id	sid	tid	token	lemma	pos
k930bv76q4n	1	1	in	in	ADP
k930bv76q4n	1	2	the	the	DET
k930bv76q4n	1	3	pharmaceutical	pharmaceutical	ADJ
k930bv76q4n	1	4	industry	industry	NOUN
k930bv76q4n	1	5	,	,	PUNCT
k930bv76q4n	1	6	the	the	DET
k930bv76q4n	1	7	absolute	absolute	ADJ
k930bv76q4n	1	8	configurations	configuration	NOUN
k930bv76q4n	1	9	of	of	ADP
k930bv76q4n	1	10	chiral	chiral	ADJ
k930bv76q4n	1	11	compounds	compound	NOUN
k930bv76q4n	1	12	need	need	VERB
k930bv76q4n	1	13	to	to	PART
k930bv76q4n	1	14	be	be	AUX
k930bv76q4n	1	15	produced	produce	VERB
k930bv76q4n	1	16	with	with	ADP
k930bv76q4n	1	17	high	high	ADJ
k930bv76q4n	1	18	purity	purity	NOUN
k930bv76q4n	1	19	.	.	PUNCT
k930bv76q4n	2	1	asymmetric	asymmetric	ADJ
k930bv76q4n	2	2	catalysis	catalysis	NOUN
k930bv76q4n	2	3	has	have	AUX
k930bv76q4n	2	4	been	be	AUX
k930bv76q4n	2	5	used	use	VERB
k930bv76q4n	2	6	to	to	PART
k930bv76q4n	2	7	generate	generate	VERB
k930bv76q4n	2	8	products	product	NOUN
k930bv76q4n	2	9	with	with	ADP
k930bv76q4n	2	10	high	high	ADJ
k930bv76q4n	2	11	yields	yield	NOUN
k930bv76q4n	2	12	and	and	CCONJ
k930bv76q4n	2	13	high	high	ADJ
k930bv76q4n	2	14	selectivities	selectivity	NOUN
k930bv76q4n	2	15	.	.	PUNCT
k930bv76q4n	3	1	to	to	PART
k930bv76q4n	3	2	find	find	VERB
k930bv76q4n	3	3	the	the	DET
k930bv76q4n	3	4	catalyst	catalyst	NOUN
k930bv76q4n	3	5	that	that	PRON
k930bv76q4n	3	6	gives	give	VERB
k930bv76q4n	3	7	the	the	DET
k930bv76q4n	3	8	best	good	ADJ
k930bv76q4n	3	9	selectivity	selectivity	NOUN
k930bv76q4n	3	10	and	and	CCONJ
k930bv76q4n	3	11	yield	yield	NOUN
k930bv76q4n	3	12	,	,	PUNCT
k930bv76q4n	3	13	a	a	DET
k930bv76q4n	3	14	wide	wide	ADJ
k930bv76q4n	3	15	range	range	NOUN
k930bv76q4n	3	16	of	of	ADP
k930bv76q4n	3	17	ligands	ligand	NOUN
k930bv76q4n	3	18	needs	need	VERB
k930bv76q4n	3	19	to	to	PART
k930bv76q4n	3	20	be	be	AUX
k930bv76q4n	3	21	tested	test	VERB
k930bv76q4n	3	22	.	.	PUNCT
k930bv76q4n	4	1	there	there	PRON
k930bv76q4n	4	2	has	have	AUX
k930bv76q4n	4	3	been	be	AUX
k930bv76q4n	4	4	immense	immense	ADJ
k930bv76q4n	4	5	interest	interest	NOUN
k930bv76q4n	4	6	in	in	ADP
k930bv76q4n	4	7	predictive	predictive	ADJ
k930bv76q4n	4	8	methods	method	NOUN
k930bv76q4n	4	9	that	that	PRON
k930bv76q4n	4	10	could	could	AUX
k930bv76q4n	4	11	search	search	VERB
k930bv76q4n	4	12	through	through	ADP
