem-2303	175	45	)	)	PUNCT
eurjchem-2303	175	46	1.13	1.13	NUM
eurjchem-2303	175	47	solubility	solubility	NOUN
eurjchem-2303	175	48	3.26	3.26	NUM
eurjchem-2303	175	49	mg	mg	NOUN
eurjchem-2303	175	50	/	/	SYM
eurjchem-2303	175	51	ml	ml	NOUN
eurjchem-2303	175	52	bbb	bbb	X
eurjchem-2303	175	53	permeant	permeant	NOUN
eurjchem-2303	176	1	yes	yes	INTJ
eurjchem-2303	176	2	num	num	ADJ
eurjchem-2303	176	3	.	.	PUNCT
eurjchem-2303	177	1	heavy	heavy	ADJ
eurjchem-2303	177	2	atoms	atom	NOUN
eurjchem-2303	177	3	13	13	NUM
eurjchem-2303	177	4	log	log	NOUN
eurjchem-2303	177	5	po	po	NOUN
eurjchem-2303	177	6	/	/	SYM
eurjchem-2303	177	7	w	w	PROPN
eurjchem-2303	177	8	(	(	PUNCT
eurjchem-2303	177	9	wlogp	wlogp	NOUN
eurjchem-2303	177	10	)	)	PUNCT
eurjchem-2303	177	11	1.18	1.18	NUM
eurjchem-2303	177	12	class	class	NOUN
eurjchem-2303	177	13	very	very	ADV
eurjchem-2303	177	14	soluble	soluble	ADJ
eurjchem-2303	177	15	p	p	NOUN
eurjchem-2303	177	16	-	-	PUNCT
eurjchem-2303	177	17	gp	gp	NOUN
eurjchem-2303	177	18	substrate	substrate	NOUN
eurjchem-2303	177	19	no	no	DET
eurjchem-2303	177	20	num	num	NOUN
eurjchem-2303	177	21	.	.	PUNCT
eurjchem-2303	178	1	arom	arom	ADJ
eurjchem-2303	178	2	.	.	PUNCT
eurjchem-2303	179	1	heavy	heavy	ADJ
eurjchem-2303	179	2	atoms	atom	NOUN
eurjchem-2303	179	3	6	6	NUM
eurjchem-2303	179	4	log	log	NOUN
eurjchem-2303	179	5	po	po	NOUN
eurjchem-2303	179	6	/	/	SYM
eurjchem-2303	179	7	w	w	PROPN
eurjchem-2303	179	8	(	(	PUNCT
eurjchem-2303	179	9	mlogp	mlogp	NOUN
eurjchem-2303	179	10	)	)	PUNCT
eurjchem-2303	179	11	1.27	1.27	NUM
eurjchem-2303	179	12	log	log	NOUN
eurjchem-2303	179	13	s	s	PART
eurjchem-2303	179	14	(	(	PUNCT
eurjchem-2303	179	15	ali	ali	PROPN
eurjchem-2303	179	16	)	)	PUNCT
eurjchem-2303	179	17	-1.53	-1.53	PROPN
eurjchem-2303	179	18	cyp1a2	cyp1a2	PROPN
eurjchem-2303	179	19	inhibitor	inhibitor	NOUN
eurjchem-2303	179	20	yes	yes	PRON
eurjchem-2303	179	21	fraction	fraction	NOUN
eurjchem-2303	179	22	csp3	csp3	PROPN
eurjchem-2303	179	23	0.30	0.30	NUM
eurjchem-2303	179	24	log	log	NOUN
eurjchem-2303	179	25	po	po	PROPN
eurjchem-2303	179	26	/	/	SYM
eurjchem-2303	179	27	w	w	PROPN
eurjchem-2303	179	28	(	(	PUNCT
eurjchem-2303	179	29	silicos	silico	NOUN
eurjchem-2303	179	30	-	-	PUNCT
eurjchem-2303	179	31	it	it	PRON
eurjchem-2303	179	32	)	)	PUNCT
eurjchem-2303	179	33	1.74	1.74	NUM
eurjchem-2303	179	34	solubility	solubility	NOUN
eurjchem-2303	179	35	5.30	5.30	NUM
eurjchem-2303	179	36	mg	mg	NOUN
eurjchem-2303	179	37	/	/	SYM
eurjchem-2303	179	38	ml	ml	X
eurjchem-2303	179	39	cyp2c19	cyp2c19	ADJ
eurjchem-2303	179	40	inhibitor	inhibitor	NOUN
eurjchem-2303	179	41	no	no	DET
eurjchem-2303	179	42	num	num	ADJ
eurjchem-2303	179	43	.	.	PUNCT
eurjchem-2303	179	44	rotatable	rotatable	ADJ
eurjchem-2303	179	45	bonds	bond	NOUN
eurjchem-2303	179	46	4	4	NUM
eurjchem-2303	179	47	consensus	consensus	NOUN
eurjchem-2303	179	48	log	log	NOUN
eurjchem-2303	179	49	po	po	NOUN
eurjchem-2303	179	50	/	/	SYM
eurjchem-2303	179	51	w	w	PROPN
eurjchem-2303	179	52	1.48	1.48	NUM
eurjchem-2303	179	53	class	class	NOUN
eurjchem-2303	179	54	very	very	ADV
eurjchem-2303	179	55	soluble	soluble	ADJ
eurjchem-2303	179	56	cyp2c9	cyp2c9	NOUN
eurjchem-2303	179	57	inhibitor	inhibitor	NOUN
eurjchem-2303	179	58	no	no	DET
eurjchem-2303	179	59	num	num	ADJ
eurjchem-2303	179	60	.	.	PUNCT
eurjchem-2303	180	1	h	h	NOUN
eurjchem-2303	180	2	-	-	PUNCT
eurjchem-2303	180	3	bond	bond	NOUN
eurjchem-2303	180	4	acceptors	acceptor	NOUN
eurjchem-2303	180	5	2	2	NUM
eurjchem-2303	180	6	log	log	NOUN
eurjchem-2303	180	7	s	s	PART
eurjchem-2303	180	8	(	(	PUNCT
eurjchem-2303	180	9	silicos	silico	NOUN
eurjchem-2303	180	10	-	-	PUNCT
eurjchem-2303	180	11	it	it	PRON
eurjchem-2303	180	12	)	)	PUNCT
eurjchem-2303	181	1	-3.32	-3.32	VERB
eurjchem-2303	181	2	cyp2d6	cyp2d6	NOUN
eurjchem-2303	181	3	inhibitor	inhibitor	NOUN
eurjchem-2303	181	4	no	no	DET
eurjchem-2303	181	5	num	num	PROPN
eurjchem-2303	181	6	.	.	PUNCT
eurjchem-2303	182	1	h	h	NOUN
eurjchem-2303	182	2	-	-	PUNCT
eurjchem-2303	182	3	bond	bond	NOUN
eurjchem-2303	182	4	donors	donor	NOUN
eurjchem-2303	182	5	1	1	NUM
eurjchem-2303	182	6	solubility	solubility	NOUN
eurjchem-2303	182	7	0.0866	0.0866	NUM
eurjchem-2303	182	8	mg	mg	PROPN
eurjchem-2303	182	9	/	/	SYM
eurjchem-2303	182	10	ml	ml	X
eurjchem-2303	182	11	cyp3a4	cyp3a4	PROPN
eurjchem-2303	182	12	inhibitor	inhibitor	NOUN
eurjchem-2303	182	13	no	no	DET
eurjchem-2303	182	14	molar	molar	ADJ
eurjchem-2303	182	15	refractivity	refractivity	NOUN
eurjchem-2303	182	16	50.52	50.52	NUM
eurjchem-2303	182	17	class	class	NOUN
eurjchem-2303	182	18	soluble	soluble	ADJ
eurjchem-2303	182	19	log	log	NOUN
eurjchem-2303	182	20	kp	kp	PROPN
eurjchem-2303	182	21	(	(	PUNCT
eurjchem-2303	182	22	skin	skin	NOUN
eurjchem-2303	182	23	permeation	permeation	NOUN
eurjchem-2303	182	24	)	)	PUNCT
eurjchem-2303	182	25	-6.59	-6.59	NUM
eurjchem-2303	182	26	cm	cm	NOUN
eurjchem-2303	182	27	/	/	SYM
eurjchem-2303	182	28	s	s	PART
eurjchem-2303	182	29	tpsa	tpsa	NOUN
eurjchem-2303	182	30	38.33	38.33	NUM
eurjchem-2303	182	31	å²	å²	NOUN
eurjchem-2303	182	32	the	the	DET
eurjchem-2303	182	33	nil	nil	ADJ
eurjchem-2303	182	34	alertness	alertness	NOUN
eurjchem-2303	182	35	in	in	ADP
eurjchem-2303	182	36	pains	pain	NOUN
eurjchem-2303	182	37	and	and	CCONJ
eurjchem-2303	182	38	brenk	brenk	NOUN
eurjchem-2303	182	39	rule	rule	VERB
eurjchem-2303	182	40	with	with	ADP
eurjchem-2303	182	41	a	a	DET
eurjchem-2303	182	42	synthetic	synthetic	ADJ
eurjchem-2303	182	43	accessibility	accessibility	NOUN
eurjchem-2303	182	44	score	score	NOUN
eurjchem-2303	182	45	of	of	ADP
eurjchem-2303	182	46	1.13	1.13	NUM
eurjchem-2303	182	47	shows	show	VERB
eurjchem-2303	182	48	a	a	DET
eurjchem-2303	182	49	possible	possible	ADJ
eurjchem-2303	182	50	drug	drug	NOUN
eurjchem-2303	182	51	-	-	PUNCT
eurjchem-2303	182	52	likeness	likeness	NOUN
eurjchem-2303	182	53	property	property	NOUN
eurjchem-2303	182	54	of	of	ADP
eurjchem-2303	182	55	2mba	2mba	PROPN
eurjchem-2303	182	56	.	.	PUNCT
eurjchem-2303	183	1	bioavailability	bioavailability	NOUN
eurjchem-2303	183	2	radar	radar	NOUN
eurjchem-2303	183	3	of	of	ADP
eurjchem-2303	183	4	the	the	DET
eurjchem-2303	183	5	molecule	molecule	NOUN
eurjchem-2303	183	6	(	(	PUNCT
eurjchem-2303	183	7	figure	figure	NOUN
eurjchem-2303	183	8	12a	12a	NOUN
eurjchem-2303	183	9	)	)	PUNCT
eurjchem-2303	183	10	prepared	prepare	VERB
eurjchem-2303	183	11	from	from	ADP
eurjchem-2303	183	12	the	the	DET
eurjchem-2303	183	13	swissadme	swissadme	PROPN
eurjchem-2303	183	14	server	server	NOUN
eurjchem-2303	183	15	.	.	PUNCT
eurjchem-2303	184	1	the	the	DET
eurjchem-2303	184	2	pink	pink	ADJ
eurjchem-2303	184	3	area	area	NOUN
eurjchem-2303	184	4	represents	represent	VERB
eurjchem-2303	184	5	the	the	DET
eurjchem-2303	184	6	optimal	optimal	ADJ
eurjchem-2303	184	7	range	range	NOUN
eurjchem-2303	184	8	for	for	ADP
eurjchem-2303	184	9	each	each	DET
eurjchem-2303	184	10	property	property	NOUN
eurjchem-2303	184	11	such	such	ADJ
eurjchem-2303	184	12	as	as	ADP
eurjchem-2303	184	13	lipophilicity	lipophilicity	NOUN
eurjchem-2303	184	14	(	(	PUNCT
eurjchem-2303	184	15	xlogp3	xlogp3	X
eurjchem-2303	185	1	-0.7	-0.7	X
eurjchem-2303	185	2	to	to	ADP
eurjchem-2303	185	3	+5.0	+5.0	NUM
eurjchem-2303	185	4	)	)	PUNCT
eurjchem-2303	185	5	,	,	PUNCT
eurjchem-2303	185	6	molecular	molecular	ADJ
eurjchem-2303	185	7	weight	weight	NOUN
eurjchem-2303	185	8	(	(	PUNCT
eurjchem-2303	185	9	150	150	NUM
eurjchem-2303	185	10	to	to	PART
eurjchem-2303	185	11	500	500	NUM
eurjchem-2303	185	12	g	g	NOUN
eurjchem-2303	185	13	/	/	SYM
eurjchem-2303	185	14	mol	mol	NOUN
eurjchem-2303	185	15	)	)	PUNCT
eurjchem-2303	185	16	,	,	PUNCT
eurjchem-2303	185	17	polarity	polarity	NOUN
eurjchem-2303	185	18	:	:	PUNCT
eurjchem-2303	185	19	tpsa	tpsa	NOUN
eurjchem-2303	185	20	(	(	PUNCT
eurjchem-2303	185	21	20	20	NUM
eurjchem-2303	185	22	to130	to130	PROPN
eurjchem-2303	185	23	å2	å2	PROPN
eurjchem-2303	185	24	)	)	PUNCT
eurjchem-2303	185	25	,	,	PUNCT
eurjchem-2303	185	26	solubility	solubility	NOUN
eurjchem-2303	185	27	(	(	PUNCT
eurjchem-2303	185	28	log	log	NOUN
eurjchem-2303	185	29	s	s	VERB
eurjchem-2303	185	30	not	not	PART
eurjchem-2303	185	31	more	more	ADJ
eurjchem-2303	185	32	than	than	ADP
eurjchem-2303	185	33	6	6	NUM
eurjchem-2303	185	34	)	)	PUNCT
eurjchem-2303	185	35	,	,	PUNCT
eurjchem-2303	185	36	saturation	saturation	NOUN
eurjchem-2303	185	37	(	(	PUNCT
eurjchem-2303	185	38	fraction	fraction	NOUN
eurjchem-2303	185	39	of	of	ADP
eurjchem-2303	185	40	carbons	carbon	NOUN
eurjchem-2303	185	41	in	in	ADP
eurjchem-2303	185	42	the	the	DET
eurjchem-2303	185	43	sp3	sp3	ADJ
eurjchem-2303	185	44	hybridization	hybridization	NOUN
eurjchem-2303	185	45	not	not	PART
eurjchem-2303	185	46	less	less	ADJ
eurjchem-2303	185	47	than	than	ADP
eurjchem-2303	185	48	0.25	0.25	NUM
eurjchem-2303	185	49	)	)	PUNCT
eurjchem-2303	185	50	,	,	PUNCT
eurjchem-2303	185	51	and	and	CCONJ
eurjchem-2303	185	52	flexibility	flexibility	NOUN
eurjchem-2303	185	53	(	(	PUNCT
eurjchem-2303	185	54	no	no	DET
eurjchem-2303	185	55	more	more	ADJ
eurjchem-2303	185	56	than	than	ADP
eurjchem-2303	185	57	9	9	NUM
eurjchem-2303	185	58	rotatable	rotatable	ADJ
eurjchem-2303	185	59	bonds	bond	NOUN
eurjchem-2303	185	60	)	)	PUNCT
eurjchem-2303	185	61	.	.	PUNCT
eurjchem-2303	186	1	here	here	ADV
eurjchem-2303	186	2	,	,	PUNCT
eurjchem-2303	186	3	our	our	PRON
eurjchem-2303	186	4	molecule	molecule	NOUN
eurjchem-2303	186	5	values	value	NOUN
eurjchem-2303	186	6	cover	cover	VERB
eurjchem-2303	186	7	an	an	DET
eurjchem-2303	186	8	optimal	optimal	ADJ
eurjchem-2303	186	9	area	area	NOUN
eurjchem-2303	186	10	of	of	ADP
eurjchem-2303	186	11	all	all	DET
eurjchem-2303	186	12	properties	property	NOUN
eurjchem-2303	186	13	showing	show	VERB
eurjchem-2303	186	14	good	good	ADJ
eurjchem-2303	186	15	drug	drug	NOUN
eurjchem-2303	186	16	likeliness	likeliness	NOUN
eurjchem-2303	186	17	character	character	NOUN
eurjchem-2303	186	18	.	.	PUNCT
eurjchem-2303	187	1	boiled	boil	VERB
eurjchem-2303	187	2	-	-	PUNCT
eurjchem-2303	187	3	egg	egg	NOUN
eurjchem-2303	187	4	(	(	PUNCT
eurjchem-2303	187	5	wlogp	wlogp	NOUN
eurjchem-2303	187	6	vs	vs	ADP
eurjchem-2303	187	7	tpsa	tpsa	NOUN
eurjchem-2303	187	8	)	)	PUNCT
eurjchem-2303	187	9	plot	plot	NOUN
eurjchem-2303	187	10	of	of	ADP
eurjchem-2303	187	11	2mba	2mba	PROPN
eurjchem-2303	187	12	is	be	AUX
eurjchem-2303	187	13	given	give	VERB
eurjchem-2303	187	14	in	in	ADP
eurjchem-2303	187	15	figure	figure	NOUN
eurjchem-2303	187	16	12b	12b	NOUN
eurjchem-2303	187	17	.	.	PUNCT
eurjchem-2303	188	1	the	the	DET
eurjchem-2303	188	2	red	red	ADJ
eurjchem-2303	188	3	dot	dot	NOUN
eurjchem-2303	188	4	structure	structure	NOUN
eurjchem-2303	188	5	shows	show	VERB
eurjchem-2303	188	6	that	that	SCONJ
eurjchem-2303	188	7	2mba	2mba	NUM
eurjchem-2303	188	8	is	be	AUX
eurjchem-2303	188	9	not	not	PART
eurjchem-2303	188	10	an	an	DET
eurjchem-2303	188	11	inhibitor	inhibitor	NOUN
eurjchem-2303	188	12	of	of	ADP
eurjchem-2303	188	13	p	p	NOUN
eurjchem-2303	188	14	-	-	PUNCT
eurjchem-2303	188	15	glycoprotein	glycoprotein	NOUN
eurjchem-2303	188	16	,	,	PUNCT
eurjchem-2303	188	17	and	and	CCONJ
eurjchem-2303	188	18	its	its	PRON
eurjchem-2303	188	19	presence	presence	NOUN
eurjchem-2303	188	20	inside	inside	ADP
eurjchem-2303	188	21	the	the	DET
eurjchem-2303	188	22	yellow	yellow	ADJ
eurjchem-2303	188	23	yolk	yolk	NOUN
eurjchem-2303	188	24	region	region	NOUN
eurjchem-2303	188	25	explains	explain	VERB
eurjchem-2303	188	26	its	its	PRON
eurjchem-2303	188	27	high	high	ADJ
eurjchem-2303	188	28	penetration	penetration	NOUN
eurjchem-2303	188	29	capability	capability	NOUN
eurjchem-2303	188	30	of	of	ADP
eurjchem-2303	188	31	the	the	DET
eurjchem-2303	188	32	blood	blood	NOUN
eurjchem-2303	188	33	-	-	PUNCT
eurjchem-2303	188	34	brain	brain	NOUN
eurjchem-2303	188	35	barrier	barrier	NOUN
eurjchem-2303	188	36	.	.	PUNCT
eurjchem-2303	189	1	the	the	DET
eurjchem-2303	189	2	future	future	ADJ
eurjchem-2303	189	3	work	work	NOUN
eurjchem-2303	189	4	will	will	AUX
eurjchem-2303	189	5	focus	focus	VERB
eurjchem-2303	189	6	on	on	ADP
eurjchem-2303	189	7	altering	alter	VERB
eurjchem-2303	189	8	the	the	DET
eurjchem-2303	189	9	molecule	molecule	NOUN
eurjchem-2303	189	10	character	character	NOUN
eurjchem-2303	189	11	to	to	PART
eurjchem-2303	189	12	improve	improve	VERB
eurjchem-2303	189	13	the	the	DET
eurjchem-2303	189	14	water	water	NOUN
eurjchem-2303	189	15	solubility	solubility	NOUN
eurjchem-2303	189	16	with	with	ADP
eurjchem-2303	189	17	less	less	ADV
eurjchem-2303	189	18	cytochrome	cytochrome	ADJ
eurjchem-2303	189	19	p	p	NOUN
eurjchem-2303	189	20	isoforms	isoform	NOUN
eurjchem-2303	189	21	inhibition	inhibition	NOUN
eurjchem-2303	189	22	.	.	PUNCT
eurjchem-2303	190	1	https://www.ebi.ac.uk/chembl/target/inspect/chembl614187	https://www.ebi.ac.uk/chembl/target/inspect/chembl614187	PROPN
eurjchem-2303	190	2	https://www.ebi.ac.uk/chembl/target/inspect/chembl2366315	https://www.ebi.ac.uk/chembl/target/inspect/chembl2366315	PROPN
eurjchem-2303	190	3	https://www.ebi.ac.uk/chembl/target/inspect/chembl612596	https://www.ebi.ac.uk/chembl/target/inspect/chembl612596	NOUN
eurjchem-2303	190	4	https://www.ebi.ac.uk/chembl/target/inspect/chembl613506	https://www.ebi.ac.uk/chembl/target/inspect/chembl613506	NOUN
eurjchem-2303	190	5	https://www.ebi.ac.uk/chembl/target/inspect/chembl614097	https://www.ebi.ac.uk/chembl/target/inspect/chembl614097	ADV
eurjchem-2303	190	6	https://www.ebi.ac.uk/chembl/target/inspect/chembl614355	https://www.ebi.ac.uk/chembl/target/inspect/chembl614355	PROPN
eurjchem-2303	190	7	https://www.ebi.ac.uk/chembl/target/inspect/chembl615023	https://www.ebi.ac.uk/chembl/target/inspect/chembl615023	PROPN
eurjchem-2303	190	8	https://www.ebi.ac.uk/chembl/target/inspect/chembl382	https://www.ebi.ac.uk/chembl/target/inspect/chembl382	PROPN
eurjchem-2303	190	9	https://www.ebi.ac.uk/chembl/target/inspect/chembl614736	https://www.ebi.ac.uk/chembl/target/inspect/chembl614736	PROPN
eurjchem-2303	191	1	https://www.ebi.ac.uk/chembl/target/inspect/chembl614809	https://www.ebi.ac.uk/chembl/target/inspect/chembl614809	PROPN
eurjchem-2303	191	2	https://www.ebi.ac.uk/chembl/target/inspect/chembl613834	https://www.ebi.ac.uk/chembl/target/inspect/chembl613834	PROPN
eurjchem-2303	191	3	https://www.ebi.ac.uk/chembl/target/inspect/chembl612255	https://www.ebi.ac.uk/chembl/target/inspect/chembl612255	PROPN
eurjchem-2303	191	4	https://www.ebi.ac.uk/chembl/target/inspect/chembl614667	https://www.ebi.ac.uk/chembl/target/inspect/chembl614667	NOUN
eurjchem-2303	191	5	https://www.ebi.ac.uk/chembl/target/inspect/chembl614176	https://www.ebi.ac.uk/chembl/target/inspect/chembl614176	NOUN
eurjchem-2303	191	6	https://www.ebi.ac.uk/chembl/target/inspect/chembl612247	https://www.ebi.ac.uk/chembl/target/inspect/chembl612247	NOUN
eurjchem-2303	191	7	https://www.ebi.ac.uk/chembl/target/inspect/chembl613987	https://www.ebi.ac.uk/chembl/target/inspect/chembl613987	NOUN
eurjchem-2303	191	8	https://www.ebi.ac.uk/chembl/target/inspect/chembl397	https://www.ebi.ac.uk/chembl/target/inspect/chembl397	ADJ
eurjchem-2303	191	9	https://www.ebi.ac.uk/chembl/target/inspect/chembl614637	https://www.ebi.ac.uk/chembl/target/inspect/chembl614637	NOUN
eurjchem-2303	191	10	https://www.ebi.ac.uk/chembl/target/inspect/chembl614287	https://www.ebi.ac.uk/chembl/target/inspect/chembl614287	INTJ
eurjchem-2303	192	1	https://www.ebi.ac.uk/chembl/target/inspect/chembl614910	https://www.ebi.ac.uk/chembl/target/inspect/chembl614910	VERB
eurjchem-2303	192	2	https://www.ebi.ac.uk/chembl/target/inspect/chembl614805	https://www.ebi.ac.uk/chembl/target/inspect/chembl614805	PROPN
eurjchem-2303	193	1	https://www.ebi.ac.uk/chembl/target/inspect/chembl612554	https://www.ebi.ac.uk/chembl/target/inspect/chembl612554	PROPN
eurjchem-2303	194	1	https://www.ebi.ac.uk/chembl/target/inspect/chembl612799	https://www.ebi.ac.uk/chembl/target/inspect/chembl612799	PROPN
eurjchem-2303	194	2	https://www.ebi.ac.uk/chembl/target/inspect/chembl387	https://www.ebi.ac.uk/chembl/target/inspect/chembl387	PROPN
eurjchem-2303	194	3	https://www.ebi.ac.uk/chembl/target/inspect/chembl614645	https://www.ebi.ac.uk/chembl/target/inspect/chembl614645	PROPN
eurjchem-2303	194	4	https://www.ebi.ac.uk/chembl/target/inspect/chembl614110	https://www.ebi.ac.uk/chembl/target/inspect/chembl614110	PROPN
eurjchem-2303	194	5	https://www.ebi.ac.uk/chembl/target/inspect/chembl614548	https://www.ebi.ac.uk/chembl/target/inspect/chembl614548	NOUN
eurjchem-2303	194	6	https://www.ebi.ac.uk/chembl/target/inspect/chembl614205	https://www.ebi.ac.uk/chembl/target/inspect/chembl614205	PROPN
eurjchem-2303	194	7	https://www.ebi.ac.uk/chembl/target/inspect/chembl614944	https://www.ebi.ac.uk/chembl/target/inspect/chembl614944	VERB
eurjchem-2303	194	8	https://www.ebi.ac.uk/chembl/target/inspect/chembl615010	https://www.ebi.ac.uk/chembl/target/inspect/chembl615010	PROPN
eurjchem-2303	194	9	https://www.ebi.ac.uk/chembl/target/inspect/chembl613300	https://www.ebi.ac.uk/chembl/target/inspect/chembl613300	INTJ
eurjchem-2303	195	1	https://www.ebi.ac.uk/chembl/target/inspect/chembl614033	https://www.ebi.ac.uk/chembl/target/inspect/chembl614033	INTJ
eurjchem-2303	195	2	https://www.ebi.ac.uk/chembl/target/inspect/chembl612798	https://www.ebi.ac.uk/chembl/target/inspect/chembl612798	VERB
eurjchem-2303	195	3	https://www.ebi.ac.uk/chembl/target/inspect/chembl612703	https://www.ebi.ac.uk/chembl/target/inspect/chembl612703	PROPN
eurjchem-2303	195	4	https://www.ebi.ac.uk/chembl/target/inspect/chembl614019	https://www.ebi.ac.uk/chembl/target/inspect/chembl614019	PROPN
eurjchem-2303	195	5	https://www.ebi.ac.uk/chembl/target/inspect/chembl614702	https://www.ebi.ac.uk/chembl/target/inspect/chembl614702	AUX
eurjchem-2303	195	6	https://www.ebi.ac.uk/chembl/target/inspect/chembl613540	https://www.ebi.ac.uk/chembl/target/inspect/chembl613540	ADV
eurjchem-2303	195	7	https://www.ebi.ac.uk/chembl/target/inspect/chembl614235	https://www.ebi.ac.uk/chembl/target/inspect/chembl614235	PROPN
eurjchem-2303	195	8	448	448	NUM
eurjchem-2303	195	9	murugan	murugan	PROPN
eurjchem-2303	195	10	et	et	PROPN
eurjchem-2303	195	11	al	al	PROPN
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eurjchem-2303	195	13	/	/	SYM
eurjchem-2303	195	14	european	european	PROPN
eurjchem-2303	195	15	journal	journal	PROPN
eurjchem-2303	195	16	of	of	ADP
eurjchem-2303	195	17	chemistry	chemistry	NOUN
eurjchem-2303	195	18	13	13	NUM
eurjchem-2303	195	19	(	(	PUNCT
eurjchem-2303	195	20	4	4	NUM
eurjchem-2303	195	21	)	)	PUNCT
eurjchem-2303	195	22	(	(	PUNCT
eurjchem-2303	195	23	2022	2022	NUM
eurjchem-2303	195	24	)	)	PUNCT
eurjchem-2303	195	25	440	440	NUM
eurjchem-2303	195	26	-	-	SYM
eurjchem-2303	195	27	450	450	NUM
eurjchem-2303	195	28	2022	2022	NUM
eurjchem-2303	195	29	–	–	PUNCT
eurjchem-2303	195	30	european	european	ADJ
eurjchem-2303	195	31	journal	journal	NOUN
eurjchem-2303	195	32	of	of	ADP
eurjchem-2303	195	33	chemistry	chemistry	NOUN
eurjchem-2303	195	34	–	–	PUNCT
eurjchem-2303	195	35	cc	cc	NOUN
eurjchem-2303	195	36	by	by	ADP
eurjchem-2303	195	37	nc	nc	PROPN
eurjchem-2303	195	38	–	–	PUNCT
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eurjchem-2303	195	40	:	:	PUNCT
eurjchem-2303	195	41	10.5155	10.5155	NUM
eurjchem-2303	195	42	/	/	SYM
eurjchem-2303	195	43	eurjchem.13.4.440	eurjchem.13.4.440	PRON
eurjchem-2303	195	44	-	-	SYM
eurjchem-2303	195	45	450.2303	450.2303	NUM
eurjchem-2303	195	46	complex	complex	ADJ
eurjchem-2303	195	47	(	(	PUNCT
eurjchem-2303	195	48	a	a	NOUN
eurjchem-2303	195	49	)	)	PUNCT
eurjchem-2303	195	50	complex	complex	ADJ
eurjchem-2303	195	51	(	(	PUNCT
eurjchem-2303	195	52	b	b	NOUN
eurjchem-2303	195	53	)	)	PUNCT
eurjchem-2303	195	54	4tkg	4tkg	NOUN
eurjchem-2303	195	55	(	(	PUNCT
eurjchem-2303	195	56	c	c	NOUN
eurjchem-2303	195	57	)	)	PUNCT
eurjchem-2303	195	58	7kkm	7kkm	PROPN
eurjchem-2303	195	59	(	(	PUNCT
eurjchem-2303	195	60	d	d	NOUN
eurjchem-2303	195	61	)	)	PUNCT
eurjchem-2303	195	62	figure	figure	NOUN
eurjchem-2303	195	63	11	11	NUM
eurjchem-2303	195	64	.	.	PUNCT
eurjchem-2303	196	1	molecular	molecular	ADJ
eurjchem-2303	196	2	interactions	interaction	NOUN
eurjchem-2303	196	3	of	of	ADP
eurjchem-2303	196	4	the	the	DET
eurjchem-2303	196	5	ligand	ligand	NOUN
eurjchem-2303	196	6	with	with	ADP
eurjchem-2303	196	7	tankyrase-1	tankyrase-1	NUM
eurjchem-2303	196	8	and	and	CCONJ
eurjchem-2303	196	9	tankyrase-2	tankyrase-2	NUM
eurjchem-2303	196	10	compared	compare	VERB
eurjchem-2303	196	11	with	with	ADP
eurjchem-2303	196	12	molecular	molecular	ADJ
eurjchem-2303	196	13	interactions	interaction	NOUN
eurjchem-2303	196	14	of	of	ADP
eurjchem-2303	196	15	drugs	drug	NOUN
eurjchem-2303	196	16	olaparib	olaparib	ADJ
eurjchem-2303	196	17	and	and	CCONJ
eurjchem-2303	196	18	talazoparib	talazoparib	PROPN
eurjchem-2303	196	19	complexed	complexe	VERB
eurjchem-2303	196	20	crystal	crystal	NOUN
eurjchem-2303	196	21	structure	structure	NOUN
eurjchem-2303	196	22	.	.	PUNCT
eurjchem-2303	197	1	(	(	PUNCT
eurjchem-2303	197	2	a	a	X
eurjchem-2303	197	3	)	)	PUNCT
eurjchem-2303	197	4	hydrogen	hydrogen	NOUN
eurjchem-2303	197	5	and	and	CCONJ
eurjchem-2303	197	6	hydrophobic	hydrophobic	NOUN
eurjchem-2303	197	7	interaction	interaction	NOUN
eurjchem-2303	197	8	plot	plot	NOUN
eurjchem-2303	197	9	generated	generate	VERB
eurjchem-2303	197	10	using	use	VERB
eurjchem-2303	197	11	ligplot	ligplot	NOUN
eurjchem-2303	197	12	for	for	SCONJ
eurjchem-2303	197	13	the	the	DET
eurjchem-2303	197	14	title	title	NOUN
eurjchem-2303	197	15	ligand	ligand	NOUN
eurjchem-2303	197	16	docked	dock	VERB
eurjchem-2303	197	17	with	with	ADP
eurjchem-2303	197	18	tankyrase-2	tankyrase-2	PROPN
eurjchem-2303	197	19	(	(	PUNCT
eurjchem-2303	197	20	pdb	pdb	NOUN
eurjchem-2303	197	21	:	:	PUNCT
eurjchem-2303	197	22	3kr7	3kr7	NUM
eurjchem-2303	197	23	)	)	PUNCT
eurjchem-2303	197	24	(	(	PUNCT
eurjchem-2303	197	25	dotted	dot	VERB
eurjchem-2303	197	26	line	line	NOUN
eurjchem-2303	197	27	-	-	PUNCT
eurjchem-2303	197	28	hydrogen	hydrogen	NOUN
eurjchem-2303	197	29	bonds	bond	NOUN
eurjchem-2303	197	30	,	,	PUNCT
eurjchem-2303	197	31	arc	arc	NOUN
eurjchem-2303	197	32	structures	structure	NOUN
eurjchem-2303	197	33	-	-	PUNCT
eurjchem-2303	197	34	residues	residue	NOUN
eurjchem-2303	197	35	)	)	PUNCT
eurjchem-2303	197	36	,	,	PUNCT
eurjchem-2303	197	37	(	(	PUNCT
eurjchem-2303	197	38	b	b	X
eurjchem-2303	197	39	)	)	PUNCT
eurjchem-2303	197	40	hydrogen	hydrogen	NOUN
eurjchem-2303	197	41	and	and	CCONJ
eurjchem-2303	197	42	hydrophobic	hydrophobic	NOUN
eurjchem-2303	197	43	interaction	interaction	NOUN
eurjchem-2303	197	44	plot	plot	NOUN
eurjchem-2303	197	45	generated	generate	VERB
eurjchem-2303	197	46	using	use	VERB
eurjchem-2303	197	47	ligplot	ligplot	NOUN
eurjchem-2303	197	48	for	for	ADP
eurjchem-2303	197	49	the	the	DET
eurjchem-2303	197	50	ligand	ligand	NOUN
eurjchem-2303	197	51	docked	dock	VERB
eurjchem-2303	197	52	with	with	ADP
eurjchem-2303	197	53	tankyrase-1	tankyrase-1	PROPN
eurjchem-2303	197	54	,	,	PUNCT
eurjchem-2303	197	55	(	(	PUNCT
eurjchem-2303	197	56	pdb	pdb	NOUN
eurjchem-2303	197	57	:	:	PUNCT
eurjchem-2303	197	58	7kkm	7kkm	NUM
eurjchem-2303	197	59	)	)	PUNCT
eurjchem-2303	197	60	(	(	PUNCT
eurjchem-2303	197	61	dotted	dot	VERB
eurjchem-2303	197	62	line	line	NOUN
eurjchem-2303	197	63	-	-	PUNCT
eurjchem-2303	197	64	hydrogen	hydrogen	NOUN
eurjchem-2303	197	65	bonds	bond	NOUN
eurjchem-2303	197	66	,	,	PUNCT
eurjchem-2303	197	67	arc	arc	NOUN
eurjchem-2303	197	68	structures	structure	NOUN
eurjchem-2303	197	69	-	-	PUNCT
eurjchem-2303	197	70	residues	residue	NOUN
eurjchem-2303	197	71	)	)	PUNCT
eurjchem-2303	197	72	,	,	PUNCT
eurjchem-2303	197	73	(	(	PUNCT
eurjchem-2303	197	74	c	c	X
eurjchem-2303	197	75	)	)	PUNCT
eurjchem-2303	197	76	hydrogen	hydrogen	NOUN
eurjchem-2303	197	77	and	and	CCONJ
eurjchem-2303	197	78	hydrophobic	hydrophobic	NOUN
eurjchem-2303	197	79	interaction	interaction	NOUN
eurjchem-2303	197	80	plot	plot	NOUN
eurjchem-2303	197	81	generated	generate	VERB
eurjchem-2303	197	82	using	use	VERB
eurjchem-2303	197	83	ligplot	ligplot	NOUN
eurjchem-2303	197	84	for	for	ADP
eurjchem-2303	197	85	drug	drug	NOUN
eurjchem-2303	197	86	olaparib	olaparib	VERB
eurjchem-2303	197	87	with	with	ADP
eurjchem-2303	197	88	tankyrase-2	tankyrase-2	PUNCT
eurjchem-2303	197	89	crystal	crystal	NOUN
eurjchem-2303	197	90	structure	structure	NOUN
eurjchem-2303	197	91	downloaded	download	VERB
eurjchem-2303	197	92	from	from	ADP
eurjchem-2303	197	93	rcsb	rcsb	NOUN
eurjchem-2303	197	94	(	(	PUNCT
eurjchem-2303	197	95	pdb	pdb	NOUN
eurjchem-2303	197	96	:	:	PUNCT
eurjchem-2303	197	97	4tkg	4tkg	NUM
eurjchem-2303	197	98	)	)	PUNCT
eurjchem-2303	197	99	(	(	PUNCT
eurjchem-2303	197	100	dotted	dot	VERB
eurjchem-2303	197	101	line	line	NOUN
eurjchem-2303	197	102	-	-	PUNCT
eurjchem-2303	197	103	hydrogen	hydrogen	NOUN
eurjchem-2303	197	104	bonds	bond	NOUN
eurjchem-2303	197	105	,	,	PUNCT
eurjchem-2303	197	106	arc	arc	NOUN
eurjchem-2303	197	107	structures	structure	NOUN
eurjchem-2303	197	108	-	-	PUNCT
eurjchem-2303	197	109	residues	residue	NOUN
eurjchem-2303	197	110	involved	involve	VERB
eurjchem-2303	197	111	in	in	ADP
eurjchem-2303	197	112	hydrophobic	hydrophobic	NOUN
eurjchem-2303	197	113	interaction	interaction	NOUN
eurjchem-2303	197	114	)	)	PUNCT
eurjchem-2303	197	115	,	,	PUNCT
eurjchem-2303	197	116	(	(	PUNCT
eurjchem-2303	197	117	d	d	X
eurjchem-2303	197	118	)	)	PUNCT
eurjchem-2303	197	119	hydrogen	hydrogen	NOUN
eurjchem-2303	197	120	and	and	CCONJ
eurjchem-2303	197	121	hydrophobic	hydrophobic	NOUN
eurjchem-2303	197	122	interaction	interaction	NOUN
eurjchem-2303	197	123	plot	plot	NOUN
eurjchem-2303	197	124	generated	generate	VERB
eurjchem-2303	197	125	using	use	VERB
eurjchem-2303	197	126	ligplot	ligplot	NOUN
eurjchem-2303	197	127	for	for	ADP
eurjchem-2303	197	128	drug	drug	NOUN
eurjchem-2303	197	129	talazoparib	talazoparib	NOUN
eurjchem-2303	197	130	with	with	ADP
eurjchem-2303	197	131	tankyrase-1	tankyrase-1	PROPN
eurjchem-2303	197	132	crystal	crystal	NOUN
eurjchem-2303	197	133	structure	structure	NOUN
eurjchem-2303	197	134	downloaded	download	VERB
eurjchem-2303	197	135	from	from	ADP
eurjchem-2303	197	136	rcsb	rcsb	NOUN
eurjchem-2303	197	137	(	(	PUNCT
eurjchem-2303	197	138	pdb	pdb	NOUN
eurjchem-2303	197	139	:	:	PUNCT
eurjchem-2303	197	140	7kkm	7kkm	NUM
eurjchem-2303	197	141	)	)	PUNCT
eurjchem-2303	197	142	(	(	PUNCT
eurjchem-2303	197	143	dotted	dot	VERB
eurjchem-2303	197	144	line	line	NOUN
eurjchem-2303	197	145	-	-	PUNCT
eurjchem-2303	197	146	hydrogen	hydrogen	NOUN
eurjchem-2303	197	147	bonds	bond	NOUN
eurjchem-2303	197	148	,	,	PUNCT
eurjchem-2303	197	149	arc	arc	NOUN
eurjchem-2303	197	150	structures	structure	NOUN
eurjchem-2303	197	151	-	-	PUNCT
eurjchem-2303	197	152	residues	residue	NOUN
eurjchem-2303	197	153	involved	involve	VERB
eurjchem-2303	197	154	in	in	ADP
eurjchem-2303	197	155	hydrophobic	hydrophobic	NOUN
eurjchem-2303	197	156	interaction	interaction	NOUN
eurjchem-2303	197	157	)	)	PUNCT
eurjchem-2303	197	158	.	.	PUNCT
eurjchem-2303	198	1	(	(	PUNCT
eurjchem-2303	198	2	a	a	X
eurjchem-2303	198	3	)	)	PUNCT
eurjchem-2303	198	4	(	(	PUNCT
eurjchem-2303	198	5	b	b	X
eurjchem-2303	198	6	)	)	PUNCT
eurjchem-2303	198	7	figure	figure	NOUN
eurjchem-2303	198	8	12	12	NUM
eurjchem-2303	198	9	.	.	PUNCT
eurjchem-2303	199	1	(	(	PUNCT
eurjchem-2303	199	2	a	a	X
eurjchem-2303	199	3	)	)	PUNCT
eurjchem-2303	199	4	bioavailability	bioavailability	NOUN
eurjchem-2303	199	5	radar	radar	NOUN
eurjchem-2303	199	6	and	and	CCONJ
eurjchem-2303	199	7	(	(	PUNCT
eurjchem-2303	199	8	b	b	NOUN
eurjchem-2303	199	9	)	)	PUNCT
eurjchem-2303	199	10	boiled	boil	VERB
eurjchem-2303	199	11	-	-	PUNCT
eurjchem-2303	199	12	egg	egg	NOUN
eurjchem-2303	199	13	plot	plot	NOUN
eurjchem-2303	199	14	of	of	ADP
eurjchem-2303	199	15	2mba	2mba	PROPN
eurjchem-2303	199	16	.	.	PUNCT
eurjchem-2303	200	1	murugan	murugan	PROPN
eurjchem-2303	200	2	et	et	PROPN
eurjchem-2303	200	3	al	al	PROPN
eurjchem-2303	200	4	.	.	PUNCT
eurjchem-2303	200	5	/	/	SYM
eurjchem-2303	200	6	european	european	PROPN
eurjchem-2303	200	7	journal	journal	PROPN
eurjchem-2303	200	8	of	of	ADP
eurjchem-2303	200	9	chemistry	chemistry	NOUN
eurjchem-2303	200	10	13	13	NUM
eurjchem-2303	200	11	(	(	PUNCT
eurjchem-2303	200	12	4	4	NUM
eurjchem-2303	200	13	)	)	PUNCT
eurjchem-2303	200	14	(	(	PUNCT
eurjchem-2303	200	15	2022	2022	NUM
eurjchem-2303	200	16	)	)	PUNCT
eurjchem-2303	200	17	440	440	NUM
eurjchem-2303	200	18	-	-	SYM
eurjchem-2303	200	19	450	450	NUM
eurjchem-2303	200	20	449	449	NUM
eurjchem-2303	200	21	2022	2022	NUM
eurjchem-2303	200	22	–	–	PUNCT
eurjchem-2303	200	23	european	european	ADJ
eurjchem-2303	200	24	journal	journal	NOUN
eurjchem-2303	200	25	of	of	ADP
eurjchem-2303	200	26	chemistry	chemistry	NOUN
eurjchem-2303	200	27	–	–	PUNCT
eurjchem-2303	200	28	cc	cc	NOUN
eurjchem-2303	200	29	by	by	ADP
eurjchem-2303	200	30	nc	nc	PROPN
eurjchem-2303	200	31	–	–	PUNCT
eurjchem-2303	200	32	doi	doi	PROPN
eurjchem-2303	200	33	:	:	PUNCT
eurjchem-2303	200	34	10.5155	10.5155	NUM
eurjchem-2303	200	35	/	/	SYM
eurjchem-2303	200	36	eurjchem.13.4.440	eurjchem.13.4.440	PROPN
eurjchem-2303	200	37	-	-	SYM
eurjchem-2303	200	38	450.2303	450.2303	NUM
eurjchem-2303	200	39	4	4	NUM
eurjchem-2303	200	40	.	.	PUNCT
eurjchem-2303	200	41	conclusions	conclusion	NOUN
eurjchem-2303	200	42	in	in	ADP
eurjchem-2303	200	43	the	the	DET
eurjchem-2303	200	44	present	present	ADJ
eurjchem-2303	200	45	work	work	NOUN
eurjchem-2303	200	46	,	,	PUNCT
eurjchem-2303	200	47	n-(2	n-(2	NOUN
eurjchem-2303	200	48	-	-	PUNCT
eurjchem-2303	200	49	methoxy	methoxy	ADJ
eurjchem-2303	200	50	-	-	PUNCT
eurjchem-2303	200	51	benzyl)acetamide	benzyl)acetamide	NOUN
eurjchem-2303	200	52	derived	derive	VERB
eurjchem-2303	200	53	from	from	ADP
eurjchem-2303	200	54	2	2	NUM
eurjchem-2303	200	55	-	-	PUNCT
eurjchem-2303	200	56	methoxybenzylamine	methoxybenzylamine	ADJ
eurjchem-2303	200	57	and	and	CCONJ
eurjchem-2303	200	58	acetic	acetic	ADJ
eurjchem-2303	200	59	acid	acid	NOUN
eurjchem-2303	200	60	was	be	AUX
eurjchem-2303	200	61	successfully	successfully	ADV
eurjchem-2303	200	62	synthesized	synthesize	VERB
eurjchem-2303	200	63	.	.	PUNCT
eurjchem-2303	201	1	the	the	DET
eurjchem-2303	201	2	obtained	obtain	VERB
eurjchem-2303	201	3	compound	compound	NOUN
eurjchem-2303	201	4	was	be	AUX
eurjchem-2303	201	5	characterized	characterize	VERB
eurjchem-2303	201	6	by	by	ADP
eurjchem-2303	201	7	using	use	VERB
eurjchem-2303	201	8	spectroscopic	spectroscopic	ADJ
eurjchem-2303	201	9	analysis	analysis	NOUN
eurjchem-2303	201	10	,	,	PUNCT
eurjchem-2303	201	11	such	such	ADJ
eurjchem-2303	201	12	as	as	ADP
eurjchem-2303	201	13	ft	ft	NOUN
eurjchem-2303	201	14	-	-	PUNCT
eurjchem-2303	201	15	ir	ir	NOUN
eurjchem-2303	201	16	and	and	CCONJ
eurjchem-2303	201	17	nmr	nmr	NOUN
eurjchem-2303	201	18	studies	study	NOUN
eurjchem-2303	201	19	.	.	PUNCT
eurjchem-2303	202	1	our	our	PRON
eurjchem-2303	202	2	findings	finding	NOUN
eurjchem-2303	202	3	also	also	ADV
eurjchem-2303	202	4	characterize	characterize	VERB
eurjchem-2303	202	5	the	the	DET
eurjchem-2303	202	6	fmo	fmo	NOUN
eurjchem-2303	202	7	and	and	CCONJ
eurjchem-2303	202	8	mep	mep	PROPN
eurjchem-2303	202	9	concepts	concept	NOUN
eurjchem-2303	202	10	that	that	PRON
eurjchem-2303	202	11	were	be	AUX
eurjchem-2303	202	12	successfully	successfully	ADV
eurjchem-2303	202	13	applied	apply	VERB
eurjchem-2303	202	14	in	in	ADP
eurjchem-2303	202	15	2mba	2mba	NUM
eurjchem-2303	202	16	to	to	PART
eurjchem-2303	202	17	confirm	confirm	VERB
eurjchem-2303	202	18	the	the	DET
eurjchem-2303	202	19	experimental	experimental	ADJ
eurjchem-2303	202	20	results	result	NOUN
eurjchem-2303	202	21	.	.	PUNCT
eurjchem-2303	203	1	non	non	ADJ
eurjchem-2303	203	2	-	-	ADJ
eurjchem-2303	203	3	covalent	covalent	ADJ
eurjchem-2303	203	4	supramolecular	supramolecular	ADJ
eurjchem-2303	203	5	interactions	interaction	NOUN
eurjchem-2303	203	6	in	in	ADP
eurjchem-2303	203	7	the	the	DET
eurjchem-2303	203	8	crystal	crystal	NOUN
eurjchem-2303	203	9	structure	structure	NOUN
eurjchem-2303	203	10	were	be	AUX
eurjchem-2303	203	11	quantified	quantify	VERB
eurjchem-2303	203	12	through	through	ADP
eurjchem-2303	203	13	hirshfeld	hirshfeld	PROPN
eurjchem-2303	203	14	dnorm	dnorm	NOUN
eurjchem-2303	203	15	surfaces	surface	NOUN
eurjchem-2303	203	16	and	and	CCONJ
eurjchem-2303	203	17	2d	2d	NOUN
eurjchem-2303	203	18	fingerprint	fingerprint	NOUN
eurjchem-2303	203	19	plots	plot	NOUN
eurjchem-2303	203	20	to	to	PART
eurjchem-2303	203	21	predict	predict	VERB
eurjchem-2303	203	22	the	the	DET
eurjchem-2303	203	23	percentage	percentage	NOUN
eurjchem-2303	203	24	interactions	interaction	NOUN
eurjchem-2303	203	25	.	.	PUNCT
eurjchem-2303	204	1	the	the	DET
eurjchem-2303	204	2	quantum	quantum	ADJ
eurjchem-2303	204	3	chemical	chemical	NOUN
eurjchem-2303	204	4	parameters	parameter	NOUN
eurjchem-2303	204	5	such	such	ADJ
eurjchem-2303	204	6	as	as	ADP
eurjchem-2303	204	7	chemical	chemical	ADJ
eurjchem-2303	204	8	hardness	hardness	NOUN
eurjchem-2303	204	9	,	,	PUNCT
eurjchem-2303	204	10	softness	softness	ADJ
eurjchem-2303	204	11	electronegativity	electronegativity	NOUN
eurjchem-2303	204	12	,	,	PUNCT
eurjchem-2303	204	13	homo	homo	NOUN
eurjchem-2303	204	14	-	-	PUNCT
eurjchem-2303	204	15	lumo	lumo	NOUN
eurjchem-2303	204	16	energy	energy	NOUN
eurjchem-2303	204	17	gap	gap	NOUN
eurjchem-2303	204	18	,	,	PUNCT
eurjchem-2303	204	19	elumo	elumo	ADJ
eurjchem-2303	204	20	,	,	PUNCT
eurjchem-2303	204	21	and	and	CCONJ
eurjchem-2303	204	22	ehomo	ehomo	ADV
eurjchem-2303	204	23	provide	provide	VERB
eurjchem-2303	204	24	important	important	ADJ
eurjchem-2303	204	25	clues	clue	NOUN
eurjchem-2303	204	26	about	about	ADP
eurjchem-2303	204	27	the	the	DET
eurjchem-2303	204	28	biological	biological	ADJ
eurjchem-2303	204	29	activity	activity	NOUN
eurjchem-2303	204	30	of	of	ADP
eurjchem-2303	204	31	the	the	DET
eurjchem-2303	204	32	amide	amide	NOUN
eurjchem-2303	204	33	2mba	2mba	PROPN
eurjchem-2303	204	34	have	have	AUX
eurjchem-2303	204	35	been	be	AUX
eurjchem-2303	204	36	calculated	calculate	VERB