k930bv76q4n	4	13	ligand	ligand	NOUN
k930bv76q4n	4	14	libraries	library	NOUN
k930bv76q4n	4	15	and	and	CCONJ
k930bv76q4n	4	16	find	find	VERB
k930bv76q4n	4	17	which	which	DET
k930bv76q4n	4	18	ligands	ligand	NOUN
k930bv76q4n	4	19	could	could	AUX
k930bv76q4n	4	20	give	give	VERB
k930bv76q4n	4	21	the	the	DET
k930bv76q4n	4	22	best	good	ADJ
k930bv76q4n	4	23	selectivity	selectivity	ADJ
k930bv76q4n	4	24	rather	rather	ADV
k930bv76q4n	4	25	than	than	ADP
k930bv76q4n	4	26	experimentally	experimentally	ADV
k930bv76q4n	4	27	testing	test	VERB
k930bv76q4n	4	28	hundreds	hundred	NOUN
k930bv76q4n	4	29	of	of	ADP
k930bv76q4n	4	30	ligands	ligand	NOUN
k930bv76q4n	4	31	so	so	ADV
k930bv76q4n	4	32	just	just	ADV
k930bv76q4n	4	33	testing	test	VERB
k930bv76q4n	4	34	the	the	DET
k930bv76q4n	4	35	5	5	NUM
k930bv76q4n	4	36	-	-	SYM
k930bv76q4n	4	37	10	10	NUM
k930bv76q4n	4	38	ligands	ligand	NOUN
k930bv76q4n	4	39	give	give	VERB
k930bv76q4n	4	40	the	the	DET
k930bv76q4n	4	41	best	good	ADJ
k930bv76q4n	4	42	results	result	NOUN
k930bv76q4n	4	43	.	.	PUNCT
k930bv76q4n	5	1	the	the	DET
k930bv76q4n	5	2	quantum	quantum	NOUN
k930bv76q4n	5	3	-	-	PUNCT
k930bv76q4n	5	4	guided	guide	VERB
k930bv76q4n	5	5	molecular	molecular	ADJ
k930bv76q4n	5	6	mechanics	mechanic	NOUN
k930bv76q4n	5	7	(	(	PUNCT
k930bv76q4n	5	8	q2	q2	PROPN
k930bv76q4n	5	9	mm	mm	PROPN
k930bv76q4n	5	10	)	)	PUNCT
k930bv76q4n	5	11	method	method	NOUN
k930bv76q4n	5	12	has	have	AUX
k930bv76q4n	5	13	been	be	AUX
k930bv76q4n	5	14	developed	develop	VERB
k930bv76q4n	5	15	to	to	PART
k930bv76q4n	5	16	tackle	tackle	VERB
k930bv76q4n	5	17	this	this	DET
k930bv76q4n	5	18	problem	problem	NOUN
k930bv76q4n	5	19	by	by	ADP
k930bv76q4n	5	20	developing	develop	VERB
k930bv76q4n	5	21	transition	transition	NOUN
k930bv76q4n	5	22	state	state	NOUN
k930bv76q4n	5	23	force	force	NOUN
k930bv76q4n	5	24	fields	field	NOUN
k930bv76q4n	5	25	(	(	PUNCT
k930bv76q4n	5	26	tsffs	tsffs	PROPN
k930bv76q4n	5	27	)	)	PUNCT
k930bv76q4n	5	28	as	as	ADP
k930bv76q4n	5	29	a	a	DET
k930bv76q4n	5	30	method	method	NOUN
k930bv76q4n	5	31	to	to	ADP
k930bv76q4n	5	32	predicting	predict	VERB
k930bv76q4n	5	33	stereoselectivity	stereoselectivity	NOUN
k930bv76q4n	5	34	.	.	PUNCT
k930bv76q4n	6	1	this	this	DET
k930bv76q4n	6	2	thesis	thesis	NOUN
k930bv76q4n	6	3	describes	describe	VERB