eurjchem-2303	204	37	with	with	ADP
eurjchem-2303	204	38	the	the	DET
eurjchem-2303	204	39	b3lyp/6311g++(d	b3lyp/6311g++(d	ADJ
eurjchem-2303	204	40	,	,	PUNCT
eurjchem-2303	204	41	p	p	NOUN
eurjchem-2303	204	42	)	)	PUNCT
eurjchem-2303	204	43	method	method	NOUN
eurjchem-2303	204	44	.	.	PUNCT
eurjchem-2303	205	1	in	in	ADP
eurjchem-2303	205	2	addition	addition	NOUN
eurjchem-2303	205	3	,	,	PUNCT
eurjchem-2303	205	4	a	a	DET
eurjchem-2303	205	5	positive	positive	ADJ
eurjchem-2303	205	6	result	result	NOUN
eurjchem-2303	205	7	of	of	ADP
eurjchem-2303	205	8	kinase	kinase	NOUN
eurjchem-2303	205	9	inhibition	inhibition	NOUN
eurjchem-2303	205	10	was	be	AUX
eurjchem-2303	205	11	implicated	implicate	VERB
eurjchem-2303	205	12	by	by	ADP
eurjchem-2303	205	13	a	a	DET
eurjchem-2303	205	14	molecular	molecular	ADJ
eurjchem-2303	205	15	docking	docking	NOUN
eurjchem-2303	205	16	study	study	NOUN
eurjchem-2303	205	17	against	against	ADP
eurjchem-2303	205	18	anticancer	anticancer	NOUN
eurjchem-2303	205	19	activity	activity	NOUN
eurjchem-2303	205	20	.	.	PUNCT
eurjchem-2303	206	1	furthermore	furthermore	ADV
eurjchem-2303	206	2	,	,	PUNCT
eurjchem-2303	206	3	drug	drug	NOUN
eurjchem-2303	206	4	-	-	PUNCT
eurjchem-2303	206	5	likeness	likeness	NOUN
eurjchem-2303	206	6	and	and	CCONJ
eurjchem-2303	206	7	pharmacodynamics	pharmacodynamic	NOUN
eurjchem-2303	206	8	data	datum	NOUN
eurjchem-2303	206	9	revealed	reveal	VERB
eurjchem-2303	206	10	that	that	SCONJ
eurjchem-2303	206	11	2mba	2mba	NUM
eurjchem-2303	206	12	completed	complete	VERB
eurjchem-2303	206	13	adme	adme	NOUN
eurjchem-2303	206	14	requirements	requirement	NOUN
eurjchem-2303	206	15	and	and	CCONJ
eurjchem-2303	206	16	has	have	VERB
eurjchem-2303	206	17	good	good	ADJ
eurjchem-2303	206	18	drug	drug	NOUN
eurjchem-2303	206	19	score	score	NOUN
eurjchem-2303	206	20	values	value	NOUN
eurjchem-2303	206	21	.	.	PUNCT
eurjchem-2303	207	1	the	the	DET
eurjchem-2303	207	2	molecular	molecular	ADJ
eurjchem-2303	207	3	docking	docking	NOUN
eurjchem-2303	207	4	results	result	NOUN
eurjchem-2303	207	5	show	show	VERB
eurjchem-2303	207	6	the	the	DET
eurjchem-2303	207	7	interaction	interaction	NOUN
eurjchem-2303	207	8	of	of	ADP
eurjchem-2303	207	9	compounds	compound	NOUN
eurjchem-2303	207	10	like	like	ADP
eurjchem-2303	207	11	olaparib	olaparib	NOUN
eurjchem-2303	207	12	and	and	CCONJ
eurjchem-2303	207	13	talazoparib	talazoparib	PROPN
eurjchem-2303	207	14	drug	drug	NOUN
eurjchem-2303	207	15	compounds	compound	NOUN
eurjchem-2303	207	16	and	and	CCONJ
eurjchem-2303	207	17	the	the	DET
eurjchem-2303	207	18	interaction	interaction	NOUN
eurjchem-2303	207	19	of	of	ADP
eurjchem-2303	207	20	the	the	DET
eurjchem-2303	207	21	compound	compound	NOUN
eurjchem-2303	207	22	with	with	ADP
eurjchem-2303	207	23	tankyrase-1	tankyrase-1	NUM
eurjchem-2303	207	24	and	and	CCONJ
eurjchem-2303	207	25	tankyrase-2	tankyrase-2	NUM
eurjchem-2303	207	26	has	have	AUX
eurjchem-2303	207	27	been	be	AUX
eurjchem-2303	207	28	potential	potential	ADJ
eurjchem-2303	207	29	evidence	evidence	NOUN
eurjchem-2303	207	30	to	to	PART
eurjchem-2303	207	31	proceed	proceed	VERB
eurjchem-2303	207	32	the	the	DET
eurjchem-2303	207	33	further	further	ADJ
eurjchem-2303	207	34	studies	study	NOUN
eurjchem-2303	207	35	on	on	ADP
eurjchem-2303	207	36	the	the	DET
eurjchem-2303	207	37	compound	compound	NOUN
eurjchem-2303	207	38	for	for	ADP
eurjchem-2303	207	39	future	future	ADJ
eurjchem-2303	207	40	cancer	cancer	NOUN
eurjchem-2303	207	41	-	-	PUNCT
eurjchem-2303	207	42	based	base	VERB
eurjchem-2303	207	43	activity	activity	NOUN
eurjchem-2303	207	44	.	.	PUNCT
eurjchem-2303	208	1	acknowledgments	acknowledgment	NOUN
eurjchem-2303	208	2	madhukar	madhukar	PROPN
eurjchem-2303	208	3	hemamalini	hemamalini	PROPN
eurjchem-2303	208	4	thanks	thank	NOUN
eurjchem-2303	208	5	the	the	DET
eurjchem-2303	208	6	science	science	NOUN
eurjchem-2303	208	7	and	and	CCONJ
eurjchem-2303	208	8	engineering	engineering	NOUN
eurjchem-2303	208	9	research	research	NOUN
eurjchem-2303	208	10	board	board	NOUN
eurjchem-2303	208	11	science	science	NOUN
eurjchem-2303	208	12	,	,	PUNCT
eurjchem-2303	208	13	international	international	ADJ
eurjchem-2303	208	14	research	research	NOUN
eurjchem-2303	208	15	experience	experience	NOUN
eurjchem-2303	208	16	(	(	PUNCT
eurjchem-2303	208	17	serb	serb	NOUN
eurjchem-2303	208	18	-	-	PUNCT
eurjchem-2303	208	19	ire	ire	NOUN
eurjchem-2303	208	20	)	)	PUNCT
eurjchem-2303	208	21	for	for	ADP
eurjchem-2303	208	22	financial	financial	ADJ
eurjchem-2303	208	23	support	support	NOUN
eurjchem-2303	208	24	;	;	PUNCT
eurjchem-2303	208	25	ref	ref	NOUN
eurjchem-2303	208	26	.	.	PUNCT
eurjchem-2303	209	1	no	no	INTJ
eurjchem-2303	209	2	.	.	PUNCT
eurjchem-2303	210	1	sir/2022/000011	sir/2022/000011	PROPN
eurjchem-2303	210	2	.	.	PUNCT
eurjchem-2303	211	1	anaglit	anaglit	PROPN
eurjchem-2303	211	2	catherine	catherine	PROPN
eurjchem-2303	211	3	paul	paul	PROPN
eurjchem-2303	211	4	thanks	thanks	PROPN
eurjchem-2303	211	5	mother	mother	PROPN
eurjchem-2303	211	6	teresa	teresa	PROPN
eurjchem-2303	211	7	women	women	PROPN
eurjchem-2303	211	8	’s	’s	PART
eurjchem-2303	211	9	university	university	PROPN
eurjchem-2303	211	10	,	,	PUNCT
eurjchem-2303	211	11	tamil	tamil	PROPN
eurjchem-2303	211	12	nadu	nadu	PROPN
eurjchem-2303	211	13	,	,	PUNCT
eurjchem-2303	211	14	india	india	PROPN
eurjchem-2303	211	15	,	,	PUNCT
eurjchem-2303	211	16	for	for	ADP
eurjchem-2303	211	17	financial	financial	ADJ
eurjchem-2303	211	18	support	support	NOUN
eurjchem-2303	211	19	.	.	PUNCT
eurjchem-2303	212	1	supporting	support	VERB
eurjchem-2303	212	2	information	information	NOUN
eurjchem-2303	212	3	ccdc-2145614	ccdc-2145614	NOUN
eurjchem-2303	212	4	contains	contain	VERB
eurjchem-2303	212	5	the	the	DET
eurjchem-2303	212	6	supplementary	supplementary	ADJ
eurjchem-2303	212	7	crystallographic	crystallographic	ADJ
eurjchem-2303	212	8	data	datum	NOUN
eurjchem-2303	212	9	for	for	ADP
eurjchem-2303	212	10	this	this	DET
eurjchem-2303	212	11	paper	paper	NOUN
eurjchem-2303	212	12	.	.	PUNCT
eurjchem-2303	213	1	these	these	DET
eurjchem-2303	213	2	data	datum	NOUN
eurjchem-2303	213	3	can	can	AUX
eurjchem-2303	213	4	be	be	AUX
eurjchem-2303	213	5	obtained	obtain	VERB
eurjchem-2303	213	6	free	free	ADJ
eurjchem-2303	213	7	of	of	ADP
eurjchem-2303	213	8	charge	charge	NOUN
eurjchem-2303	213	9	via	via	ADP
eurjchem-2303	213	10	www.ccdc.cam.ac.uk/	www.ccdc.cam.ac.uk/	ADP
eurjchem-2303	213	11	data_request	data_request	PROPN
eurjchem-2303	213	12	/	/	SYM
eurjchem-2303	213	13	cif	cif	PROPN
eurjchem-2303	213	14	,	,	PUNCT
eurjchem-2303	213	15	or	or	CCONJ
eurjchem-2303	213	16	by	by	ADP
eurjchem-2303	213	17	e	e	NOUN
eurjchem-2303	213	18	-	-	ADJ
eurjchem-2303	213	19	mailing	mailing	ADJ
eurjchem-2303	213	20	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2303	213	21	,	,	PUNCT
eurjchem-2303	213	22	or	or	CCONJ
eurjchem-2303	213	23	by	by	ADP
eurjchem-2303	213	24	contacting	contact	VERB
eurjchem-2303	213	25	the	the	DET
eurjchem-2303	213	26	cambridge	cambridge	PROPN
eurjchem-2303	213	27	crystallographic	crystallographic	PROPN
eurjchem-2303	213	28	data	data	PROPN
eurjchem-2303	213	29	centre	centre	NOUN
eurjchem-2303	213	30	,	,	PUNCT
eurjchem-2303	213	31	12	12	NUM
eurjchem-2303	213	32	union	union	NOUN
eurjchem-2303	213	33	road	road	NOUN
eurjchem-2303	213	34	,	,	PUNCT
eurjchem-2303	213	35	cambridge	cambridge	PROPN
eurjchem-2303	213	36	cb2	cb2	PROPN
eurjchem-2303	213	37	1ez	1ez	PROPN
eurjchem-2303	213	38	,	,	PUNCT
eurjchem-2303	213	39	uk	uk	PROPN
eurjchem-2303	213	40	;	;	PUNCT
eurjchem-2303	213	41	fax	fax	NOUN
eurjchem-2303	213	42	:	:	PUNCT
eurjchem-2303	213	43	+44(0)1223	+44(0)1223	PROPN
eurjchem-2303	213	44	-	-	PUNCT
eurjchem-2303	213	45	336033	336033	NUM
eurjchem-2303	213	46	.	.	PUNCT
eurjchem-2303	214	1	disclosure	disclosure	NOUN
eurjchem-2303	214	2	statement	statement	NOUN
eurjchem-2303	214	3	conflict	conflict	NOUN
eurjchem-2303	214	4	of	of	ADP
eurjchem-2303	214	5	interest	interest	NOUN
eurjchem-2303	214	6	:	:	PUNCT
eurjchem-2303	214	7	the	the	DET
eurjchem-2303	214	8	authors	author	NOUN
eurjchem-2303	214	9	declare	declare	VERB
eurjchem-2303	214	10	that	that	SCONJ
eurjchem-2303	214	11	they	they	PRON
eurjchem-2303	214	12	have	have	VERB
eurjchem-2303	214	13	no	no	DET
eurjchem-2303	214	14	conflict	conflict	NOUN
eurjchem-2303	214	15	of	of	ADP
eurjchem-2303	214	16	interest	interest	NOUN
eurjchem-2303	214	17	.	.	PUNCT
eurjchem-2303	215	1	ethical	ethical	ADJ
eurjchem-2303	215	2	approval	approval	NOUN
eurjchem-2303	215	3	:	:	PUNCT
eurjchem-2303	216	1	all	all	DET
eurjchem-2303	216	2	ethical	ethical	ADJ
eurjchem-2303	216	3	guidelines	guideline	NOUN
eurjchem-2303	216	4	have	have	AUX
eurjchem-2303	216	5	been	be	AUX
eurjchem-2303	216	6	adhered	adhere	VERB
eurjchem-2303	216	7	.	.	PUNCT
eurjchem-2303	217	1	sample	sample	NOUN
eurjchem-2303	217	2	availability	availability	NOUN
eurjchem-2303	217	3	:	:	PUNCT
eurjchem-2303	217	4	sample	sample	NOUN
eurjchem-2303	217	5	of	of	ADP
eurjchem-2303	217	6	the	the	DET
eurjchem-2303	217	7	2mba	2mba	PROPN
eurjchem-2303	217	8	is	be	AUX
eurjchem-2303	217	9	available	available	ADJ
eurjchem-2303	217	10	from	from	ADP
eurjchem-2303	217	11	the	the	DET
eurjchem-2303	217	12	author	author	NOUN
eurjchem-2303	217	13	.	.	PUNCT
eurjchem-2303	218	1	credit	credit	NOUN
eurjchem-2303	218	2	authorship	authorship	NOUN
eurjchem-2303	218	3	contribution	contribution	NOUN
eurjchem-2303	218	4	statement	statement	NOUN
eurjchem-2303	218	5	conceptualization	conceptualization	NOUN
eurjchem-2303	218	6	:	:	PUNCT
eurjchem-2303	218	7	madhukar	madhukar	NOUN
eurjchem-2303	218	8	hemamalini	hemamalini	PROPN
eurjchem-2303	218	9	;	;	PUNCT
eurjchem-2303	218	10	methodology	methodology	NOUN
eurjchem-2303	218	11	:	:	PUNCT
eurjchem-2303	218	12	suganya	suganya	PROPN
eurjchem-2303	218	13	murugan	murugan	PROPN
eurjchem-2303	218	14	,	,	PUNCT
eurjchem-2303	218	15	jayasudha	jayasudha	NOUN
eurjchem-2303	218	16	nehru	nehru	NOUN
eurjchem-2303	218	17	;	;	PUNCT
eurjchem-2303	218	18	software	software	NOUN
eurjchem-2303	218	19	:	:	PUNCT
eurjchem-2303	218	20	venkatachalam	venkatachalam	PROPN
eurjchem-2303	218	21	rajakannan	rajakannan	NOUN
eurjchem-2303	218	22	,	,	PUNCT
eurjchem-2303	218	23	prasanth	prasanth	ADJ
eurjchem-2303	218	24	gunasekaran	gunasekaran	NOUN
eurjchem-2303	218	25	,	,	PUNCT
eurjchem-2303	218	26	necmi	necmi	ADJ
eurjchem-2303	218	27	dege	dege	PROPN
eurjchem-2303	218	28	,	,	PUNCT
eurjchem-2303	218	29	emine	emine	PROPN
eurjchem-2303	218	30	berrin	berrin	PROPN
eurjchem-2303	218	31	cinar	cinar	PROPN
eurjchem-2303	218	32	;	;	PUNCT
eurjchem-2303	218	33	validation	validation	NOUN
eurjchem-2303	218	34	:	:	PUNCT
eurjchem-2303	218	35	madhukar	madhukar	NOUN
eurjchem-2303	218	36	hemamalini	hemamalini	PROPN
eurjchem-2303	218	37	,	,	PUNCT
eurjchem-2303	218	38	venkatachalam	venkatachalam	VERB
eurjchem-2303	218	39	rajakannan	rajakannan	NOUN
eurjchem-2303	218	40	,	,	PUNCT
eurjchem-2303	218	41	savaridasson	savaridasson	NOUN
eurjchem-2303	218	42	jose	jose	PROPN
eurjchem-2303	218	43	kavitha	kavitha	PROPN
eurjchem-2303	218	44	;	;	PUNCT
eurjchem-2303	218	45	formal	formal	ADJ
eurjchem-2303	218	46	analysis	analysis	NOUN
eurjchem-2303	218	47	:	:	PUNCT
eurjchem-2303	218	48	suganya	suganya	ADJ
eurjchem-2303	218	49	murugan	murugan	PROPN
eurjchem-2303	218	50	,	,	PUNCT
eurjchem-2303	218	51	anaglit	anaglit	PROPN
eurjchem-2303	218	52	catherine	catherine	PROPN
eurjchem-2303	218	53	paul	paul	PROPN
eurjchem-2303	218	54	,	,	PUNCT
eurjchem-2303	218	55	jayasudha	jayasudha	NOUN
eurjchem-2303	218	56	nehru	nehru	NOUN
eurjchem-2303	218	57	;	;	PUNCT
eurjchem-2303	218	58	investigation	investigation	NOUN
eurjchem-2303	218	59	:	:	PUNCT
eurjchem-2303	218	60	kaliyaperumal	kaliyaperumal	PROPN
eurjchem-2303	218	61	thanigaimani	thanigaimani	PROPN
eurjchem-2303	218	62	;	;	PUNCT
eurjchem-2303	218	63	resources	resource	NOUN
eurjchem-2303	218	64	:	:	PUNCT
eurjchem-2303	218	65	madhukar	madhukar	NOUN
eurjchem-2303	218	66	hemamalini	hemamalini	PROPN
eurjchem-2303	218	67	;	;	PUNCT
eurjchem-2303	218	68	data	datum	NOUN
eurjchem-2303	218	69	curation	curation	NOUN
eurjchem-2303	218	70	:	:	PUNCT
eurjchem-2303	218	71	necmi	necmi	PROPN
eurjchem-2303	218	72	dege	dege	PROPN
eurjchem-2303	218	73	,	,	PUNCT
eurjchem-2303	218	74	emine	emine	PROPN
eurjchem-2303	218	75	berrin	berrin	PROPN
eurjchem-2303	218	76	cinar	cinar	PROPN
eurjchem-2303	218	77	;	;	PUNCT
eurjchem-2303	218	78	writing	write	VERB
eurjchem-2303	218	79	original	original	ADJ
eurjchem-2303	218	80	draft	draft	NOUN
eurjchem-2303	218	81	:	:	PUNCT
eurjchem-2303	218	82	madhukar	madhukar	NOUN
eurjchem-2303	218	83	hemamalini	hemamalini	PROPN
eurjchem-2303	218	84	,	,	PUNCT
eurjchem-2303	218	85	suganya	suganya	ADJ
eurjchem-2303	218	86	murugan	murugan	PROPN
eurjchem-2303	218	87	;	;	PUNCT
eurjchem-2303	218	88	writing	write	VERB
eurjchem-2303	218	89	review	review	NOUN
eurjchem-2303	218	90	and	and	CCONJ
eurjchem-2303	218	91	editing	editing	NOUN
eurjchem-2303	218	92	:	:	PUNCT
eurjchem-2303	218	93	savaridasson	savaridasson	NOUN
eurjchem-2303	218	94	jose	jose	PROPN
eurjchem-2303	218	95	kavitha	kavitha	PROPN
eurjchem-2303	218	96	,	,	PUNCT
eurjchem-2303	218	97	madhukar	madhukar	NOUN
eurjchem-2303	218	98	hemamalini	hemamalini	NOUN
eurjchem-2303	218	99	;	;	PUNCT
eurjchem-2303	218	100	visualization	visualization	NOUN
eurjchem-2303	218	101	:	:	PUNCT
eurjchem-2303	218	102	suganya	suganya	PROPN
eurjchem-2303	218	103	murugan	murugan	PROPN
eurjchem-2303	218	104	,	,	PUNCT
eurjchem-2303	218	105	anaglit	anaglit	PROPN
eurjchem-2303	218	106	catherine	catherine	PROPN
eurjchem-2303	218	107	paul	paul	PROPN
eurjchem-2303	218	108	;	;	PUNCT
eurjchem-2303	218	109	funding	funding	NOUN
eurjchem-2303	218	110	acquisition	acquisition	NOUN
eurjchem-2303	218	111	:	:	PUNCT
eurjchem-2303	218	112	madhukar	madhukar	PROPN
eurjchem-2303	218	113	hemamalini	hemamalini	PROPN
eurjchem-2303	218	114	,	,	PUNCT
eurjchem-2303	218	115	anaglit	anaglit	PROPN
eurjchem-2303	218	116	catherine	catherine	PROPN
eurjchem-2303	218	117	paul	paul	PROPN
eurjchem-2303	218	118	;	;	PUNCT
eurjchem-2303	218	119	supervision	supervision	NOUN
eurjchem-2303	218	120	:	:	PUNCT
eurjchem-2303	218	121	madhukar	madhukar	NOUN
eurjchem-2303	218	122	hemamalini	hemamalini	PROPN
eurjchem-2303	218	123	;	;	PUNCT
eurjchem-2303	218	124	project	project	NOUN
eurjchem-2303	218	125	administration	administration	NOUN
eurjchem-2303	218	126	:	:	PUNCT
eurjchem-2303	218	127	madhukar	madhukar	PROPN
eurjchem-2303	218	128	hemamalini	hemamalini	PROPN
eurjchem-2303	218	129	.	.	PUNCT
eurjchem-2303	219	1	orcid	orcid	NOUN
eurjchem-2303	219	2	and	and	CCONJ
eurjchem-2303	219	3	email	email	VERB
eurjchem-2303	220	1	suganya	suganya	ADJ
eurjchem-2303	220	2	murugan	murugan	PROPN
eurjchem-2303	220	3	sugan.chemistns@gmail.com	sugan.chemistns@gmail.com	X
eurjchem-2303	220	4	https://orcid.org/0000-0001-9707-9998	https://orcid.org/0000-0001-9707-9998	PROPN
eurjchem-2303	220	5	prasanth	prasanth	VERB
eurjchem-2303	220	6	gunasekaran	gunasekaran	NOUN
eurjchem-2303	221	1	prasanthbiophysics@gmail.com	prasanthbiophysics@gmail.com	INTJ
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eurjchem-2303	221	3	jayasudha	jayasudha	NOUN
eurjchem-2303	221	4	nehru	nehru	NOUN
eurjchem-2303	221	5	sujijaya145@gmail.com	sujijaya145@gmail.com	X
eurjchem-2303	222	1	https://orcid.org/0000-0003-4694-5328	https://orcid.org/0000-0003-4694-5328	PROPN
eurjchem-2303	222	2	anaglit	anaglit	VERB
eurjchem-2303	222	3	catherine	catherine	PROPN
eurjchem-2303	222	4	paul	paul	PROPN
eurjchem-2303	222	5	acatherine.paul@gmail.com	acatherine.paul@gmail.com	PROPN
eurjchem-2303	222	6	https://orcid.org/0000-0002-5217-1616	https://orcid.org/0000-0002-5217-1616	PROPN
eurjchem-2303	222	7	necmi	necmi	PROPN
eurjchem-2303	222	8	dege	dege	PROPN
eurjchem-2303	222	9	necmid@omu.edu.tr	necmid@omu.edu.tr	PROPN
eurjchem-2303	222	10	https://orcid.org/0000-0003-0660-4721	https://orcid.org/0000-0003-0660-4721	PROPN
eurjchem-2303	222	11	emine	emine	PROPN
eurjchem-2303	222	12	berrin	berrin	PROPN
eurjchem-2303	222	13	cinar	cinar	PROPN
eurjchem-2303	222	14	emineberrin.cinar@omu.edu.tr	emineberrin.cinar@omu.edu.tr	ADV
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eurjchem-2303	222	16	savaridasson	savaridasson	NOUN
eurjchem-2303	222	17	jose	jose	PROPN
eurjchem-2303	222	18	kavitha	kavitha	PROPN
eurjchem-2303	223	1	josekavitha@gmail.com	josekavitha@gmail.com	PROPN
eurjchem-2303	224	1	https://orcid.org/0000-0002-6513-2210	https://orcid.org/0000-0002-6513-2210	PROPN
eurjchem-2303	224	2	kasthuri	kasthuri	PROPN
eurjchem-2303	224	3	balasubramani	balasubramani	PROPN
eurjchem-2303	224	4	manavaibala@gmail.com	manavaibala@gmail.com	PROPN
eurjchem-2303	224	5	https://orcid.org/0000-0003-1724-9999	https://orcid.org/0000-0003-1724-9999	PROPN
eurjchem-2303	224	6	kaliyaperumal	kaliyaperumal	PROPN
eurjchem-2303	224	7	thanigaimani	thanigaimani	PROPN
eurjchem-2303	224	8	thanigaimani81@gmail.com	thanigaimani81@gmail.com	PROPN
eurjchem-2303	225	1	https://orcid.org/0000-0002-4384-7848	https://orcid.org/0000-0002-4384-7848	PROPN
eurjchem-2303	225	2	venkatachalam	venkatachalam	VERB
eurjchem-2303	225	3	rajakannan	rajakannan	NOUN
eurjchem-2303	225	4	vrajakannan@gmail.com	vrajakannan@gmail.com	X
eurjchem-2303	226	1	https://orcid.org/0000-0002-4129-9227	https://orcid.org/0000-0002-4129-9227	PROPN
eurjchem-2303	226	2	madhukar	madhukar	NOUN
eurjchem-2303	226	3	hemamalini	hemamalini	PROPN
eurjchem-2303	226	4	hemamalini2k3@yahoo.com	hemamalini2k3@yahoo.com	PROPN
eurjchem-2303	226	5	hemamalini.ch@motherteresawomensuniv.ac.in	hemamalini.ch@motherteresawomensuniv.ac.in	NOUN
eurjchem-2303	226	6	https://orcid.org/0000-0001-8233-9451	https://orcid.org/0000-0001-8233-9451	PROPN
eurjchem-2303	226	7	references	reference	NOUN
eurjchem-2303	226	8	[	[	X
eurjchem-2303	226	9	1	1	NUM
eurjchem-2303	226	10	]	]	PUNCT
eurjchem-2303	226	11	.	.	PUNCT
eurjchem-2303	227	1	humphrey	humphrey	PROPN
eurjchem-2303	227	2	,	,	PUNCT
eurjchem-2303	227	3	j.	j.	PROPN
eurjchem-2303	227	4	m.	m.	PROPN
eurjchem-2303	227	5	;	;	PUNCT
eurjchem-2303	227	6	chamberlin	chamberlin	PROPN
eurjchem-2303	227	7	,	,	PUNCT
eurjchem-2303	227	8	a.	a.	PROPN
eurjchem-2303	227	9	r.	r.	PROPN
eurjchem-2303	227	10	chemical	chemical	PROPN
eurjchem-2303	227	11	synthesis	synthesis	NOUN
eurjchem-2303	227	12	of	of	ADP
eurjchem-2303	227	13	natural	natural	ADJ
eurjchem-2303	227	14	product	product	NOUN
eurjchem-2303	227	15	peptides	peptide	NOUN
eurjchem-2303	227	16	:	:	PUNCT
eurjchem-2303	227	17	coupling	couple	VERB
eurjchem-2303	227	18	methods	method	NOUN
eurjchem-2303	227	19	for	for	ADP
eurjchem-2303	227	20	the	the	DET
eurjchem-2303	227	21	incorporation	incorporation	NOUN
eurjchem-2303	227	22	of	of	ADP
eurjchem-2303	227	23	noncoded	noncode	VERB
eurjchem-2303	227	24	amino	amino	ADJ
eurjchem-2303	227	25	acids	acid	NOUN
eurjchem-2303	227	26	into	into	ADP
eurjchem-2303	227	27	peptides	peptide	NOUN
eurjchem-2303	227	28	.	.	PUNCT
eurjchem-2303	228	1	chem	chem	PROPN
eurjchem-2303	228	2	.	.	PUNCT
eurjchem-2303	229	1	rev	rev	PROPN
eurjchem-2303	229	2	.	.	PROPN
eurjchem-2303	229	3	1997	1997	NUM
eurjchem-2303	229	4	,	,	PUNCT
eurjchem-2303	229	5	97	97	NUM
eurjchem-2303	229	6	,	,	PUNCT
eurjchem-2303	229	7	2243–2266	2243–2266	NUM
eurjchem-2303	229	8	.	.	PUNCT
eurjchem-2303	230	1	[	[	X
eurjchem-2303	230	2	2	2	NUM
eurjchem-2303	230	3	]	]	PUNCT
eurjchem-2303	230	4	.	.	PUNCT
eurjchem-2303	231	1	ghose	ghose	PROPN
eurjchem-2303	231	2	,	,	PUNCT
eurjchem-2303	231	3	a.	a.	PROPN
eurjchem-2303	231	4	k.	k.	PROPN
eurjchem-2303	231	5	;	;	PUNCT
eurjchem-2303	231	6	viswanadhan	viswanadhan	ADV
eurjchem-2303	231	7	,	,	PUNCT
eurjchem-2303	231	8	v.	v.	ADP
eurjchem-2303	231	9	n.	n.	NOUN
eurjchem-2303	231	10	;	;	PUNCT
eurjchem-2303	231	11	wendoloski	wendoloski	ADJ
eurjchem-2303	231	12	,	,	PUNCT
eurjchem-2303	231	13	j.	j.	PROPN
eurjchem-2303	231	14	j.	j.	PROPN
eurjchem-2303	231	15	a	a	DET
eurjchem-2303	231	16	knowledge	knowledge	NOUN
eurjchem-2303	231	17	-	-	PUNCT
eurjchem-2303	231	18	based	base	VERB
eurjchem-2303	231	19	approach	approach	NOUN
eurjchem-2303	231	20	in	in	ADP
eurjchem-2303	231	21	designing	design	VERB
eurjchem-2303	231	22	combinatorial	combinatorial	ADJ
eurjchem-2303	231	23	or	or	CCONJ
eurjchem-2303	231	24	medicinal	medicinal	ADJ
eurjchem-2303	231	25	chemistry	chemistry	NOUN
eurjchem-2303	231	26	libraries	library	NOUN
eurjchem-2303	231	27	for	for	ADP
eurjchem-2303	231	28	drug	drug	NOUN
eurjchem-2303	231	29	discovery	discovery	NOUN
eurjchem-2303	231	30	.	.	PUNCT
eurjchem-2303	232	1	1	1	X
eurjchem-2303	232	2	.	.	X
eurjchem-2303	232	3	a	a	DET
eurjchem-2303	232	4	qualitative	qualitative	ADJ
eurjchem-2303	232	5	and	and	CCONJ
eurjchem-2303	232	6	quantitative	quantitative	ADJ
eurjchem-2303	232	7	characterization	characterization	NOUN
eurjchem-2303	232	8	of	of	ADP
eurjchem-2303	232	9	known	know	VERB
eurjchem-2303	232	10	drug	drug	NOUN
eurjchem-2303	232	11	databases	database	NOUN
eurjchem-2303	232	12	.	.	PUNCT
eurjchem-2303	233	1	j.	j.	PROPN
eurjchem-2303	233	2	comb	comb	PROPN
eurjchem-2303	233	3	.	.	PUNCT
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eurjchem-2303	234	2	.	.	PUNCT
eurjchem-2303	235	1	1999	1999	NUM
eurjchem-2303	235	2	,	,	PUNCT
eurjchem-2303	235	3	1	1	NUM
eurjchem-2303	235	4	,	,	PUNCT
eurjchem-2303	235	5	55–68	55–68	NUM
eurjchem-2303	235	6	.	.	PUNCT
eurjchem-2303	236	1	[	[	X
eurjchem-2303	236	2	3	3	NUM
eurjchem-2303	236	3	]	]	PUNCT
eurjchem-2303	236	4	.	.	PUNCT
eurjchem-2303	237	1	walsh	walsh	PROPN
eurjchem-2303	237	2	,	,	PUNCT
eurjchem-2303	237	3	g.	g.	PROPN
eurjchem-2303	237	4	pharmaceutical	pharmaceutical	PROPN
eurjchem-2303	237	5	biotechnology	biotechnology	NOUN
eurjchem-2303	237	6	:	:	PUNCT
eurjchem-2303	237	7	concepts	concept	NOUN
eurjchem-2303	237	8	and	and	CCONJ
eurjchem-2303	237	9	applications	application	NOUN
eurjchem-2303	237	10	;	;	PUNCT
eurjchem-2303	237	11	1st	1st	ADJ
eurjchem-2303	237	12	ed	ed	NOUN
eurjchem-2303	237	13	.	.	PUNCT
eurjchem-2303	237	14	;	;	PUNCT
eurjchem-2303	237	15	john	john	PROPN
eurjchem-2303	237	16	wiley	wiley	PROPN
eurjchem-2303	237	17	&	&	CCONJ
eurjchem-2303	237	18	sons	sons	PROPN
eurjchem-2303	237	19	:	:	PUNCT
eurjchem-2303	237	20	nashville	nashville	PROPN
eurjchem-2303	237	21	,	,	PUNCT
eurjchem-2303	237	22	tn	tn	PROPN
eurjchem-2303	237	23	,	,	PUNCT
eurjchem-2303	237	24	2013	2013	NUM
eurjchem-2303	237	25	.	.	PUNCT
eurjchem-2303	238	1	[	[	X
eurjchem-2303	238	2	4	4	NUM
eurjchem-2303	238	3	]	]	PUNCT
eurjchem-2303	238	4	.	.	PUNCT
eurjchem-2303	239	1	khalid	khalid	PROPN
eurjchem-2303	239	2	,	,	PUNCT
eurjchem-2303	239	3	h.	h.	PROPN
eurjchem-2303	239	4	;	;	PUNCT
eurjchem-2303	239	5	aziz	aziz	PROPN
eurjchem-2303	239	6	-	-	PUNCT
eurjchem-2303	239	7	ur	ur	INTJ
eurjchem-2303	239	8	-	-	NOUN
eurjchem-2303	239	9	rehman	rehman	NOUN
eurjchem-2303	239	10	;	;	PUNCT
eurjchem-2303	239	11	abbasi	abbasi	PROPN
eurjchem-2303	239	12	,	,	PUNCT
eurjchem-2303	239	13	m.	m.	NOUN
eurjchem-2303	239	14	a.	a.	PROPN
eurjchem-2303	239	15	;	;	PUNCT
eurjchem-2303	239	16	malik	malik	PROPN
eurjchem-2303	239	17	,	,	PUNCT
eurjchem-2303	239	18	a.	a.	NOUN
eurjchem-2303	239	19	;	;	PUNCT
eurjchem-2303	239	20	rasool	rasool	PROPN
eurjchem-2303	239	21	,	,	PUNCT
eurjchem-2303	239	22	s.	s.	PROPN
eurjchem-2303	239	23	;	;	PUNCT
eurjchem-2303	239	24	nafeesa	nafeesa	PROPN
eurjchem-2303	239	25	,	,	PUNCT
eurjchem-2303	239	26	k.	k.	PROPN
eurjchem-2303	239	27	;	;	PUNCT
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eurjchem-2303	239	29	,	,	PUNCT
eurjchem-2303	239	30	i.	i.	PROPN
eurjchem-2303	239	31	;	;	PUNCT
eurjchem-2303	239	32	afzal	afzal	PROPN
eurjchem-2303	239	33	,	,	PUNCT
eurjchem-2303	239	34	s.	s.	PROPN
eurjchem-2303	239	35	synthesis	synthesis	PROPN
eurjchem-2303	239	36	,	,	PUNCT
eurjchem-2303	239	37	spectral	spectral	ADJ
eurjchem-2303	239	38	analysis	analysis	NOUN
eurjchem-2303	239	39	and	and	CCONJ
eurjchem-2303	239	40	anti	anti	ADJ
eurjchem-2303	239	41	-	-	ADJ
eurjchem-2303	239	42	bacterial	bacterial	ADJ
eurjchem-2303	239	43	study	study	NOUN
eurjchem-2303	239	44	of	of	ADP
eurjchem-2303	239	45	n	n	CCONJ
eurjchem-2303	239	46	-substituted	-substituted	ADJ
eurjchem-2303	239	47	derivatives	derivative	NOUN
eurjchem-2303	239	48	of	of	ADP
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eurjchem-2303	239	50	)	)	PUNCT
eurjchem-2303	239	51	piperidin-4	piperidin-4	NOUN
eurjchem-2303	239	52	-	-	PUNCT
eurjchem-2303	239	53	yl)-1,3,4	yl)-1,3,4	NOUN
eurjchem-2303	239	54	-	-	PUNCT
eurjchem-2303	239	55	oxadiazol-2	oxadiazol-2	NUM
eurjchem-2303	239	56	-	-	PUNCT
eurjchem-2303	239	57	ylthio)acetamide	ylthio)acetamide	NOUN
eurjchem-2303	239	58	.	.	PUNCT
eurjchem-2303	240	1	j.	j.	PROPN
eurjchem-2303	240	2	saudi	saudi	PROPN
eurjchem-2303	240	3	chem	chem	PROPN
eurjchem-2303	240	4	.	.	PUNCT
eurjchem-2303	241	1	soc	soc	PROPN
eurjchem-2303	241	2	.	.	PUNCT
eurjchem-2303	242	1	2016	2016	NUM
eurjchem-2303	242	2	,	,	PUNCT
eurjchem-2303	242	3	20	20	NUM
eurjchem-2303	242	4	,	,	PUNCT
eurjchem-2303	242	5	s615	s615	NUM
eurjchem-2303	242	6	–	–	PUNCT
eurjchem-2303	242	7	s623	s623	PROPN
eurjchem-2303	242	8	.	.	PUNCT
eurjchem-2303	243	1	[	[	X
eurjchem-2303	243	2	5	5	NUM
eurjchem-2303	243	3	]	]	PUNCT
eurjchem-2303	243	4	.	.	PUNCT
eurjchem-2303	243	5	autore	autore	PROPN
eurjchem-2303	243	6	,	,	PUNCT
eurjchem-2303	243	7	g.	g.	PROPN
eurjchem-2303	243	8	;	;	PUNCT
eurjchem-2303	243	9	caruso	caruso	PROPN
eurjchem-2303	243	10	,	,	PUNCT
eurjchem-2303	243	11	a.	a.	NOUN
eurjchem-2303	243	12	;	;	PUNCT
eurjchem-2303	243	13	marzocco	marzocco	PROPN
eurjchem-2303	243	14	,	,	PUNCT
eurjchem-2303	243	15	s.	s.	PROPN
eurjchem-2303	243	16	;	;	PUNCT
eurjchem-2303	243	17	nicolaus	nicolaus	PROPN
eurjchem-2303	243	18	,	,	PUNCT
eurjchem-2303	243	19	b.	b.	PROPN
eurjchem-2303	243	20	;	;	PUNCT
eurjchem-2303	243	21	palladino	palladino	PROPN
eurjchem-2303	243	22	,	,	PUNCT
eurjchem-2303	243	23	c.	c.	PROPN
eurjchem-2303	243	24	;	;	PUNCT
eurjchem-2303	243	25	pinto	pinto	NOUN
eurjchem-2303	243	26	,	,	PUNCT
eurjchem-2303	243	27	a.	a.	NOUN
eurjchem-2303	243	28	;	;	PUNCT
eurjchem-2303	243	29	popolo	popolo	ADJ
eurjchem-2303	243	30	,	,	PUNCT
eurjchem-2303	243	31	a.	a.	NOUN
eurjchem-2303	243	32	;	;	PUNCT
eurjchem-2303	243	33	sinicropi	sinicropi	PROPN
eurjchem-2303	243	34	,	,	PUNCT
eurjchem-2303	243	35	m.	m.	PROPN
eurjchem-2303	243	36	s.	s.	PROPN
eurjchem-2303	243	37	;	;	PUNCT
eurjchem-2303	243	38	tommonaro	tommonaro	NOUN
eurjchem-2303	243	39	,	,	PUNCT
eurjchem-2303	243	40	g.	g.	PROPN
eurjchem-2303	243	41	;	;	PUNCT
eurjchem-2303	243	42	saturnino	saturnino	PROPN
eurjchem-2303	243	43	,	,	PUNCT
eurjchem-2303	243	44	c.	c.	PROPN
eurjchem-2303	243	45	acetamide	acetamide	PROPN
eurjchem-2303	243	46	derivatives	derivative	NOUN
eurjchem-2303	243	47	with	with	ADP
eurjchem-2303	243	48	antioxidant	antioxidant	ADJ
eurjchem-2303	243	49	activity	activity	NOUN
eurjchem-2303	243	50	and	and	CCONJ
eurjchem-2303	243	51	potential	potential	ADJ
eurjchem-2303	243	52	anti	anti	ADJ
eurjchem-2303	243	53	-	-	ADJ
eurjchem-2303	243	54	inflammatory	inflammatory	ADJ
eurjchem-2303	243	55	activity	activity	NOUN
eurjchem-2303	243	56	.	.	PUNCT
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eurjchem-2303	244	2	2010	2010	NUM
eurjchem-2303	244	3	,	,	PUNCT
eurjchem-2303	244	4	15	15	NUM
eurjchem-2303	244	5	,	,	PUNCT
eurjchem-2303	244	6	2028–2038	2028–2038	NUM
eurjchem-2303	244	7	.	.	PUNCT
eurjchem-2303	245	1	[	[	X
eurjchem-2303	245	2	6	6	NUM
eurjchem-2303	245	3	]	]	PUNCT
eurjchem-2303	245	4	.	.	PUNCT
eurjchem-2303	246	1	hazra	hazra	PROPN
eurjchem-2303	246	2	,	,	PUNCT
eurjchem-2303	246	3	b.	b.	PROPN
eurjchem-2303	246	4	;	;	PUNCT
eurjchem-2303	246	5	pore	pore	VERB
eurjchem-2303	246	6	,	,	PUNCT
eurjchem-2303	246	7	v.	v.	ADV
eurjchem-2303	246	8	;	;	PUNCT
eurjchem-2303	246	9	dey	dey	PROPN
eurjchem-2303	246	10	,	,	PUNCT
eurjchem-2303	246	11	s.	s.	PROPN
eurjchem-2303	246	12	;	;	PUNCT
eurjchem-2303	246	13	datta	datta	PROPN
eurjchem-2303	246	14	,	,	PUNCT
eurjchem-2303	246	15	s.	s.	PROPN
eurjchem-2303	246	16	;	;	PUNCT
eurjchem-2303	246	17	darokar	darokar	NOUN
eurjchem-2303	246	18	,	,	PUNCT
eurjchem-2303	246	19	m.	m.	NOUN
eurjchem-2303	246	20	;	;	PUNCT
eurjchem-2303	246	21	saikia	saikia	PROPN
eurjchem-2303	246	22	,	,	PUNCT
eurjchem-2303	246	23	d.	d.	PROPN
eurjchem-2303	246	24	;	;	PUNCT
eurjchem-2303	246	25	khanuja	khanuja	PROPN
eurjchem-2303	246	26	,	,	PUNCT
eurjchem-2303	246	27	s.	s.	PROPN
eurjchem-2303	246	28	p.	p.	PROPN
eurjchem-2303	246	29	s.	s.	PROPN
eurjchem-2303	246	30	;	;	PUNCT
eurjchem-2303	246	31	thakur	thakur	PROPN
eurjchem-2303	246	32	,	,	PUNCT
eurjchem-2303	246	33	a.	a.	NOUN
eurjchem-2303	246	34	bile	bile	NOUN
eurjchem-2303	246	35	acid	acid	NOUN
eurjchem-2303	246	36	amides	amide	NOUN
eurjchem-2303	246	37	derived	derive	VERB
eurjchem-2303	246	38	from	from	ADP
eurjchem-2303	246	39	chiral	chiral	ADJ
eurjchem-2303	246	40	amino	amino	NOUN
eurjchem-2303	246	41	alcohols	alcohol	NOUN
eurjchem-2303	246	42	:	:	PUNCT
eurjchem-2303	246	43	novel	novel	ADJ
eurjchem-2303	246	44	antimicrobials	antimicrobial	NOUN
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eurjchem-2303	246	46	antifungals	antifungal	NOUN
eurjchem-2303	246	47	.	.	PUNCT
eurjchem-2303	247	1	bioorg	bioorg	PROPN
eurjchem-2303	247	2	.	.	PUNCT
eurjchem-2303	248	1	med	med	PROPN
eurjchem-2303	248	2	.	.	PROPN
eurjchem-2303	248	3	chem	chem	PROPN
eurjchem-2303	248	4	.	.	PUNCT
eurjchem-2303	249	1	lett	lett	PROPN
eurjchem-2303	249	2	.	.	PUNCT
eurjchem-2303	250	1	2004	2004	NUM
eurjchem-2303	250	2	,	,	PUNCT
eurjchem-2303	250	3	14	14	NUM
eurjchem-2303	250	4	,	,	PUNCT
eurjchem-2303	250	5	773–777	773–777	NUM
eurjchem-2303	250	6	.	.	PUNCT
eurjchem-2303	251	1	[	[	X
eurjchem-2303	251	2	7	7	NUM
eurjchem-2303	251	3	]	]	PUNCT
eurjchem-2303	251	4	.	.	PUNCT
eurjchem-2303	251	5	sawant	sawant	PROPN
eurjchem-2303	251	6	,	,	PUNCT
eurjchem-2303	251	7	r.	r.	PROPN
eurjchem-2303	251	8	;	;	PUNCT
eurjchem-2303	251	9	kawade	kawade	NOUN
eurjchem-2303	251	10	,	,	PUNCT
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eurjchem-2303	251	12	synthesis	synthesis	NOUN
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eurjchem-2303	251	15	evaluation	evaluation	NOUN
eurjchem-2303	251	16	of	of	ADP
eurjchem-2303	251	17	some	some	DET
eurjchem-2303	251	18	novel	novel	ADJ
eurjchem-2303	251	19	2	2	NUM
eurjchem-2303	251	20	-	-	PUNCT
eurjchem-2303	251	21	phenyl	phenyl	NOUN
eurjchem-2303	251	22	benzimidazole-1	benzimidazole-1	NOUN
eurjchem-2303	251	23	-	-	PUNCT
eurjchem-2303	251	24	acetamide	acetamide	NOUN
eurjchem-2303	251	25	derivatives	derivative	NOUN
eurjchem-2303	251	26	as	as	ADP
eurjchem-2303	251	27	potential	potential	ADJ
eurjchem-2303	251	28	anthelmintic	anthelmintic	ADJ
eurjchem-2303	251	29	agents	agent	NOUN
eurjchem-2303	251	30	.	.	PUNCT
eurjchem-2303	252	1	acta	acta	PROPN
eurjchem-2303	252	2	pharm	pharm	PROPN
eurjchem-2303	252	3	.	.	PUNCT
eurjchem-2303	253	1	2011	2011	NUM
eurjchem-2303	253	2	,	,	PUNCT
eurjchem-2303	253	3	61	61	NUM
eurjchem-2303	253	4	,	,	PUNCT
eurjchem-2303	253	5	353–361	353–361	NUM
eurjchem-2303	253	6	.	.	PUNCT
eurjchem-2303	254	1	[	[	X
eurjchem-2303	254	2	8	8	NUM
eurjchem-2303	254	3	]	]	PUNCT
eurjchem-2303	254	4	.	.	PUNCT
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eurjchem-2303	255	2	,	,	PUNCT
eurjchem-2303	255	3	j.	j.	PROPN
eurjchem-2303	255	4	;	;	PUNCT
eurjchem-2303	255	5	yu	yu	PROPN
eurjchem-2303	255	6	,	,	PUNCT
eurjchem-2303	255	7	m.	m.	NOUN
eurjchem-2303	255	8	;	;	PUNCT
eurjchem-2303	255	9	yu	yu	PROPN
eurjchem-2303	255	10	,	,	PUNCT
eurjchem-2303	255	11	p.	p.	PROPN
eurjchem-2303	255	12	;	;	PUNCT
eurjchem-2303	255	13	xu	xu	INTJ
eurjchem-2303	255	14	,	,	PUNCT
eurjchem-2303	255	15	y.	y.	NOUN
eurjchem-2303	255	16	synthesis	synthesis	NOUN
eurjchem-2303	255	17	and	and	CCONJ
eurjchem-2303	255	18	antimicrobial	antimicrobial	ADJ
eurjchem-2303	255	19	activity	activity	NOUN
eurjchem-2303	255	20	of	of	ADP
eurjchem-2303	255	21	novel	novel	NOUN
eurjchem-2303	255	22	benzisothiazolin-3	benzisothiazolin-3	PROPN
eurjchem-2303	255	23	-	-	PUNCT
eurjchem-2303	255	24	one	one	NUM
eurjchem-2303	255	25	acetamide	acetamide	NOUN
eurjchem-2303	255	26	derivatives	derivative	NOUN
eurjchem-2303	255	27	.	.	PUNCT
eurjchem-2303	256	1	asian	asian	PROPN
eurjchem-2303	256	2	j.	j.	PROPN
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eurjchem-2303	256	4	.	.	PUNCT
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eurjchem-2303	257	2	,	,	PUNCT
eurjchem-2303	257	3	26	26	NUM
eurjchem-2303	257	4	,	,	PUNCT
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eurjchem-2303	257	6	.	.	PUNCT
eurjchem-2303	258	1	[	[	X
eurjchem-2303	258	2	9	9	NUM
eurjchem-2303	258	3	]	]	PUNCT
eurjchem-2303	258	4	.	.	PUNCT
eurjchem-2303	259	1	shridhar	shridhar	PROPN
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eurjchem-2303	259	3	,	,	PUNCT
eurjchem-2303	259	4	n.	n.	PROPN
eurjchem-2303	259	5	;	;	PUNCT
eurjchem-2303	259	6	mahendra	mahendra	PROPN
eurjchem-2303	259	7	,	,	PUNCT
eurjchem-2303	259	8	g.	g.	PROPN
eurjchem-2303	259	9	s.	s.	PROPN
eurjchem-2303	259	10	;	;	PUNCT
eurjchem-2303	259	11	aggarwal	aggarwal	NOUN
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eurjchem-2303	259	13	n.	n.	PROPN
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eurjchem-2303	259	15	;	;	PUNCT
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eurjchem-2303	259	17	,	,	PUNCT
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eurjchem-2303	259	42	bases	basis	NOUN
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eurjchem-2303	259	49	.	.	PUNCT
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eurjchem-2303	260	2	.	.	PUNCT
eurjchem-2303	261	1	j.	j.	PROPN
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eurjchem-2303	262	6	,	,	PUNCT
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eurjchem-2303	263	1	[	[	X
eurjchem-2303	263	2	10	10	NUM
eurjchem-2303	263	3	]	]	PUNCT
eurjchem-2303	263	4	.	.	PUNCT
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eurjchem-2303	264	4	;	;	PUNCT
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eurjchem-2303	264	21	,	,	PUNCT
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eurjchem-2303	264	23	-	-	PUNCT
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eurjchem-2303	264	26	medicinal	medicinal	ADJ
eurjchem-2303	264	27	chemistry	chemistry	NOUN
eurjchem-2303	264	28	friendliness	friendliness	NOUN
eurjchem-2303	264	29	of	of	ADP
eurjchem-2303	264	30	small	small	ADJ
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eurjchem-2303	264	32	.	.	PUNCT
eurjchem-2303	265	1	sci	sci	PROPN
eurjchem-2303	265	2	.	.	PROPN
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eurjchem-2303	265	4	.	.	PROPN
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eurjchem-2303	265	6	,	,	PUNCT
eurjchem-2303	265	7	7	7	NUM
eurjchem-2303	265	8	,	,	PUNCT
eurjchem-2303	265	9	42717	42717	NUM
eurjchem-2303	265	10	.	.	PUNCT
eurjchem-2303	266	1	[	[	X
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eurjchem-2303	266	3	]	]	PUNCT
eurjchem-2303	266	4	.	.	PUNCT
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eurjchem-2303	267	3	d.	d.	PROPN
eurjchem-2303	267	4	a.	a.	PROPN
eurjchem-2303	267	5	;	;	PUNCT
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eurjchem-2303	267	7	,	,	PUNCT
eurjchem-2303	267	8	a.	a.	NOUN
eurjchem-2303	267	9	a.	a.	NOUN
eurjchem-2303	267	10	;	;	PUNCT
eurjchem-2303	267	11	gloriozova	gloriozova	PROPN
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eurjchem-2303	267	13	t.	t.	PROPN
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eurjchem-2303	267	15	;	;	PUNCT
eurjchem-2303	267	16	rudik	rudik	NOUN
eurjchem-2303	267	17	,	,	PUNCT
eurjchem-2303	267	18	a.	a.	NOUN
eurjchem-2303	267	19	v.	v.	PROPN
eurjchem-2303	267	20	;	;	PUNCT
eurjchem-2303	267	21	druzhilovskii	druzhilovskii	PROPN
eurjchem-2303	267	22	,	,	PUNCT
eurjchem-2303	267	23	d.	d.	PROPN
eurjchem-2303	267	24	s.	s.	PROPN
eurjchem-2303	267	25	;	;	PUNCT
eurjchem-2303	268	1	pogodin	pogodin	PROPN
eurjchem-2303	268	2	,	,	PUNCT
eurjchem-2303	268	3	p.	p.	NOUN
eurjchem-2303	268	4	v.	v.	PROPN
eurjchem-2303	268	5	;	;	PUNCT
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eurjchem-2303	268	7	,	,	PUNCT
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eurjchem-2303	268	21	pass	pass	NOUN
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eurjchem-2303	268	23	web	web	NOUN
eurjchem-2303	268	24	resource	resource	NOUN
eurjchem-2303	268	25	.	.	PUNCT
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eurjchem-2303	270	2	.	.	PUNCT
eurjchem-2303	271	1	compd	compd	PROPN
eurjchem-2303	271	2	.	.	PUNCT
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eurjchem-2303	272	2	n.	n.	PROPN
eurjchem-2303	272	3	y.	y.	PROPN
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eurjchem-2303	272	6	,	,	PUNCT
eurjchem-2303	272	7	50	50	NUM
eurjchem-2303	272	8	,	,	PUNCT
eurjchem-2303	272	9	444–457	444–457	NUM
eurjchem-2303	272	10	.	.	PUNCT
eurjchem-2303	273	1	[	[	X
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eurjchem-2303	273	3	]	]	PUNCT
eurjchem-2303	273	4	.	.	PUNCT
eurjchem-2303	274	1	morris	morris	PROPN
eurjchem-2303	274	2	,	,	PUNCT
eurjchem-2303	274	3	g.	g.	PROPN
eurjchem-2303	274	4	m.	m.	PROPN
eurjchem-2303	274	5	;	;	PUNCT
eurjchem-2303	274	6	huey	huey	PROPN
eurjchem-2303	274	7	,	,	PUNCT
eurjchem-2303	274	8	r.	r.	PROPN
eurjchem-2303	274	9	;	;	PUNCT
eurjchem-2303	274	10	lindstrom	lindstrom	PROPN
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eurjchem-2303	274	13	;	;	PUNCT
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eurjchem-2303	274	17	f.	f.	PROPN
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eurjchem-2303	274	19	belew	belew	PROPN
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eurjchem-2303	274	21	r.	r.	PROPN
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eurjchem-2303	274	26	d.	d.	PROPN
eurjchem-2303	274	27	s.	s.	PROPN
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eurjchem-2303	274	37	automated	automate	VERB
eurjchem-2303	274	38	docking	docking	NOUN
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eurjchem-2303	274	43	.	.	PUNCT
eurjchem-2303	275	1	j.	j.	PROPN
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eurjchem-2303	277	2	,	,	PUNCT
eurjchem-2303	277	3	30	30	NUM
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eurjchem-2303	277	6	.	.	PUNCT
eurjchem-2303	278	1	[	[	X
eurjchem-2303	278	2	13	13	NUM
eurjchem-2303	278	3	]	]	PUNCT
eurjchem-2303	278	4	.	.	PUNCT
eurjchem-2303	279	1	karlberg	karlberg	PROPN
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eurjchem-2303	279	3	t.	t.	PROPN
eurjchem-2303	279	4	;	;	PUNCT
eurjchem-2303	279	5	markova	markova	X
eurjchem-2303	279	6	,	,	PUNCT
eurjchem-2303	279	7	n.	n.	NOUN
eurjchem-2303	279	8	;	;	PUNCT
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eurjchem-2303	279	10	,	,	PUNCT
eurjchem-2303	279	11	i.	i.	PROPN
eurjchem-2303	279	12	;	;	PUNCT
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eurjchem-2303	279	15	m.	m.	NOUN
eurjchem-2303	279	16	;	;	PUNCT
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eurjchem-2303	279	18	,	,	PUNCT
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eurjchem-2303	279	21	weigelt	weigelt	PROPN
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eurjchem-2303	281	2	,	,	PUNCT
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eurjchem-2303	282	2	14	14	NUM
eurjchem-2303	282	3	]	]	SYM
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eurjchem-2303	282	8	;	;	PUNCT
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eurjchem-2303	282	10	,	,	PUNCT
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eurjchem-2303	282	12	;	;	PUNCT
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eurjchem-2303	282	14	,	,	PUNCT
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eurjchem-2303	282	16	;	;	PUNCT
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eurjchem-2303	282	19	p.	p.	PROPN
eurjchem-2303	282	20	b.	b.	PROPN
eurjchem-2303	282	21	;	;	PUNCT
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eurjchem-2303	282	29	t.	t.	PROPN
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eurjchem-2303	282	34	s.	s.	PROPN
eurjchem-2303	282	35	;	;	PUNCT
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eurjchem-2303	282	37	,	,	PUNCT
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eurjchem-2303	282	43	;	;	PUNCT
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eurjchem-2303	283	1	j.	j.	PROPN
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eurjchem-2303	284	2	.	.	PUNCT
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eurjchem-2303	285	2	,	,	PUNCT
eurjchem-2303	285	3	296	296	NUM
eurjchem-2303	285	4	,	,	PUNCT
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eurjchem-2303	285	6	.	.	PUNCT
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eurjchem-2303	291	13	(	(	PUNCT
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eurjchem-2303	291	17	2022	2022	NUM
eurjchem-2303	291	18	)	)	PUNCT
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eurjchem-2303	291	20	-	-	SYM
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eurjchem-2303	291	23	–	–	PUNCT
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eurjchem-2303	292	3	x.	x.	PROPN
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eurjchem-2303	292	7	r.	r.	PROPN
eurjchem-2303	292	8	;	;	PUNCT
eurjchem-2303	292	9	zhang	zhang	PROPN
eurjchem-2303	292	10	,	,	PUNCT
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eurjchem-2303	292	12	;	;	PUNCT
eurjchem-2303	292	13	zheng	zheng	PROPN
eurjchem-2303	292	14	,	,	PUNCT
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eurjchem-2303	292	16	;	;	PUNCT
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eurjchem-2303	292	23	h.	h.	PROPN
eurjchem-2303	292	24	;	;	PUNCT
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eurjchem-2303	292	28	;	;	PUNCT
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eurjchem-2303	292	36	c	c	NOUN
eurjchem-2303	292	37	-	-	PUNCT
eurjchem-2303	292	38	h	h	NOUN
eurjchem-2303	292	39	alkenylation	alkenylation	NOUN
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eurjchem-2303	292	41	by	by	ADP
eurjchem-2303	292	42	pentafluorobenzoyl	pentafluorobenzoyl	PROPN
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eurjchem-2303	294	2	.	.	PROPN
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eurjchem-2303	295	2	,	,	PUNCT
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eurjchem-2303	295	4	,	,	PUNCT
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eurjchem-2303	295	6	–	–	PUNCT
eurjchem-2303	295	7	1006	1006	NUM
eurjchem-2303	295	8	.	.	PUNCT
eurjchem-2303	296	1	[	[	X
eurjchem-2303	296	2	16	16	NUM
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eurjchem-2303	296	4	.	.	PUNCT
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eurjchem-2303	297	4	;	;	PUNCT
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eurjchem-2303	297	7	t.	t.	PROPN
eurjchem-2303	297	8	;	;	PUNCT
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eurjchem-2303	297	30	.	.	PUNCT
eurjchem-2303	298	1	j.	j.	PROPN
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eurjchem-2303	300	2	.	.	PUNCT
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eurjchem-2303	302	4	.	.	PUNCT
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eurjchem-2303	303	2	,	,	PUNCT
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eurjchem-2303	303	4	;	;	PUNCT
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eurjchem-2303	306	6	.	.	PUNCT
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eurjchem-2303	307	4	.	.	PUNCT
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eurjchem-2303	307	9	.	.	PUNCT
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eurjchem-2303	308	2	.	.	PUNCT
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eurjchem-2303	310	4	.	.	PUNCT
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eurjchem-2303	311	5	.	.	PUNCT
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eurjchem-2303	317	4	.	.	PUNCT
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eurjchem-2303	318	10	.	.	PUNCT
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eurjchem-2303	321	2	.	.	PUNCT
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eurjchem-2303	323	4	.	.	PUNCT
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eurjchem-2303	328	9	version	version	NOUN
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eurjchem-2303	328	11	ortep	ortep	NOUN
eurjchem-2303	328	12	-	-	PUNCT
eurjchem-2303	328	13	iii	iii	NOUN
eurjchem-2303	328	14	with	with	ADP
eurjchem-2303	328	15	a	a	DET
eurjchem-2303	328	16	graphical	graphical	ADJ
eurjchem-2303	328	17	user	user	NOUN
eurjchem-2303	328	18	interface	interface	NOUN
eurjchem-2303	328	19	(	(	PUNCT
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eurjchem-2303	328	22	.	.	PUNCT
eurjchem-2303	329	1	j.	j.	PROPN
eurjchem-2303	329	2	appl	appl	PROPN
eurjchem-2303	329	3	.	.	PROPN
eurjchem-2303	329	4	crystallogr	crystallogr	PROPN
eurjchem-2303	329	5	.	.	PUNCT
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eurjchem-2303	330	2	,	,	PUNCT
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eurjchem-2303	330	4	,	,	PUNCT
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eurjchem-2303	330	6	.	.	PUNCT
eurjchem-2303	331	1	[	[	X
eurjchem-2303	331	2	24	24	NUM
eurjchem-2303	331	3	]	]	PUNCT
eurjchem-2303	331	4	.	.	PUNCT
eurjchem-2303	332	1	spackman	spackman	PROPN
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eurjchem-2303	332	3	p.	p.	PROPN
eurjchem-2303	332	4	r.	r.	PROPN
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eurjchem-2303	332	6	turner	turner	PROPN
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eurjchem-2303	332	8	m.	m.	PROPN
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eurjchem-2303	332	11	mckinnon	mckinnon	PROPN
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eurjchem-2303	332	15	;	;	PUNCT
eurjchem-2303	332	16	wolff	wolff	PROPN
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eurjchem-2303	332	50	.	.	PUNCT
eurjchem-2303	333	1	j.	j.	PROPN
eurjchem-2303	333	2	appl	appl	PROPN
eurjchem-2303	333	3	.	.	PROPN
eurjchem-2303	333	4	crystallogr	crystallogr	PROPN
eurjchem-2303	333	5	.	.	PUNCT
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eurjchem-2303	334	2	,	,	PUNCT
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eurjchem-2303	334	4	,	,	PUNCT
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eurjchem-2303	334	6	.	.	PUNCT
eurjchem-2303	335	1	[	[	X
eurjchem-2303	335	2	25	25	NUM
eurjchem-2303	335	3	]	]	PUNCT
eurjchem-2303	335	4	.	.	PUNCT
eurjchem-2303	335	5	frisch	frisch	PROPN
eurjchem-2303	335	6	,	,	PUNCT
eurjchem-2303	335	7	m.	m.	NOUN
eurjchem-2303	335	8	j.	j.	PROPN
eurjchem-2303	335	9	;	;	PUNCT
eurjchem-2303	335	10	trucks	truck	NOUN
eurjchem-2303	335	11	,	,	PUNCT
eurjchem-2303	335	12	g.	g.	PROPN
eurjchem-2303	335	13	w.	w.	PROPN
eurjchem-2303	335	14	;	;	PUNCT
eurjchem-2303	335	15	schlegel	schlegel	PROPN
eurjchem-2303	335	16	,	,	PUNCT
eurjchem-2303	335	17	h.	h.	PROPN
eurjchem-2303	335	18	b.	b.	PROPN
eurjchem-2303	335	19	;	;	PUNCT
eurjchem-2303	335	20	scuseria	scuseria	PROPN
eurjchem-2303	335	21	,	,	PUNCT
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eurjchem-2303	335	30	cheeseman	cheeseman	PROPN
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eurjchem-2303	335	42	t.	t.	PROPN
eurjchem-2303	335	43	;	;	PUNCT
eurjchem-2303	335	44	kudin	kudin	PROPN
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eurjchem-2303	335	56	j.	j.	PROPN
eurjchem-2303	335	57	m.	m.	PROPN
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eurjchem-2303	335	59	iyengar	iyengar	PROPN
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eurjchem-2303	335	67	;	;	PUNCT
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eurjchem-2303	335	70	v.	v.	PROPN
eurjchem-2303	335	71	;	;	PUNCT
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eurjchem-2303	335	74	b.	b.	PROPN
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eurjchem-2303	335	76	cossi	cossi	PROPN
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eurjchem-2303	335	78	m.	m.	NOUN
eurjchem-2303	335	79	;	;	PUNCT
eurjchem-2303	335	80	scalmani	scalmani	PROPN
eurjchem-2303	335	81	,	,	PUNCT
eurjchem-2303	335	82	g.	g.	PROPN
eurjchem-2303	335	83	;	;	PUNCT
eurjchem-2303	335	84	rega	rega	PROPN
eurjchem-2303	335	85	,	,	PUNCT
eurjchem-2303	335	86	n.	n.	NOUN
eurjchem-2303	335	87	;	;	PUNCT
eurjchem-2303	335	88	petersson	petersson	PROPN
eurjchem-2303	335	89	,	,	PUNCT
eurjchem-2303	335	90	g.	g.	PROPN
eurjchem-2303	335	91	a.	a.	PROPN
eurjchem-2303	335	92	;	;	PUNCT
eurjchem-2303	335	93	nakatsuji	nakatsuji	PROPN
eurjchem-2303	335	94	,	,	PUNCT
eurjchem-2303	335	95	h.	h.	PROPN
eurjchem-2303	335	96	;	;	PUNCT
eurjchem-2303	335	97	hada	hada	PROPN
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eurjchem-2303	335	99	m.	m.	NOUN
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eurjchem-2303	335	104	;	;	PUNCT
eurjchem-2303	335	105	toyota	toyota	PROPN
eurjchem-2303	335	106	,	,	PUNCT
eurjchem-2303	335	107	k.	k.	PROPN
eurjchem-2303	335	108	;	;	PUNCT
eurjchem-2303	335	109	fukuda	fukuda	PROPN
eurjchem-2303	335	110	,	,	PUNCT
eurjchem-2303	335	111	r.	r.	PROPN
eurjchem-2303	335	112	;	;	PUNCT
eurjchem-2303	335	113	hasegawa	hasegawa	PROPN
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eurjchem-2303	335	115	j.	j.	PROPN
eurjchem-2303	335	116	;	;	PUNCT
eurjchem-2303	335	117	ishida	ishida	PROPN
eurjchem-2303	335	118	,	,	PUNCT
eurjchem-2303	335	119	m.	m.	NOUN
eurjchem-2303	335	120	;	;	PUNCT
eurjchem-2303	335	121	nakajima	nakajima	PROPN
eurjchem-2303	335	122	,	,	PUNCT
eurjchem-2303	335	123	t.	t.	PROPN
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eurjchem-2303	335	127	y.	y.	PROPN
eurjchem-2303	335	128	;	;	PUNCT
eurjchem-2303	335	129	kitao	kitao	PROPN
eurjchem-2303	335	130	,	,	PUNCT
eurjchem-2303	335	131	o.	o.	PROPN
eurjchem-2303	335	132	;	;	PUNCT
eurjchem-2303	335	133	nakai	nakai	PROPN
eurjchem-2303	335	134	,	,	PUNCT
eurjchem-2303	335	135	h.	h.	PROPN
eurjchem-2303	335	136	;	;	PUNCT
eurjchem-2303	335	137	klene	klene	PROPN
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eurjchem-2303	335	141	li	li	PROPN
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eurjchem-2303	335	143	x.	x.	PROPN
eurjchem-2303	335	144	;	;	PUNCT
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eurjchem-2303	335	152	h.	h.	PROPN
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eurjchem-2303	335	154	;	;	PUNCT
eurjchem-2303	335	155	cross	cross	PROPN
eurjchem-2303	335	156	,	,	PUNCT
eurjchem-2303	335	157	j.	j.	PROPN
eurjchem-2303	335	158	b.	b.	PROPN
eurjchem-2303	335	159	;	;	PUNCT
eurjchem-2303	335	160	adamo	adamo	PROPN
eurjchem-2303	335	161	,	,	PUNCT
eurjchem-2303	335	162	c.	c.	PROPN
eurjchem-2303	335	163	;	;	PUNCT
eurjchem-2303	335	164	jaramillo	jaramillo	PROPN
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eurjchem-2303	335	166	j.	j.	PROPN
eurjchem-2303	335	167	;	;	PUNCT
eurjchem-2303	335	168	gomperts	gomperts	PROPN
eurjchem-2303	335	169	,	,	PUNCT
eurjchem-2303	335	170	r.	r.	PROPN
eurjchem-2303	335	171	;	;	PUNCT
eurjchem-2303	335	172	stratmann	stratmann	PROPN
eurjchem-2303	335	173	,	,	PUNCT
eurjchem-2303	335	174	r.	r.	PROPN
eurjchem-2303	335	175	e.	e.	PROPN
eurjchem-2303	335	176	;	;	PUNCT
eurjchem-2303	335	177	yazyev	yazyev	PROPN
eurjchem-2303	335	178	,	,	PUNCT
eurjchem-2303	335	179	o.	o.	PROPN
eurjchem-2303	335	180	;	;	PUNCT
eurjchem-2303	335	181	austin	austin	PROPN
eurjchem-2303	335	182	,	,	PUNCT
eurjchem-2303	335	183	a.	a.	PROPN
eurjchem-2303	335	184	j.	j.	PROPN
eurjchem-2303	335	185	;	;	PUNCT
eurjchem-2303	335	186	cammi	cammi	PROPN
eurjchem-2303	335	187	,	,	PUNCT
eurjchem-2303	335	188	r.	r.	PROPN
eurjchem-2303	335	189	;	;	PUNCT
eurjchem-2303	335	190	pomelli	pomelli	PROPN
eurjchem-2303	335	191	,	,	PUNCT
eurjchem-2303	335	192	c.	c.	NOUN
eurjchem-2303	335	193	;	;	PUNCT
eurjchem-2303	335	194	ochterski	ochterski	PROPN
eurjchem-2303	335	195	,	,	PUNCT
eurjchem-2303	335	196	j.	j.	PROPN
eurjchem-2303	335	197	w.	w.	PROPN
eurjchem-2303	335	198	;	;	PUNCT
eurjchem-2303	335	199	ayala	ayala	PROPN
eurjchem-2303	335	200	,	,	PUNCT
eurjchem-2303	335	201	p.	p.	PROPN
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eurjchem-2303	335	204	morokuma	morokuma	PROPN
eurjchem-2303	335	205	,	,	PUNCT
eurjchem-2303	335	206	k.	k.	PROPN
eurjchem-2303	335	207	;	;	PUNCT
eurjchem-2303	335	208	voth	voth	PROPN
eurjchem-2303	335	209	,	,	PUNCT
eurjchem-2303	335	210	g.	g.	PROPN
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eurjchem-2303	335	218	,	,	PUNCT
eurjchem-2303	335	219	j.	j.	PROPN
eurjchem-2303	335	220	j.	j.	PROPN
eurjchem-2303	335	221	;	;	PUNCT
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eurjchem-2303	335	223	,	,	PUNCT
eurjchem-2303	335	224	v.	v.	PROPN
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eurjchem-2303	335	226	;	;	PUNCT
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eurjchem-2303	335	228	,	,	PUNCT
eurjchem-2303	335	229	s.	s.	PROPN
eurjchem-2303	335	230	;	;	PUNCT
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eurjchem-2303	335	232	,	,	PUNCT
eurjchem-2303	335	233	a.	a.	PROPN
eurjchem-2303	335	234	d.	d.	PROPN
eurjchem-2303	335	235	;	;	PUNCT
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eurjchem-2303	335	237	,	,	PUNCT
eurjchem-2303	335	238	m.	m.	NOUN
eurjchem-2303	335	239	c.	c.	PROPN
eurjchem-2303	335	240	;	;	PUNCT
eurjchem-2303	335	241	farkas	farkas	PROPN
eurjchem-2303	335	242	,	,	PUNCT
eurjchem-2303	335	243	o.	o.	PROPN
eurjchem-2303	335	244	;	;	PUNCT
eurjchem-2303	335	245	malick	malick	PROPN
eurjchem-2303	335	246	,	,	PUNCT
eurjchem-2303	335	247	d.	d.	PROPN
eurjchem-2303	335	248	k.	k.	PROPN
eurjchem-2303	335	249	;	;	PUNCT
eurjchem-2303	335	250	rabuck	rabuck	VERB
eurjchem-2303	335	251	,	,	PUNCT
eurjchem-2303	335	252	a.	a.	PROPN
eurjchem-2303	335	253	d.	d.	PROPN
eurjchem-2303	335	254	;	;	PUNCT
eurjchem-2303	335	255	raghavachari	raghavachari	PROPN
eurjchem-2303	335	256	,	,	PUNCT
eurjchem-2303	335	257	k	k	PROPN
eurjchem-2303	335	258	;	;	PUNCT
eurjchem-2303	335	259	foresman	foresman	PROPN
eurjchem-2303	335	260	,	,	PUNCT
eurjchem-2303	335	261	j.	j.	PROPN
eurjchem-2303	335	262	b.	b.	PROPN
eurjchem-2303	335	263	;	;	PUNCT
eurjchem-2303	335	264	ortiz	ortiz	PROPN
eurjchem-2303	335	265	,	,	PUNCT
eurjchem-2303	335	266	j.	j.	PROPN
eurjchem-2303	335	267	v.	v.	PROPN
eurjchem-2303	335	268	;	;	PUNCT
eurjchem-2303	335	269	cui	cui	PROPN
eurjchem-2303	335	270	,	,	PUNCT
eurjchem-2303	335	271	q.	q.	PROPN
eurjchem-2303	335	272	;	;	PUNCT
eurjchem-2303	335	273	baboul	baboul	ADJ
eurjchem-2303	335	274	,	,	PUNCT
eurjchem-2303	335	275	a.	a.	NOUN
eurjchem-2303	335	276	g.	g.	PROPN
eurjchem-2303	335	277	;	;	PUNCT
eurjchem-2303	335	278	clifford	clifford	PROPN
eurjchem-2303	335	279	,	,	PUNCT
eurjchem-2303	335	280	s.	s.	PROPN
eurjchem-2303	335	281	;	;	PUNCT
eurjchem-2303	335	282	cioslowski	cioslowski	PROPN
eurjchem-2303	335	283	,	,	PUNCT
eurjchem-2303	335	284	j.	j.	PROPN
eurjchem-2303	335	285	;	;	PUNCT
eurjchem-2303	335	286	stefanov	stefanov	PROPN
eurjchem-2303	335	287	,	,	PUNCT
eurjchem-2303	335	288	b.	b.	PROPN
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eurjchem-2303	336	1	liu	liu	PROPN
eurjchem-2303	336	2	,	,	PUNCT
eurjchem-2303	336	3	g.	g.	PROPN
eurjchem-2303	336	4	;	;	PUNCT
eurjchem-2303	336	5	liashenko	liashenko	PROPN
eurjchem-2303	336	6	,	,	PUNCT
eurjchem-2303	336	7	a.	a.	NOUN
eurjchem-2303	336	8	;	;	PUNCT
eurjchem-2303	336	9	piskorz	piskorz	PROPN
eurjchem-2303	336	10	,	,	PUNCT
eurjchem-2303	336	11	p.	p.	NOUN
eurjchem-2303	336	12	;	;	PUNCT
eurjchem-2303	336	13	komaromi	komaromi	NOUN
eurjchem-2303	336	14	,	,	PUNCT
eurjchem-2303	336	15	i.	i.	NOUN
eurjchem-2303	336	16	;	;	PUNCT
eurjchem-2303	336	17	martin	martin	PROPN
eurjchem-2303	336	18	,	,	PUNCT
eurjchem-2303	336	19	r.	r.	PROPN
eurjchem-2303	336	20	l.	l.	PROPN
eurjchem-2303	336	21	;	;	PUNCT
eurjchem-2303	336	22	fox	fox	PROPN
eurjchem-2303	336	23	,	,	PUNCT
eurjchem-2303	336	24	d.	d.	PROPN
eurjchem-2303	336	25	j.	j.	PROPN
eurjchem-2303	336	26	;	;	PUNCT
eurjchem-2303	336	27	keith	keith	PROPN
eurjchem-2303	336	28	,	,	PUNCT
eurjchem-2303	336	29	t.	t.	PROPN
eurjchem-2303	336	30	;	;	PUNCT
eurjchem-2303	336	31	al	al	PROPN
eurjchem-2303	336	32	-	-	PUNCT
eurjchem-2303	336	33	laham	laham	PROPN
eurjchem-2303	336	34	,	,	PUNCT
eurjchem-2303	336	35	m.	m.	NOUN
eurjchem-2303	336	36	a.	a.	PROPN
eurjchem-2303	336	37	;	;	PUNCT
eurjchem-2303	336	38	peng	peng	PROPN
eurjchem-2303	336	39	,	,	PUNCT
eurjchem-2303	336	40	c.	c.	PROPN
eurjchem-2303	336	41	y.	y.	PROPN
eurjchem-2303	336	42	;	;	PUNCT
eurjchem-2303	336	43	nanayakkara	nanayakkara	PROPN
eurjchem-2303	336	44	,	,	PUNCT
eurjchem-2303	336	45	a.	a.	NOUN
eurjchem-2303	336	46	;	;	PUNCT
eurjchem-2303	336	47	challacombe	challacombe	ADJ
eurjchem-2303	336	48	,	,	PUNCT
eurjchem-2303	336	49	m.	m.	NOUN
eurjchem-2303	336	50	;	;	PUNCT
eurjchem-2303	336	51	gill	gill	PROPN
eurjchem-2303	336	52	,	,	PUNCT
eurjchem-2303	336	53	p.	p.	PROPN
eurjchem-2303	336	54	m.	m.	PROPN
eurjchem-2303	336	55	w.	w.	PROPN
eurjchem-2303	336	56	;	;	PUNCT
eurjchem-2303	336	57	johnson	johnson	PROPN
eurjchem-2303	336	58	,	,	PUNCT
eurjchem-2303	336	59	b.	b.	PROPN
eurjchem-2303	336	60	;	;	PUNCT
eurjchem-2303	336	61	chen	chen	PROPN
eurjchem-2303	336	62	,	,	PUNCT
eurjchem-2303	336	63	w.	w.	PROPN
eurjchem-2303	336	64	;	;	PUNCT
eurjchem-2303	336	65	wong	wong	PROPN
eurjchem-2303	336	66	,	,	PUNCT
eurjchem-2303	336	67	m.	m.	PROPN
eurjchem-2303	336	68	w.	w.	PROPN
eurjchem-2303	336	69	;	;	PUNCT
eurjchem-2303	336	70	gonzalez	gonzalez	PROPN
eurjchem-2303	336	71	,	,	PUNCT
eurjchem-2303	336	72	c.	c.	PROPN
eurjchem-2303	336	73	;	;	PUNCT
eurjchem-2303	336	74	pople	pople	PROPN
eurjchem-2303	336	75	,	,	PUNCT
eurjchem-2303	336	76	j.	j.	PROPN
eurjchem-2303	336	77	a.	a.	PROPN
eurjchem-2303	336	78	gaussian	gaussian	PROPN
eurjchem-2303	336	79	09	09	NUM
eurjchem-2303	336	80	,	,	PUNCT
eurjchem-2303	336	81	rev	rev	X
eurjchem-2303	336	82	.	.	PROPN
eurjchem-2303	337	1	a.01	a.01	PROPN
eurjchem-2303	337	2	,	,	PUNCT
eurjchem-2303	337	3	gaussian	gaussian	PROPN
eurjchem-2303	337	4	,	,	PUNCT
eurjchem-2303	337	5	inc	inc	PROPN
eurjchem-2303	337	6	.	.	PROPN
eurjchem-2303	337	7	,	,	PUNCT
eurjchem-2303	337	8	wallingford	wallingford	PROPN
eurjchem-2303	337	9	ct	ct	PROPN
eurjchem-2303	337	10	,	,	PUNCT
eurjchem-2303	337	11	2013	2013	NUM
eurjchem-2303	337	12	.	.	PUNCT
eurjchem-2303	338	1	[	[	X
eurjchem-2303	338	2	26	26	NUM
eurjchem-2303	338	3	]	]	PUNCT
eurjchem-2303	338	4	.	.	PUNCT
eurjchem-2303	339	1	bhabha	bhabha	NOUN
eurjchem-2303	339	2	,	,	PUNCT
eurjchem-2303	339	3	g.	g.	PROPN
eurjchem-2303	339	4	;	;	PUNCT
eurjchem-2303	339	5	ekiert	ekiert	PROPN
eurjchem-2303	339	6	,	,	PUNCT
eurjchem-2303	339	7	d.	d.	PROPN
eurjchem-2303	339	8	c.	c.	PROPN
eurjchem-2303	339	9	;	;	PUNCT
eurjchem-2303	339	10	jennewein	jennewein	PROPN
eurjchem-2303	339	11	,	,	PUNCT
eurjchem-2303	339	12	m.	m.	NOUN
eurjchem-2303	339	13	;	;	PUNCT
eurjchem-2303	339	14	zmasek	zmasek	PROPN
eurjchem-2303	339	15	,	,	PUNCT
eurjchem-2303	339	16	c.	c.	PROPN
eurjchem-2303	339	17	m.	m.	NOUN
eurjchem-2303	339	18	;	;	PUNCT
eurjchem-2303	339	19	tuttle	tuttle	PROPN
eurjchem-2303	339	20	,	,	PUNCT
eurjchem-2303	339	21	l.	l.	PROPN
eurjchem-2303	339	22	m.	m.	PROPN
eurjchem-2303	339	23	;	;	PUNCT
eurjchem-2303	339	24	kroon	kroon	PROPN
eurjchem-2303	339	25	,	,	PUNCT
eurjchem-2303	339	26	g.	g.	PROPN
eurjchem-2303	339	27	;	;	PUNCT
eurjchem-2303	339	28	dyson	dyson	PROPN
eurjchem-2303	339	29	,	,	PUNCT
eurjchem-2303	339	30	h.	h.	PROPN
eurjchem-2303	339	31	j.	j.	PROPN
eurjchem-2303	339	32	;	;	PUNCT
eurjchem-2303	339	33	godzik	godzik	NOUN
eurjchem-2303	339	34	,	,	PUNCT
eurjchem-2303	339	35	a.	a.	NOUN
eurjchem-2303	339	36	;	;	PUNCT
eurjchem-2303	339	37	wilson	wilson	PROPN
eurjchem-2303	339	38	,	,	PUNCT
eurjchem-2303	339	39	i.	i.	PROPN
eurjchem-2303	339	40	a.	a.	PROPN
eurjchem-2303	339	41	;	;	PUNCT
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eurjchem-2303	339	43	,	,	PUNCT
eurjchem-2303	339	44	p.	p.	PROPN
eurjchem-2303	339	45	e.	e.	PROPN
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eurjchem-2303	340	3	of	of	ADP
eurjchem-2303	340	4	protein	protein	NOUN
eurjchem-2303	340	5	conformational	conformational	ADJ
eurjchem-2303	340	6	dynamics	dynamic	NOUN
eurjchem-2303	340	7	in	in	ADP
eurjchem-2303	340	8	dihydrofolate	dihydrofolate	NOUN
eurjchem-2303	340	9	reductase	reductase	NOUN
eurjchem-2303	340	10	.	.	PUNCT
eurjchem-2303	341	1	nat	nat	PROPN
eurjchem-2303	341	2	.	.	PUNCT
eurjchem-2303	341	3	struct	struct	NOUN
eurjchem-2303	341	4	.	.	PUNCT
eurjchem-2303	342	1	mol	mol	PROPN
eurjchem-2303	342	2	.	.	PUNCT
eurjchem-2303	343	1	biol	biol	PROPN
eurjchem-2303	343	2	.	.	PUNCT
eurjchem-2303	344	1	2013	2013	NUM
eurjchem-2303	344	2	,	,	PUNCT
eurjchem-2303	344	3	20	20	NUM
eurjchem-2303	344	4	,	,	PUNCT
eurjchem-2303	344	5	1243–1249	1243–1249	NUM
eurjchem-2303	344	6	.	.	PUNCT
eurjchem-2303	345	1	[	[	X
eurjchem-2303	345	2	27	27	NUM
eurjchem-2303	345	3	]	]	PUNCT
eurjchem-2303	345	4	.	.	PUNCT
eurjchem-2303	346	1	blanco	blanco	PROPN
eurjchem-2303	346	2	,	,	PUNCT
eurjchem-2303	346	3	b.	b.	PROPN
eurjchem-2303	346	4	;	;	PUNCT
eurjchem-2303	346	5	prado	prado	PROPN
eurjchem-2303	346	6	,	,	PUNCT
eurjchem-2303	346	7	v.	v.	PROPN
eurjchem-2303	346	8	;	;	PUNCT
eurjchem-2303	346	9	lence	lence	PROPN
eurjchem-2303	346	10	,	,	PUNCT
eurjchem-2303	346	11	e.	e.	PROPN
eurjchem-2303	346	12	;	;	PUNCT
eurjchem-2303	346	13	otero	otero	PROPN
eurjchem-2303	346	14	,	,	PUNCT
eurjchem-2303	346	15	j.	j.	PROPN
eurjchem-2303	346	16	m.	m.	PROPN
eurjchem-2303	346	17	;	;	PUNCT
eurjchem-2303	346	18	garcia	garcia	PROPN
eurjchem-2303	346	19	-	-	PUNCT
eurjchem-2303	346	20	doval	doval	PROPN
eurjchem-2303	346	21	,	,	PUNCT
eurjchem-2303	346	22	c.	c.	PROPN
eurjchem-2303	346	23	;	;	PUNCT
eurjchem-2303	346	24	van	van	PROPN
eurjchem-2303	346	25	raaij	raaij	PROPN
eurjchem-2303	346	26	,	,	PUNCT
eurjchem-2303	346	27	m.	m.	PROPN
eurjchem-2303	346	28	j.	j.	PROPN
eurjchem-2303	346	29	;	;	PUNCT
eurjchem-2303	346	30	llamas	llamas	PROPN
eurjchem-2303	346	31	-	-	PUNCT
eurjchem-2303	346	32	saiz	saiz	PROPN
eurjchem-2303	346	33	,	,	PUNCT
eurjchem-2303	346	34	a.	a.	PROPN
eurjchem-2303	346	35	l.	l.	PROPN
eurjchem-2303	346	36	;	;	PUNCT
eurjchem-2303	346	37	lamb	lamb	PROPN
eurjchem-2303	346	38	,	,	PUNCT
eurjchem-2303	346	39	h.	h.	PROPN
eurjchem-2303	346	40	;	;	PUNCT
eurjchem-2303	346	41	hawkins	hawkins	PROPN
eurjchem-2303	346	42	,	,	PUNCT
eurjchem-2303	346	43	a.	a.	PROPN
eurjchem-2303	346	44	r.	r.	PROPN
eurjchem-2303	346	45	;	;	PUNCT
eurjchem-2303	346	46	gonzález	gonzález	PROPN
eurjchem-2303	346	47	-	-	PUNCT
eurjchem-2303	346	48	bello	bello	PROPN
eurjchem-2303	346	49	,	,	PUNCT
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eurjchem-2303	346	53	shikimate	shikimate	NOUN
eurjchem-2303	346	54	kinase	kinase	NOUN
eurjchem-2303	346	55	inhibitors	inhibitor	NOUN
eurjchem-2303	346	56	:	:	PUNCT
eurjchem-2303	346	57	design	design	NOUN
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eurjchem-2303	346	60	studies	study	NOUN
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eurjchem-2303	346	65	.	.	PUNCT
eurjchem-2303	347	1	j.	j.	PROPN
eurjchem-2303	347	2	am	am	PROPN
eurjchem-2303	347	3	.	.	PUNCT
eurjchem-2303	348	1	chem	chem	NOUN
eurjchem-2303	348	2	.	.	PUNCT
eurjchem-2303	349	1	soc	soc	PROPN
eurjchem-2303	349	2	.	.	PUNCT
eurjchem-2303	350	1	2013	2013	NUM
eurjchem-2303	350	2	,	,	PUNCT
eurjchem-2303	350	3	135	135	NUM
eurjchem-2303	350	4	,	,	PUNCT
eurjchem-2303	350	5	12366–12376	12366–12376	NUM
eurjchem-2303	350	6	.	.	PUNCT
eurjchem-2303	351	1	[	[	X
eurjchem-2303	351	2	28	28	NUM
eurjchem-2303	351	3	]	]	PUNCT
eurjchem-2303	351	4	.	.	PUNCT
eurjchem-2303	352	1	ritchie	ritchie	PROPN
eurjchem-2303	352	2	,	,	PUNCT
eurjchem-2303	352	3	t.	t.	PROPN
eurjchem-2303	352	4	j.	j.	PROPN
eurjchem-2303	352	5	;	;	PUNCT
eurjchem-2303	352	6	ertl	ertl	PROPN
eurjchem-2303	352	7	,	,	PUNCT
eurjchem-2303	352	8	p.	p.	PROPN
eurjchem-2303	352	9	;	;	PUNCT
eurjchem-2303	352	10	lewis	lewis	PROPN
eurjchem-2303	352	11	,	,	PUNCT
eurjchem-2303	352	12	r.	r.	VERB
eurjchem-2303	352	13	the	the	DET
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eurjchem-2303	352	15	representation	representation	NOUN
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eurjchem-2303	352	17	admerelated	admerelate	VERB
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eurjchem-2303	352	19	properties	property	NOUN
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eurjchem-2303	352	23	.	.	PUNCT
eurjchem-2303	353	1	drug	drug	NOUN
eurjchem-2303	353	2	discov	discov	NOUN
eurjchem-2303	353	3	.	.	PUNCT
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eurjchem-2303	354	3	,	,	PUNCT
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eurjchem-2303	354	5	,	,	PUNCT
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eurjchem-2303	354	7	.	.	PUNCT
eurjchem-2303	355	1	[	[	X
eurjchem-2303	355	2	29	29	NUM
eurjchem-2303	355	3	]	]	PUNCT
eurjchem-2303	355	4	.	.	PUNCT
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eurjchem-2303	356	2	,	,	PUNCT
eurjchem-2303	356	3	c.	c.	PROPN
eurjchem-2303	356	4	w.	w.	PROPN
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eurjchem-2303	356	13	.	.	PUNCT
eurjchem-2303	357	1	biometrics	biometric	NOUN
eurjchem-2303	357	2	1964	1964	NUM
eurjchem-2303	357	3	,	,	PUNCT
eurjchem-2303	357	4	20	20	NUM
eurjchem-2303	357	5	,	,	PUNCT
eurjchem-2303	357	6	482–491	482–491	NUM
eurjchem-2303	357	7	.	.	PUNCT
eurjchem-2303	358	1	[	[	X
eurjchem-2303	358	2	30	30	NUM
eurjchem-2303	358	3	]	]	PUNCT
eurjchem-2303	358	4	.	.	PUNCT
eurjchem-2303	358	5	tung	tung	PROPN
eurjchem-2303	358	6	,	,	PUNCT
eurjchem-2303	358	7	n.	n.	NOUN
eurjchem-2303	358	8	;	;	PUNCT
eurjchem-2303	358	9	garber	garber	PROPN
eurjchem-2303	358	10	,	,	PUNCT
eurjchem-2303	358	11	j.	j.	PROPN
eurjchem-2303	358	12	e.	e.	PROPN
eurjchem-2303	358	13	parp	parp	PROPN
eurjchem-2303	358	14	inhibition	inhibition	NOUN
eurjchem-2303	358	15	in	in	ADP
eurjchem-2303	358	16	breast	breast	NOUN
eurjchem-2303	358	17	cancer	cancer	NOUN
eurjchem-2303	358	18	:	:	PUNCT
eurjchem-2303	358	19	progress	progress	NOUN
eurjchem-2303	358	20	made	make	VERB
eurjchem-2303	358	21	and	and	CCONJ
eurjchem-2303	358	22	future	future	ADJ
eurjchem-2303	358	23	hopes	hope	NOUN
eurjchem-2303	358	24	.	.	PUNCT
eurjchem-2303	359	1	npj	npj	PROPN
eurjchem-2303	359	2	breast	breast	NOUN
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eurjchem-2303	359	5	,	,	PUNCT
eurjchem-2303	359	6	8	8	NUM
eurjchem-2303	359	7	,	,	PUNCT
eurjchem-2303	359	8	47	47	NUM
eurjchem-2303	359	9	.	.	PUNCT
eurjchem-2303	360	1	[	[	X
eurjchem-2303	360	2	31	31	NUM
eurjchem-2303	360	3	]	]	PUNCT
eurjchem-2303	360	4	.	.	PUNCT
eurjchem-2303	361	1	qiu	qiu	PROPN
eurjchem-2303	361	2	,	,	PUNCT
eurjchem-2303	361	3	w.	w.	PROPN
eurjchem-2303	361	4	;	;	PUNCT
eurjchem-2303	361	5	lam	lam	PROPN
eurjchem-2303	361	6	,	,	PUNCT
eurjchem-2303	361	7	r.	r.	PROPN
eurjchem-2303	361	8	;	;	PUNCT
eurjchem-2303	361	9	voytyuk	voytyuk	NOUN
eurjchem-2303	361	10	,	,	PUNCT
eurjchem-2303	361	11	o.	o.	PROPN
eurjchem-2303	361	12	;	;	PUNCT
eurjchem-2303	361	13	romanov	romanov	PROPN
eurjchem-2303	361	14	,	,	PUNCT
eurjchem-2303	361	15	v.	v.	PROPN
eurjchem-2303	361	16	;	;	PUNCT
eurjchem-2303	361	17	gordon	gordon	PROPN
eurjchem-2303	361	18	,	,	PUNCT
eurjchem-2303	361	19	r.	r.	PROPN
eurjchem-2303	361	20	;	;	PUNCT
eurjchem-2303	361	21	gebremeskel	gebremeskel	PROPN
eurjchem-2303	361	22	,	,	PUNCT
eurjchem-2303	361	23	s.	s.	PROPN
eurjchem-2303	361	24	;	;	PUNCT
eurjchem-2303	361	25	vodsedalek	vodsedalek	PROPN
eurjchem-2303	361	26	,	,	PUNCT
eurjchem-2303	361	27	j.	j.	PROPN
eurjchem-2303	361	28	;	;	PUNCT
eurjchem-2303	361	29	thompson	thompson	PROPN
eurjchem-2303	361	30	,	,	PUNCT
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eurjchem-2303	361	32	;	;	PUNCT
eurjchem-2303	361	33	beletskaya	beletskaya	PROPN
eurjchem-2303	361	34	,	,	PUNCT
eurjchem-2303	361	35	i.	i.	NOUN
eurjchem-2303	361	36	;	;	PUNCT
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eurjchem-2303	361	38	,	,	PUNCT
eurjchem-2303	361	39	k.	k.	PROPN
eurjchem-2303	361	40	p.	p.	PROPN
eurjchem-2303	361	41	;	;	PUNCT
eurjchem-2303	362	1	pai	pai	PROPN
eurjchem-2303	362	2	,	,	PUNCT
eurjchem-2303	362	3	e.	e.	PROPN
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eurjchem-2303	362	5	;	;	PUNCT
eurjchem-2303	362	6	rottapel	rottapel	PROPN
eurjchem-2303	362	7	,	,	PUNCT
eurjchem-2303	362	8	r.	r.	PROPN
eurjchem-2303	362	9	;	;	PUNCT
eurjchem-2303	362	10	chirgadze	chirgadze	PROPN
eurjchem-2303	362	11	,	,	PUNCT
eurjchem-2303	362	12	n.	n.	PROPN
eurjchem-2303	362	13	y.	y.	PROPN
eurjchem-2303	362	14	insights	insight	NOUN
eurjchem-2303	362	15	into	into	ADP
eurjchem-2303	362	16	the	the	DET
eurjchem-2303	362	17	binding	binding	NOUN
eurjchem-2303	362	18	of	of	ADP
eurjchem-2303	362	19	parp	parp	ADJ
eurjchem-2303	362	20	inhibitors	inhibitor	NOUN
eurjchem-2303	362	21	to	to	ADP
eurjchem-2303	362	22	the	the	DET
eurjchem-2303	362	23	catalytic	catalytic	ADJ
eurjchem-2303	362	24	domain	domain	NOUN
eurjchem-2303	362	25	of	of	ADP
eurjchem-2303	362	26	human	human	NOUN
eurjchem-2303	362	27	tankyrase-2	tankyrase-2	PROPN
eurjchem-2303	362	28	.	.	PUNCT
eurjchem-2303	362	29	acta	acta	PROPN
eurjchem-2303	362	30	crystallogr	crystallogr	PROPN
eurjchem-2303	362	31	.	.	PUNCT
eurjchem-2303	363	1	d	d	X
eurjchem-2303	363	2	biol	biol	PROPN
eurjchem-2303	363	3	.	.	PUNCT
eurjchem-2303	364	1	crystallogr	crystallogr	PROPN
eurjchem-2303	364	2	.	.	PUNCT
eurjchem-2303	365	1	2014	2014	NUM
eurjchem-2303	365	2	,	,	PUNCT
eurjchem-2303	365	3	70	70	NUM
eurjchem-2303	365	4	,	,	PUNCT
eurjchem-2303	365	5	2740–2753	2740–2753	NUM
eurjchem-2303	365	6	.	.	PUNCT
eurjchem-2303	366	1	[	[	X
eurjchem-2303	366	2	32	32	NUM
eurjchem-2303	366	3	]	]	PUNCT
eurjchem-2303	366	4	.	.	PUNCT
eurjchem-2303	367	1	delano	delano	PROPN
eurjchem-2303	367	2	,	,	PUNCT
eurjchem-2303	367	3	w.	w.	PROPN
eurjchem-2303	367	4	l.	l.	PROPN
eurjchem-2303	367	5	the	the	DET
eurjchem-2303	367	6	pymol	pymol	PROPN
eurjchem-2303	367	7	molecular	molecular	ADJ
eurjchem-2303	367	8	graphics	graphic	NOUN
eurjchem-2303	367	9	system	system	NOUN
eurjchem-2303	367	10	delano	delano	PROPN
eurjchem-2303	367	11	scientific	scientific	PROPN
eurjchem-2303	367	12	:	:	PUNCT
eurjchem-2303	367	13	san	san	PROPN
eurjchem-2303	367	14	carlos	carlos	PROPN
eurjchem-2303	367	15	,	,	PUNCT
eurjchem-2303	367	16	ca	ca	PROPN
eurjchem-2303	367	17	,	,	PUNCT
eurjchem-2303	367	18	2002	2002	NUM
eurjchem-2303	367	19	.	.	PUNCT
eurjchem-2303	368	1	https://www.pymol.org	https://www.pymol.org	PUNCT
eurjchem-2303	368	2	(	(	PUNCT
eurjchem-2303	368	3	accessed	access	VERB
eurjchem-2303	368	4	august	august	PROPN
eurjchem-2303	368	5	10	10	NUM
eurjchem-2303	368	6	,	,	PUNCT
eurjchem-2303	368	7	2022	2022	NUM
eurjchem-2303	368	8	)	)	PUNCT
eurjchem-2303	368	9	.	.	PUNCT
eurjchem-2303	369	1	[	[	X
eurjchem-2303	369	2	33	33	NUM
eurjchem-2303	369	3	]	]	PUNCT
eurjchem-2303	369	4	.	.	PUNCT
eurjchem-2303	370	1	wallace	wallace	PROPN
eurjchem-2303	370	2	,	,	PUNCT
eurjchem-2303	370	3	a.	a.	PROPN
eurjchem-2303	370	4	c.	c.	PROPN
eurjchem-2303	370	5	;	;	PUNCT
eurjchem-2303	370	6	laskowski	laskowski	PROPN
eurjchem-2303	370	7	,	,	PUNCT
eurjchem-2303	370	8	r.	r.	PROPN
eurjchem-2303	370	9	a.	a.	PROPN
eurjchem-2303	370	10	;	;	PUNCT
eurjchem-2303	370	11	thornton	thornton	PROPN
eurjchem-2303	370	12	,	,	PUNCT
eurjchem-2303	370	13	j.	j.	PROPN
eurjchem-2303	370	14	m.	m.	PROPN
eurjchem-2303	370	15	ligplot	ligplot	PROPN
eurjchem-2303	370	16	:	:	PUNCT
eurjchem-2303	370	17	a	a	DET
eurjchem-2303	370	18	program	program	NOUN
eurjchem-2303	370	19	to	to	PART
eurjchem-2303	370	20	generate	generate	VERB
eurjchem-2303	370	21	schematic	schematic	ADJ
eurjchem-2303	370	22	diagrams	diagram	NOUN
eurjchem-2303	370	23	of	of	ADP
eurjchem-2303	370	24	protein	protein	NOUN
eurjchem-2303	370	25	-	-	PUNCT
eurjchem-2303	370	26	ligand	ligand	NOUN
eurjchem-2303	370	27	interactions	interaction	NOUN
eurjchem-2303	370	28	.	.	PUNCT
eurjchem-2303	371	1	protein	protein	NOUN
eurjchem-2303	371	2	eng	eng	PROPN
eurjchem-2303	371	3	.	.	PUNCT
eurjchem-2303	372	1	des	des	PROPN
eurjchem-2303	372	2	.	.	PROPN
eurjchem-2303	372	3	sel	sel	PROPN
eurjchem-2303	372	4	.	.	PUNCT
eurjchem-2303	373	1	1995	1995	NUM
eurjchem-2303	373	2	,	,	PUNCT
eurjchem-2303	373	3	8	8	NUM
eurjchem-2303	373	4	,	,	PUNCT
eurjchem-2303	373	5	127–134	127–134	NUM
eurjchem-2303	373	6	.	.	PUNCT
eurjchem-2303	374	1	[	[	X
eurjchem-2303	374	2	34	34	NUM
eurjchem-2303	374	3	]	]	PUNCT
eurjchem-2303	374	4	.	.	PUNCT
eurjchem-2303	375	1	schöning	schöne	VERB
eurjchem-2303	375	2	-	-	PUNCT
eurjchem-2303	375	3	stierand	stierand	NOUN
eurjchem-2303	375	4	,	,	PUNCT
eurjchem-2303	375	5	k.	k.	PROPN
eurjchem-2303	375	6	;	;	PUNCT
eurjchem-2303	375	7	diedrich	diedrich	PROPN
eurjchem-2303	375	8	,	,	PUNCT
eurjchem-2303	375	9	k.	k.	PROPN
eurjchem-2303	375	10	;	;	PUNCT
eurjchem-2303	375	11	fährrolfes	fährrolfe	NOUN
eurjchem-2303	375	12	,	,	PUNCT
eurjchem-2303	375	13	r.	r.	PROPN
eurjchem-2303	375	14	;	;	PUNCT
eurjchem-2303	375	15	flachsenberg	flachsenberg	PROPN
eurjchem-2303	375	16	,	,	PUNCT
eurjchem-2303	375	17	f.	f.	PROPN
eurjchem-2303	375	18	;	;	PUNCT
eurjchem-2303	376	1	meyder	meyder	PROPN
eurjchem-2303	376	2	,	,	PUNCT
eurjchem-2303	376	3	a.	a.	NOUN
eurjchem-2303	376	4	;	;	PUNCT
eurjchem-2303	376	5	nittinger	nittinger	NOUN
eurjchem-2303	376	6	,	,	PUNCT
eurjchem-2303	376	7	e.	e.	PROPN
eurjchem-2303	376	8	;	;	PUNCT
eurjchem-2303	376	9	steinegger	steinegger	ADV
eurjchem-2303	376	10	,	,	PUNCT
eurjchem-2303	376	11	r.	r.	PROPN
eurjchem-2303	376	12	;	;	PUNCT
eurjchem-2303	376	13	rarey	rarey	PROPN
eurjchem-2303	376	14	,	,	PUNCT
eurjchem-2303	376	15	m.	m.	NOUN
eurjchem-2303	376	16	proteinsplus	proteinsplus	NOUN
eurjchem-2303	376	17	:	:	PUNCT
eurjchem-2303	376	18	interactive	interactive	VERB
eurjchem-2303	376	19	analysis	analysis	NOUN
eurjchem-2303	376	20	of	of	ADP
eurjchem-2303	376	21	protein	protein	NOUN
eurjchem-2303	376	22	-	-	PUNCT
eurjchem-2303	376	23	ligand	ligand	ADJ
eurjchem-2303	376	24	binding	bind	VERB
eurjchem-2303	376	25	interfaces	interface	NOUN
eurjchem-2303	376	26	.	.	PUNCT
eurjchem-2303	377	1	nucleic	nucleic	ADJ
eurjchem-2303	377	2	acids	acid	NOUN
eurjchem-2303	377	3	res	re	NOUN
eurjchem-2303	377	4	.	.	PUNCT
eurjchem-2303	378	1	2020	2020	NUM
eurjchem-2303	378	2	,	,	PUNCT
eurjchem-2303	378	3	48	48	NUM
eurjchem-2303	378	4	,	,	PUNCT
eurjchem-2303	378	5	w48	w48	NOUN
eurjchem-2303	378	6	–	–	PUNCT
eurjchem-2303	378	7	w53	w53	ADJ
eurjchem-2303	378	8	.	.	PUNCT
eurjchem-2303	379	1	[	[	X
eurjchem-2303	379	2	35	35	NUM
eurjchem-2303	379	3	]	]	PUNCT
eurjchem-2303	379	4	.	.	PUNCT
eurjchem-2303	380	1	stierand	stierand	NOUN
eurjchem-2303	380	2	,	,	PUNCT
eurjchem-2303	380	3	k.	k.	PROPN
eurjchem-2303	380	4	;	;	PUNCT
eurjchem-2303	380	5	maass	maass	PROPN
eurjchem-2303	380	6	,	,	PUNCT
eurjchem-2303	380	7	p.	p.	PROPN
eurjchem-2303	380	8	c.	c.	PROPN
eurjchem-2303	380	9	;	;	PUNCT
eurjchem-2303	380	10	rarey	rarey	NOUN
eurjchem-2303	380	11	,	,	PUNCT
eurjchem-2303	380	12	m.	m.	NOUN
eurjchem-2303	380	13	molecular	molecular	ADJ
eurjchem-2303	380	14	complexes	complex	NOUN
eurjchem-2303	380	15	at	at	ADP
eurjchem-2303	380	16	a	a	DET
eurjchem-2303	380	17	glance	glance	NOUN
eurjchem-2303	380	18	:	:	PUNCT
eurjchem-2303	380	19	automated	automated	ADJ
eurjchem-2303	380	20	generation	generation	NOUN
eurjchem-2303	380	21	of	of	ADP
eurjchem-2303	380	22	two	two	NUM
eurjchem-2303	380	23	-	-	PUNCT
eurjchem-2303	380	24	dimensional	dimensional	ADJ
eurjchem-2303	380	25	complex	complex	ADJ
eurjchem-2303	380	26	diagrams	diagram	NOUN
eurjchem-2303	380	27	.	.	PUNCT
eurjchem-2303	381	1	bioinformatics	bioinformatic	NOUN
eurjchem-2303	381	2	2006	2006	NUM
eurjchem-2303	381	3	,	,	PUNCT
eurjchem-2303	381	4	22	22	NUM
eurjchem-2303	381	5	,	,	PUNCT
eurjchem-2303	381	6	1710–1716	1710–1716	NUM
eurjchem-2303	381	7	.	.	PUNCT
eurjchem-2303	382	1	[	[	X
eurjchem-2303	382	2	36	36	NUM
eurjchem-2303	382	3	]	]	PUNCT
eurjchem-2303	382	4	.	.	PUNCT
eurjchem-2303	383	1	kansiz	kansiz	PROPN
eurjchem-2303	383	2	,	,	PUNCT
eurjchem-2303	383	3	s.	s.	PROPN
eurjchem-2303	383	4	;	;	PUNCT
eurjchem-2303	383	5	çakmak	çakmak	PROPN
eurjchem-2303	383	6	,	,	PUNCT
eurjchem-2303	383	7	s.	s.	PROPN
eurjchem-2303	383	8	;	;	PUNCT
eurjchem-2303	383	9	dege	dege	ADJ
eurjchem-2303	383	10	,	,	PUNCT
eurjchem-2303	383	11	n.	n.	PROPN
eurjchem-2303	383	12	;	;	PUNCT
eurjchem-2303	383	13	meral	meral	ADJ
eurjchem-2303	383	14	,	,	PUNCT
eurjchem-2303	383	15	g.	g.	PROPN
eurjchem-2303	383	16	;	;	PUNCT
eurjchem-2303	383	17	kütük	kütük	PROPN
eurjchem-2303	383	18	,	,	PUNCT
eurjchem-2303	383	19	h.	h.	PROPN
eurjchem-2303	383	20	crystal	crystal	PROPN
eurjchem-2303	383	21	structure	structure	NOUN
eurjchem-2303	383	22	of	of	ADP
eurjchem-2303	383	23	3	3	NUM
eurjchem-2303	383	24	-	-	PUNCT
eurjchem-2303	383	25	acetoxy-2	acetoxy-2	NOUN
eurjchem-2303	383	26	-	-	PUNCT
eurjchem-2303	383	27	methyl	methyl	NOUN
eurjchem-2303	383	28	-	-	PUNCT
eurjchem-2303	383	29	n-(4	n-(4	NOUN
eurjchem-2303	383	30	-	-	PUNCT
eurjchem-2303	383	31	nitrophenyl)benzamide	nitrophenyl)benzamide	NOUN
eurjchem-2303	383	32	.	.	PUNCT
eurjchem-2303	384	1	x	x	X
eurjchem-2303	384	2	-	-	PUNCT
eurjchem-2303	384	3	ray	ray	NOUN
eurjchem-2303	384	4	struct	struct	NOUN
eurjchem-2303	384	5	.	.	PUNCT
eurjchem-2303	385	1	anal	anal	PROPN
eurjchem-2303	385	2	.	.	PUNCT
eurjchem-2303	386	1	online	online	ADJ
eurjchem-2303	386	2	2018	2018	NUM
eurjchem-2303	386	3	,	,	PUNCT
eurjchem-2303	386	4	34	34	NUM
eurjchem-2303	386	5	,	,	PUNCT
eurjchem-2303	386	6	17–18	17–18	NUM
eurjchem-2303	386	7	.	.	PUNCT
eurjchem-2303	387	1	[	[	X
eurjchem-2303	387	2	37	37	NUM
eurjchem-2303	387	3	]	]	PUNCT
eurjchem-2303	387	4	.	.	PUNCT
eurjchem-2303	388	1	mackenzie	mackenzie	PROPN
eurjchem-2303	388	2	,	,	PUNCT
eurjchem-2303	388	3	c.	c.	PROPN
eurjchem-2303	388	4	f.	f.	PROPN
eurjchem-2303	388	5	;	;	PUNCT
eurjchem-2303	388	6	spackman	spackman	NOUN
eurjchem-2303	388	7	,	,	PUNCT
eurjchem-2303	388	8	p.	p.	PROPN
eurjchem-2303	388	9	r.	r.	PROPN
eurjchem-2303	388	10	;	;	PUNCT
eurjchem-2303	388	11	jayatilaka	jayatilaka	PROPN
eurjchem-2303	388	12	,	,	PUNCT
eurjchem-2303	388	13	d.	d.	PROPN
eurjchem-2303	388	14	;	;	PUNCT
eurjchem-2303	388	15	spackman	spackman	NOUN
eurjchem-2303	388	16	,	,	PUNCT
eurjchem-2303	388	17	m.	m.	NOUN
eurjchem-2303	388	18	a.	a.	NOUN
eurjchem-2303	388	19	crystalexplorer	crystalexplorer	PROPN
eurjchem-2303	388	20	model	model	NOUN
eurjchem-2303	388	21	energies	energy	NOUN
eurjchem-2303	388	22	and	and	CCONJ
eurjchem-2303	388	23	energy	energy	NOUN
eurjchem-2303	388	24	frameworks	framework	NOUN
eurjchem-2303	388	25	:	:	PUNCT
eurjchem-2303	388	26	extension	extension	NOUN
eurjchem-2303	388	27	to	to	ADP
eurjchem-2303	388	28	metal	metal	NOUN
eurjchem-2303	388	29	coordination	coordination	NOUN
eurjchem-2303	388	30	compounds	compound	NOUN
eurjchem-2303	388	31	,	,	PUNCT
eurjchem-2303	388	32	organic	organic	ADJ
eurjchem-2303	388	33	salts	salt	NOUN
eurjchem-2303	388	34	,	,	PUNCT
eurjchem-2303	388	35	solvates	solvate	NOUN
eurjchem-2303	388	36	and	and	CCONJ
eurjchem-2303	388	37	open	open	ADJ
eurjchem-2303	388	38	-	-	PUNCT
eurjchem-2303	388	39	shell	shell	NOUN
eurjchem-2303	388	40	systems	system	NOUN
eurjchem-2303	388	41	.	.	PUNCT
eurjchem-2303	389	1	iucrj	iucrj	NOUN
eurjchem-2303	389	2	2017	2017	NUM
eurjchem-2303	389	3	,	,	PUNCT
eurjchem-2303	389	4	4	4	NUM
eurjchem-2303	389	5	,	,	PUNCT
eurjchem-2303	389	6	575–587	575–587	NUM
eurjchem-2303	389	7	.	.	PUNCT
eurjchem-2303	390	1	[	[	X
eurjchem-2303	390	2	38	38	NUM
eurjchem-2303	390	3	]	]	PUNCT
eurjchem-2303	390	4	.	.	PUNCT
eurjchem-2303	391	1	abbaz	abbaz	PROPN
eurjchem-2303	391	2	,	,	PUNCT
eurjchem-2303	391	3	t.	t.	PROPN
eurjchem-2303	391	4	;	;	PUNCT
eurjchem-2303	391	5	bendjeddou	bendjeddou	PROPN
eurjchem-2303	391	6	,	,	PUNCT
eurjchem-2303	391	7	a.	a.	NOUN
eurjchem-2303	391	8	;	;	PUNCT
eurjchem-2303	391	9	villemin	villemin	PROPN
eurjchem-2303	391	10	,	,	PUNCT
eurjchem-2303	391	11	d.	d.	PROPN
eurjchem-2303	391	12	molecular	molecular	ADJ
eurjchem-2303	391	13	structure	structure	NOUN
eurjchem-2303	391	14	,	,	PUNCT
eurjchem-2303	391	15	homo	homo	NOUN
eurjchem-2303	391	16	,	,	PUNCT
eurjchem-2303	391	17	lumo	lumo	NOUN
eurjchem-2303	391	18	,	,	PUNCT
eurjchem-2303	391	19	mep	mep	PROPN
eurjchem-2303	391	20	,	,	PUNCT
eurjchem-2303	391	21	natural	natural	ADJ
eurjchem-2303	391	22	bond	bond	NOUN
eurjchem-2303	391	23	orbital	orbital	ADJ
eurjchem-2303	391	24	analysis	analysis	NOUN
eurjchem-2303	391	25	of	of	ADP
eurjchem-2303	391	26	benzo	benzo	NOUN
eurjchem-2303	391	27	and	and	CCONJ
eurjchem-2303	391	28	anthra	anthra	ADJ
eurjchem-2303	391	29	quinodimethane	quinodimethane	NOUN
eurjchem-2303	391	30	derivatives	derivative	NOUN
eurjchem-2303	391	31	.	.	PUNCT
eurjchem-2303	392	1	pharm	pharm	NOUN
eurjchem-2303	392	2	.	.	PUNCT
eurjchem-2303	393	1	biol	biol	PROPN
eurjchem-2303	393	2	.	.	PUNCT
eurjchem-2303	394	1	evaluations	evaluation	NOUN
eurjchem-2303	394	2	2018	2018	NUM
eurjchem-2303	394	3	,	,	PUNCT
eurjchem-2303	394	4	5	5	NUM
eurjchem-2303	394	5	,	,	PUNCT
eurjchem-2303	394	6	27–39	27–39	NUM
eurjchem-2303	394	7	.	.	PUNCT
eurjchem-2303	395	1	[	[	X
eurjchem-2303	395	2	39	39	NUM
eurjchem-2303	395	3	]	]	PUNCT
eurjchem-2303	395	4	.	.	PUNCT
eurjchem-2303	396	1	uzun	uzun	PROPN
eurjchem-2303	396	2	,	,	PUNCT
eurjchem-2303	396	3	s.	s.	PROPN
eurjchem-2303	396	4	;	;	PUNCT
eurjchem-2303	396	5	esen	esen	PROPN
eurjchem-2303	396	6	,	,	PUNCT
eurjchem-2303	396	7	z.	z.	PROPN
eurjchem-2303	396	8	;	;	PUNCT
eurjchem-2303	396	9	koç	koç	PROPN
eurjchem-2303	396	10	,	,	PUNCT
eurjchem-2303	396	11	e.	e.	PROPN
eurjchem-2303	396	12	;	;	PUNCT
eurjchem-2303	396	13	usta	usta	PROPN
eurjchem-2303	396	14	,	,	PUNCT
eurjchem-2303	396	15	n.	n.	PROPN
eurjchem-2303	396	16	c.	c.	PROPN
eurjchem-2303	396	17	;	;	PUNCT
eurjchem-2303	396	18	ceylan	ceylan	PROPN
eurjchem-2303	396	19	,	,	PUNCT
eurjchem-2303	396	20	m.	m.	NOUN
eurjchem-2303	396	21	experimental	experimental	NOUN
eurjchem-2303	396	22	and	and	CCONJ
eurjchem-2303	396	23	density	density	NOUN
eurjchem-2303	396	24	functional	functional	ADJ
eurjchem-2303	396	25	theory	theory	NOUN
eurjchem-2303	396	26	(	(	PUNCT
eurjchem-2303	396	27	mep	mep	PROPN
eurjchem-2303	396	28	,	,	PUNCT
eurjchem-2303	396	29	fmo	fmo	NOUN
eurjchem-2303	396	30	,	,	PUNCT
eurjchem-2303	396	31	nlo	nlo	PROPN
eurjchem-2303	396	32	,	,	PUNCT
eurjchem-2303	396	33	fukui	fukui	PROPN
eurjchem-2303	396	34	functions	function	NOUN
eurjchem-2303	396	35	)	)	PUNCT
eurjchem-2303	396	36	and	and	CCONJ
eurjchem-2303	396	37	antibacterial	antibacterial	ADJ
eurjchem-2303	396	38	activity	activity	NOUN
eurjchem-2303	396	39	studies	study	NOUN
eurjchem-2303	396	40	on	on	ADP
eurjchem-2303	396	41	2	2	NUM
eurjchem-2303	396	42	-	-	PUNCT
eurjchem-2303	396	43	amino-4-(4	amino-4-(4	ADJ
eurjchem-2303	396	44	-	-	PUNCT
eurjchem-2303	396	45	nitrophenyl)-5,6dihydrobenzo[h]quinoline-3	nitrophenyl)-5,6dihydrobenzo[h]quinoline-3	NOUN
eurjchem-2303	396	46	-	-	NOUN
eurjchem-2303	396	47	carbonitrile	carbonitrile	NOUN
eurjchem-2303	396	48	.	.	PUNCT
eurjchem-2303	397	1	j.	j.	PROPN
eurjchem-2303	397	2	mol	mol	PROPN
eurjchem-2303	397	3	.	.	PROPN
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eurjchem-2303	397	5	.	.	PUNCT
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eurjchem-2303	398	2	,	,	PUNCT
eurjchem-2303	398	3	1178	1178	NUM
eurjchem-2303	398	4	,	,	PUNCT
eurjchem-2303	398	5	450–457	450–457	NUM
eurjchem-2303	398	6	.	.	PUNCT
eurjchem-2303	399	1	[	[	X
eurjchem-2303	399	2	40	40	NUM
eurjchem-2303	399	3	]	]	PUNCT
eurjchem-2303	399	4	.	.	PUNCT
eurjchem-2303	400	1	cortesi	cortesi	PROPN
eurjchem-2303	400	2	,	,	PUNCT
eurjchem-2303	400	3	l.	l.	PROPN
eurjchem-2303	400	4	;	;	PUNCT
eurjchem-2303	400	5	rugo	rugo	PROPN
eurjchem-2303	400	6	,	,	PUNCT
eurjchem-2303	400	7	h.	h.	PROPN
eurjchem-2303	400	8	s.	s.	PROPN
eurjchem-2303	400	9	;	;	PUNCT
eurjchem-2303	400	10	jackisch	jackisch	PROPN
eurjchem-2303	400	11	,	,	PUNCT
eurjchem-2303	400	12	c.	c.	NOUN
eurjchem-2303	400	13	an	an	DET
eurjchem-2303	400	14	overview	overview	NOUN
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eurjchem-2303	400	16	parp	parp	ADJ
eurjchem-2303	400	17	inhibitors	inhibitor	NOUN
eurjchem-2303	400	18	for	for	ADP
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eurjchem-2303	400	20	treatment	treatment	NOUN
eurjchem-2303	400	21	of	of	ADP
eurjchem-2303	400	22	breast	breast	NOUN
eurjchem-2303	400	23	cancer	cancer	NOUN
eurjchem-2303	400	24	.	.	PUNCT
eurjchem-2303	401	1	target	target	NOUN
eurjchem-2303	401	2	.	.	PUNCT
eurjchem-2303	402	1	oncol	oncol	ADJ
eurjchem-2303	402	2	.	.	PUNCT
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eurjchem-2303	403	2	,	,	PUNCT
eurjchem-2303	403	3	16	16	NUM
eurjchem-2303	403	4	,	,	PUNCT
eurjchem-2303	403	5	255–282	255–282	NUM
eurjchem-2303	403	6	.	.	PUNCT
eurjchem-2303	404	1	[	[	X
eurjchem-2303	404	2	41	41	NUM
eurjchem-2303	404	3	]	]	PUNCT
eurjchem-2303	404	4	.	.	PUNCT
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eurjchem-2303	405	2	,	,	PUNCT
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eurjchem-2303	405	4	;	;	PUNCT
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eurjchem-2303	405	6	,	,	PUNCT
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eurjchem-2303	405	11	,	,	PUNCT
eurjchem-2303	405	12	v.	v.	PROPN
eurjchem-2303	405	13	;	;	PUNCT
eurjchem-2303	405	14	conte	conte	PROPN
eurjchem-2303	405	15	,	,	PUNCT
eurjchem-2303	405	16	p.	p.	NOUN
eurjchem-2303	405	17	olaparib	olaparib	NOUN
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eurjchem-2303	405	19	the	the	DET
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eurjchem-2303	405	21	of	of	ADP
eurjchem-2303	405	22	breast	breast	NOUN
eurjchem-2303	405	23	cancer	cancer	NOUN
eurjchem-2303	405	24	.	.	PUNCT
eurjchem-2303	406	1	expert	expert	PROPN
eurjchem-2303	406	2	rev	rev	PROPN
eurjchem-2303	406	3	.	.	PROPN
eurjchem-2303	406	4	anticancer	anticancer	NOUN
eurjchem-2303	406	5	ther	ther	PROPN
eurjchem-2303	406	6	.	.	PUNCT
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eurjchem-2303	407	2	,	,	PUNCT
eurjchem-2303	407	3	18	18	NUM
eurjchem-2303	407	4	,	,	PUNCT
eurjchem-2303	407	5	519–530	519–530	NUM
eurjchem-2303	407	6	.	.	PUNCT
eurjchem-2303	408	1	[	[	X
eurjchem-2303	408	2	42	42	NUM
eurjchem-2303	408	3	]	]	PUNCT
eurjchem-2303	408	4	.	.	PUNCT
eurjchem-2303	409	1	litton	litton	PROPN
eurjchem-2303	409	2	,	,	PUNCT
eurjchem-2303	409	3	j.	j.	PROPN
eurjchem-2303	409	4	k.	k.	PROPN
eurjchem-2303	409	5	;	;	PUNCT
eurjchem-2303	409	6	rugo	rugo	PROPN
eurjchem-2303	409	7	,	,	PUNCT
eurjchem-2303	409	8	h.	h.	PROPN
eurjchem-2303	409	9	s.	s.	PROPN
eurjchem-2303	409	10	;	;	PUNCT
eurjchem-2303	409	11	ettl	ettl	PROPN
eurjchem-2303	409	12	,	,	PUNCT
eurjchem-2303	409	13	j.	j.	PROPN
eurjchem-2303	409	14	;	;	PUNCT
eurjchem-2303	409	15	hurvitz	hurvitz	PROPN
eurjchem-2303	409	16	,	,	PUNCT
eurjchem-2303	409	17	s.	s.	PROPN
eurjchem-2303	409	18	a.	a.	PROPN
eurjchem-2303	409	19	;	;	PUNCT
eurjchem-2303	409	20	gonçalves	gonçalves	PROPN
eurjchem-2303	409	21	,	,	PUNCT
eurjchem-2303	409	22	a.	a.	PROPN
eurjchem-2303	409	23	;	;	PUNCT
eurjchem-2303	409	24	lee	lee	PROPN
eurjchem-2303	409	25	,	,	PUNCT
eurjchem-2303	409	26	k.-h	k.-h	PROPN
eurjchem-2303	409	27	.	.	PUNCT
eurjchem-2303	409	28	;	;	PUNCT
eurjchem-2303	409	29	fehrenbacher	fehrenbacher	NOUN
eurjchem-2303	409	30	,	,	PUNCT
eurjchem-2303	409	31	l.	l.	PROPN
eurjchem-2303	409	32	;	;	PUNCT
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eurjchem-2303	409	35	r.	r.	PROPN
eurjchem-2303	409	36	;	;	PUNCT
eurjchem-2303	409	37	mina	mina	PROPN
eurjchem-2303	409	38	,	,	PUNCT
eurjchem-2303	409	39	l.	l.	PROPN
eurjchem-2303	409	40	a.	a.	PROPN
eurjchem-2303	409	41	;	;	PUNCT
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eurjchem-2303	409	44	m.	m.	NOUN
eurjchem-2303	409	45	;	;	PUNCT
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eurjchem-2303	409	47	,	,	PUNCT
eurjchem-2303	409	48	h.	h.	PROPN
eurjchem-2303	409	49	;	;	PUNCT
eurjchem-2303	409	50	i	i	PROPN
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eurjchem-2303	409	53	y.-h	y.-h	PROPN
eurjchem-2303	409	54	.	.	PUNCT
eurjchem-2303	409	55	;	;	PUNCT
eurjchem-2303	410	1	quek	quek	PROPN
eurjchem-2303	410	2	,	,	PUNCT
eurjchem-2303	410	3	r.	r.	PROPN
eurjchem-2303	410	4	g.	g.	PROPN
eurjchem-2303	410	5	w.	w.	PROPN
eurjchem-2303	410	6	;	;	PUNCT
eurjchem-2303	410	7	markova	markova	PROPN
eurjchem-2303	410	8	,	,	PUNCT
eurjchem-2303	410	9	d.	d.	PROPN
eurjchem-2303	410	10	;	;	PUNCT
eurjchem-2303	410	11	tudor	tudor	PROPN
eurjchem-2303	410	12	,	,	PUNCT
eurjchem-2303	410	13	i.	i.	PROPN
eurjchem-2303	410	14	c.	c.	PROPN
eurjchem-2303	410	15	;	;	PUNCT
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eurjchem-2303	410	18	a.	a.	PROPN
eurjchem-2303	410	19	l.	l.	PROPN
eurjchem-2303	410	20	;	;	PUNCT
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eurjchem-2303	410	22	,	,	PUNCT
eurjchem-2303	410	23	w.	w.	PROPN
eurjchem-2303	410	24	;	;	PUNCT
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eurjchem-2303	410	26	,	,	PUNCT
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eurjchem-2303	410	28	l.	l.	PROPN
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eurjchem-2303	410	33	advanced	advanced	ADJ
eurjchem-2303	410	34	breast	breast	NOUN
eurjchem-2303	410	35	cancer	cancer	NOUN
eurjchem-2303	410	36	and	and	CCONJ
eurjchem-2303	410	37	a	a	DET
eurjchem-2303	410	38	germline	germline	NOUN
eurjchem-2303	410	39	brca	brca	PROPN
eurjchem-2303	410	40	mutation	mutation	PROPN
eurjchem-2303	410	41	.	.	PUNCT
eurjchem-2303	411	1	n.	n.	PROPN
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eurjchem-2303	411	3	.	.	PUNCT
eurjchem-2303	412	1	j.	j.	PROPN
eurjchem-2303	412	2	med	med	PROPN
eurjchem-2303	412	3	.	.	PROPN
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eurjchem-2303	412	5	,	,	PUNCT
eurjchem-2303	412	6	379	379	NUM
eurjchem-2303	412	7	,	,	PUNCT
eurjchem-2303	412	8	753–763	753–763	NUM
eurjchem-2303	412	9	.	.	PUNCT
eurjchem-2303	413	1	copyright	copyright	NOUN
eurjchem-2303	413	2	©	©	ADP
eurjchem-2303	413	3	2022	2022	NUM
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eurjchem-2303	413	5	authors	author	NOUN
eurjchem-2303	413	6	.	.	PUNCT
eurjchem-2303	414	1	this	this	DET
eurjchem-2303	414	2	work	work	NOUN
eurjchem-2303	414	3	is	be	AUX
eurjchem-2303	414	4	published	publish	VERB
eurjchem-2303	414	5	and	and	CCONJ
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eurjchem-2303	414	7	by	by	ADP
eurjchem-2303	414	8	atlanta	atlanta	PROPN
eurjchem-2303	414	9	publishing	publishing	PROPN
eurjchem-2303	414	10	house	house	PROPN
eurjchem-2303	414	11	llc	llc	PROPN
eurjchem-2303	414	12	,	,	PUNCT
eurjchem-2303	414	13	atlanta	atlanta	PROPN
eurjchem-2303	414	14	,	,	PUNCT
eurjchem-2303	414	15	ga	ga	PROPN
eurjchem-2303	414	16	,	,	PUNCT
eurjchem-2303	414	17	usa	usa	PROPN
eurjchem-2303	414	18	.	.	PUNCT
eurjchem-2303	415	1	the	the	DET
eurjchem-2303	415	2	full	full	ADJ
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eurjchem-2303	415	5	this	this	DET
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eurjchem-2303	415	8	available	available	ADJ
eurjchem-2303	415	9	at	at	ADP
eurjchem-2303	415	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2303	415	11	and	and	CCONJ
eurjchem-2303	415	12	incorporate	incorporate	VERB
eurjchem-2303	415	13	the	the	DET
eurjchem-2303	415	14	creative	creative	ADJ
eurjchem-2303	415	15	commons	common	NOUN
eurjchem-2303	415	16	attribution	attribution	NOUN
eurjchem-2303	415	17	-	-	PUNCT
eurjchem-2303	415	18	non	non	ADJ
eurjchem-2303	415	19	commercial	commercial	NOUN
eurjchem-2303	415	20	(	(	PUNCT
eurjchem-2303	415	21	cc	cc	NOUN
eurjchem-2303	415	22	by	by	ADP
eurjchem-2303	415	23	nc	nc	PROPN
eurjchem-2303	415	24	)	)	PUNCT
eurjchem-2303	415	25	(	(	PUNCT
eurjchem-2303	415	26	international	international	ADJ
eurjchem-2303	415	27	,	,	PUNCT
eurjchem-2303	415	28	v4.0	v4.0	NOUN
eurjchem-2303	415	29	)	)	PUNCT
eurjchem-2303	415	30	license	license	NOUN
eurjchem-2303	415	31	(	(	PUNCT
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eurjchem-2303	415	33	)	)	PUNCT
eurjchem-2303	415	34	.	.	PUNCT
eurjchem-2303	416	1	by	by	ADP
eurjchem-2303	416	2	accessing	access	VERB
eurjchem-2303	416	3	the	the	DET
eurjchem-2303	416	4	work	work	NOUN
eurjchem-2303	416	5	,	,	PUNCT
eurjchem-2303	416	6	you	you	PRON
eurjchem-2303	416	7	hereby	hereby	ADV
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eurjchem-2303	416	9	the	the	DET
eurjchem-2303	416	10	terms	term	NOUN
eurjchem-2303	416	11	.	.	PUNCT
eurjchem-2303	417	1	this	this	PRON
eurjchem-2303	417	2	is	be	AUX
eurjchem-2303	417	3	an	an	DET
eurjchem-2303	417	4	open	open	ADJ
eurjchem-2303	417	5	access	access	NOUN
eurjchem-2303	417	6	article	article	NOUN
eurjchem-2303	417	7	distributed	distribute	VERB
eurjchem-2303	417	8	under	under	ADP
eurjchem-2303	417	9	the	the	DET
eurjchem-2303	417	10	terms	term	NOUN
eurjchem-2303	417	11	and	and	CCONJ
eurjchem-2303	417	12	conditions	condition	NOUN
eurjchem-2303	417	13	of	of	ADP
eurjchem-2303	417	14	the	the	DET
eurjchem-2303	417	15	cc	cc	PROPN
eurjchem-2303	417	16	by	by	ADP
eurjchem-2303	417	17	nc	nc	PROPN
eurjchem-2303	417	18	license	license	PROPN
eurjchem-2303	417	19	,	,	PUNCT
eurjchem-2303	417	20	which	which	PRON
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eurjchem-2303	417	22	unrestricted	unrestricted	ADJ
eurjchem-2303	417	23	non	non	ADJ
eurjchem-2303	417	24	-	-	ADJ
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eurjchem-2303	417	26	use	use	NOUN
eurjchem-2303	417	27	,	,	PUNCT
eurjchem-2303	417	28	distribution	distribution	NOUN
eurjchem-2303	417	29	,	,	PUNCT
eurjchem-2303	417	30	and	and	CCONJ
eurjchem-2303	417	31	reproduction	reproduction	NOUN
eurjchem-2303	417	32	in	in	ADP
eurjchem-2303	417	33	any	any	DET
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eurjchem-2303	417	35	,	,	PUNCT
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eurjchem-2303	417	37	the	the	DET
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eurjchem-2303	417	42	cited	cite	VERB
eurjchem-2303	417	43	without	without	ADP
eurjchem-2303	417	44	any	any	DET
eurjchem-2303	417	45	further	further	ADJ
eurjchem-2303	417	46	permission	permission	NOUN
eurjchem-2303	417	47	from	from	ADP
eurjchem-2303	417	48	atlanta	atlanta	PROPN
eurjchem-2303	417	49	publishing	publishing	PROPN
eurjchem-2303	417	50	house	house	PROPN
eurjchem-2303	417	51	llc	llc	PROPN
eurjchem-2303	417	52	(	(	PUNCT
eurjchem-2303	417	53	european	european	PROPN
eurjchem-2303	417	54	journal	journal	PROPN
eurjchem-2303	417	55	of	of	ADP
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eurjchem-2303	417	57	)	)	PUNCT
eurjchem-2303	417	58	.	.	PUNCT
eurjchem-2303	418	1	no	no	DET
eurjchem-2303	418	2	use	use	NOUN
eurjchem-2303	418	3	,	,	PUNCT
eurjchem-2303	418	4	distribution	distribution	NOUN
eurjchem-2303	418	5	or	or	CCONJ
eurjchem-2303	418	6	reproduction	reproduction	NOUN
eurjchem-2303	418	7	is	be	AUX
eurjchem-2303	418	8	permitted	permit	VERB
eurjchem-2303	418	9	which	which	PRON
eurjchem-2303	418	10	does	do	AUX
eurjchem-2303	418	11	not	not	PART
eurjchem-2303	418	12	comply	comply	VERB
eurjchem-2303	418	13	with	with	ADP
eurjchem-2303	418	14	these	these	DET
eurjchem-2303	418	15	terms	term	NOUN
eurjchem-2303	418	16	.	.	PUNCT
eurjchem-2303	419	1	permissions	permission	NOUN
eurjchem-2303	419	2	for	for	ADP
eurjchem-2303	419	3	commercial	commercial	ADJ
eurjchem-2303	419	4	use	use	NOUN
eurjchem-2303	419	5	of	of	ADP
eurjchem-2303	419	6	this	this	DET
eurjchem-2303	419	7	work	work	NOUN
eurjchem-2303	419	8	beyond	beyond	ADP
eurjchem-2303	419	9	the	the	DET
eurjchem-2303	419	10	scope	scope	NOUN
eurjchem-2303	419	11	of	of	ADP
eurjchem-2303	419	12	the	the	DET
eurjchem-2303	419	13	license	license	NOUN
eurjchem-2303	419	14	(	(	PUNCT
eurjchem-2303	419	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2303	419	16	)	)	PUNCT
eurjchem-2303	419	17	are	be	AUX
eurjchem-2303	419	18	administered	administer	VERB
eurjchem-2303	419	19	by	by	ADP
eurjchem-2303	419	20	atlanta	atlanta	PROPN
eurjchem-2303	419	21	publishing	publishing	PROPN
eurjchem-2303	419	22	house	house	PROPN
eurjchem-2303	419	23	llc	llc	PROPN
eurjchem-2303	419	24	(	(	PUNCT
eurjchem-2303	419	25	european	european	PROPN
eurjchem-2303	419	26	journal	journal	PROPN
eurjchem-2303	419	27	of	of	ADP
eurjchem-2303	419	28	chemistry	chemistry	NOUN
eurjchem-2303	419	29	)	)	PUNCT
eurjchem-2303	419	30	.	.	PUNCT
eurjchem-2303	420	1	https://www.pymol.org/	https://www.pymol.org/	NOUN
eurjchem-2303	421	1	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	VERB
eurjchem-2303	421	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2303	421	3	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2303	421	4	1	1	NUM
eurjchem-2303	421	5	.	.	PUNCT
eurjchem-2303	421	6	introduction	introduction	NOUN
eurjchem-2303	421	7	2	2	NUM
eurjchem-2303	421	8	.	.	PUNCT
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eurjchem-2303	421	10	2.1	2.1	NUM
eurjchem-2303	421	11	.	.	PUNCT
eurjchem-2303	421	12	instrumentation	instrumentation	NOUN
eurjchem-2303	421	13	2.2	2.2	NUM
eurjchem-2303	421	14	.	.	PUNCT
eurjchem-2303	421	15	synthesis	synthesis	NOUN
eurjchem-2303	421	16	of	of	ADP
eurjchem-2303	421	17	n-(2	n-(2	NOUN
eurjchem-2303	421	18	-	-	PUNCT
eurjchem-2303	421	19	methoxy	methoxy	ADJ
eurjchem-2303	421	20	-	-	PUNCT
eurjchem-2303	421	21	benzyl)-acetamide	benzyl)-acetamide	NOUN
eurjchem-2303	421	22	(	(	PUNCT
eurjchem-2303	421	23	2mba	2mba	NUM
eurjchem-2303	421	24	)	)	PUNCT
eurjchem-2303	421	25	2.3	2.3	NUM
eurjchem-2303	421	26	.	.	PUNCT
eurjchem-2303	422	1	single	single	ADJ
eurjchem-2303	422	2	crystal	crystal	NOUN
eurjchem-2303	422	3	structure	structure	NOUN
eurjchem-2303	422	4	determination	determination	NOUN
eurjchem-2303	422	5	2.4	2.4	NUM
eurjchem-2303	422	6	.	.	PUNCT
eurjchem-2303	423	1	hirshfeld	hirshfeld	PROPN
eurjchem-2303	423	2	surface	surface	PROPN
eurjchem-2303	423	3	analysis	analysis	NOUN
eurjchem-2303	423	4	2.5	2.5	NUM
eurjchem-2303	423	5	.	.	PUNCT
eurjchem-2303	424	1	computational	computational	ADJ
eurjchem-2303	424	2	study	study	NOUN
eurjchem-2303	424	3	3	3	NUM
eurjchem-2303	424	4	.	.	NOUN
eurjchem-2303	424	5	results	result	NOUN
eurjchem-2303	424	6	and	and	CCONJ
eurjchem-2303	424	7	discussion	discussion	NOUN
eurjchem-2303	424	8	3.1	3.1	NUM
eurjchem-2303	424	9	.	.	PUNCT
eurjchem-2303	425	1	single	single	ADJ
eurjchem-2303	425	2	crystal	crystal	NOUN
eurjchem-2303	425	3	structure	structure	NOUN
eurjchem-2303	425	4	analysis	analysis	NOUN
eurjchem-2303	425	5	3.2	3.2	NUM
eurjchem-2303	425	6	.	.	PUNCT
eurjchem-2303	426	1	hirshfeld	hirshfeld	PROPN
eurjchem-2303	426	2	surface	surface	NOUN
eurjchem-2303	426	3	analysis	analysis	NOUN
eurjchem-2303	426	4	3.3	3.3	NUM
eurjchem-2303	426	5	.	.	PUNCT
eurjchem-2303	427	1	dft	dft	PROPN
eurjchem-2303	427	2	studies	study	NOUN
eurjchem-2303	427	3	3.3.1	3.3.1	NUM
eurjchem-2303	427	4	.	.	PUNCT
eurjchem-2303	427	5	frontier	frontier	NOUN
eurjchem-2303	427	6	molecular	molecular	ADJ
eurjchem-2303	427	7	orbitals	orbital	NOUN
eurjchem-2303	427	8	3.3.2	3.3.2	NUM
eurjchem-2303	427	9	.	.	PUNCT
eurjchem-2303	428	1	molecular	molecular	ADJ
eurjchem-2303	428	2	electrostatic	electrostatic	ADJ
eurjchem-2303	428	3	potential	potential	ADJ
eurjchem-2303	428	4	3.4	3.4	NUM
eurjchem-2303	428	5	.	.	PUNCT
eurjchem-2303	428	6	molecular	molecular	ADJ
eurjchem-2303	428	7	docking	dock	VERB
eurjchem-2303	428	8	3.5	3.5	NUM
eurjchem-2303	428	9	.	.	PUNCT
eurjchem-2303	429	1	swiss	swiss	ADJ
eurjchem-2303	429	2	adme	adme	NOUN
eurjchem-2303	429	3	studies	study	NOUN
eurjchem-2303	429	4	4	4	NUM
eurjchem-2303	429	5	.	.	PUNCT
eurjchem-2303	430	1	conclusions	conclusion	NOUN
eurjchem-2303	430	2	acknowledgments	acknowledgment	NOUN
eurjchem-2303	430	3	supporting	support	VERB
eurjchem-2303	430	4	information	information	NOUN
eurjchem-2303	430	5	disclosure	disclosure	NOUN
eurjchem-2303	430	6	statement	statement	NOUN
eurjchem-2303	430	7	credit	credit	NOUN
eurjchem-2303	430	8	authorship	authorship	NOUN
eurjchem-2303	430	9	contribution	contribution	NOUN
eurjchem-2303	430	10	statement	statement	NOUN
eurjchem-2303	430	11	orcid	orcid	NOUN
eurjchem-2303	430	12	and	and	CCONJ
eurjchem-2303	430	13	email	email	NOUN
eurjchem-2303	430	14	references	reference	NOUN
eurjchem-2303	430	15	printfield10	printfield10	PROPN
eurjchem-2303	430	16	:	:	PUNCT
eurjchem-2303	430	17	printfield11	printfield11	NOUN
eurjchem-2303	430	18	:	:	PUNCT
eurjchem-2303	430	19	printfield12	printfield12	PROPN
eurjchem-2303	430	20	:	:	PUNCT
eurjchem-2303	430	21	printfield13	printfield13	VERB
eurjchem-2303	430	22	:	:	PUNCT
eurjchem-2303	430	23	printfield14	printfield14	NOUN
eurjchem-2303	430	24	:	:	PUNCT
eurjchem-2303	430	25	printfield15	printfield15	NOUN
eurjchem-2303	430	26	:	:	PUNCT
eurjchem-2303	430	27	printfield16	printfield16	ADJ
eurjchem-2303	430	28	:	:	PUNCT
eurjchem-2303	430	29	printfield17	printfield17	NOUN
eurjchem-2303	430	30	:	:	PUNCT
eurjchem-2303	430	31	printfield18	printfield18	NOUN
eurjchem-2303	430	32	:	:	PUNCT
eurjchem-2303	430	33	printfield19	printfield19	NOUN
eurjchem-2303	430	34	:	:	PUNCT
eurjchem-2303	430	35	printfield110	printfield110	PROPN
eurjchem-2303	430	36	:	:	PUNCT
eurjchem-2303	430	37	printfield20	printfield20	PROPN
eurjchem-2303	430	38	:	:	PUNCT
eurjchem-2303	430	39	printfield21	printfield21	ADJ
eurjchem-2303	430	40	:	:	PUNCT
eurjchem-2303	430	41	printfield22	printfield22	NOUN
eurjchem-2303	430	42	:	:	PUNCT
eurjchem-2303	430	43	printfield23	printfield23	NOUN
eurjchem-2303	430	44	:	:	PUNCT
eurjchem-2303	430	45	printfield24	printfield24	NOUN
eurjchem-2303	430	46	:	:	PUNCT
eurjchem-2303	430	47	printfield25	printfield25	NOUN
eurjchem-2303	430	48	:	:	PUNCT
eurjchem-2303	430	49	printfield26	printfield26	ADJ
eurjchem-2303	430	50	:	:	PUNCT
eurjchem-2303	430	51	printfield27	printfield27	NOUN
eurjchem-2303	430	52	:	:	PUNCT
eurjchem-2303	430	53	printfield28	printfield28	NOUN
eurjchem-2303	430	54	:	:	PUNCT
eurjchem-2303	430	55	printfield29	printfield29	ADV
eurjchem-2303	430	56	:	:	PUNCT
eurjchem-2303	430	57	printfield210	printfield210	PROPN
eurjchem-2303	430	58	:	:	PUNCT