k930bv76q4n	6	4	the	the	DET
k930bv76q4n	6	5	process	process	NOUN
k930bv76q4n	6	6	of	of	ADP
k930bv76q4n	6	7	developing	develop	VERB
k930bv76q4n	6	8	tsff	tsff	NOUN
k930bv76q4n	6	9	and	and	CCONJ
k930bv76q4n	6	10	a	a	DET
k930bv76q4n	6	11	virtual	virtual	ADJ
k930bv76q4n	6	12	screening	screening	NOUN
k930bv76q4n	6	13	procedure	procedure	NOUN
k930bv76q4n	6	14	that	that	PRON
k930bv76q4n	6	15	automates	automate	VERB
k930bv76q4n	6	16	the	the	DET
k930bv76q4n	6	17	process	process	NOUN
k930bv76q4n	6	18	of	of	ADP
k930bv76q4n	6	19	calculating	calculate	VERB
k930bv76q4n	6	20	selectivity	selectivity	NOUN
k930bv76q4n	6	21	.	.	PUNCT
k930bv76q4n	7	1	there	there	PRON
k930bv76q4n	7	2	are	be	VERB
k930bv76q4n	7	3	two	two	NUM
k930bv76q4n	7	4	tsff	tsff	NOUN
k930bv76q4n	7	5	developed	develop	VERB
k930bv76q4n	7	6	,	,	PUNCT
k930bv76q4n	7	7	for	for	ADP
k930bv76q4n	7	8	the	the	DET
k930bv76q4n	7	9	pd	pd	PROPN
k930bv76q4n	7	10	-	-	PUNCT
k930bv76q4n	7	11	catalyzed	catalyze	VERB
k930bv76q4n	7	12	allylic	allylic	ADJ
k930bv76q4n	7	13	amination	amination	NOUN
k930bv76q4n	7	14	and	and	CCONJ
k930bv76q4n	7	15	pd	pd	PROPN
k930bv76q4n	7	16	-	-	PUNCT
k930bv76q4n	7	17	catalyzed	catalyze	VERB
k930bv76q4n	7	18	1,4	1,4	PROPN
k930bv76q4n	7	19	-	-	PUNCT
k930bv76q4n	7	20	additon	additon	PROPN
k930bv76q4n	7	21	or	or	CCONJ
k930bv76q4n	7	22	arylboronic	arylboronic	ADJ
k930bv76q4n	7	23	acids	acid	NOUN
k930bv76q4n	7	24	to	to	ADP
k930bv76q4n	7	25	enones	enones	PROPN
k930bv76q4n	7	26	,	,	PUNCT
k930bv76q4n	7	27	that	that	PRON
k930bv76q4n	7	28	have	have	AUX
k930bv76q4n	7	29	shown	show	VERB
k930bv76q4n	7	30	the	the	DET
k930bv76q4n	7	31	predictive	predictive	ADJ
k930bv76q4n	7	32	ability	ability	NOUN
k930bv76q4n	7	33	that	that	PRON
k930bv76q4n	7	34	can	can	AUX
k930bv76q4n	7	35	be	be	AUX
k930bv76q4n	7	36	useful	useful	ADJ
k930bv76q4n	7	37	for	for	ADP
k930bv76q4n	7	38	experimentalists	experimentalist	NOUN
k930bv76q4n	7	39	.	.	PUNCT
k930bv76q4n	8	1	there	there	PRON
k930bv76q4n	8	2	are	be	VERB
k930bv76q4n	8	3	two	two	NUM
k930bv76q4n	8	4	additional	additional	ADJ
k930bv76q4n	8	5	tsff	tsff	NOUN
k930bv76q4n	8	6	that	that	PRON
k930bv76q4n	8	7	are	be	AUX
k930bv76q4n	8	8	still	still	ADV
k930bv76q4n	8	9	being	be	AUX
k930bv76q4n	8	10	developed	develop	VERB
k930bv76q4n	8	11	for	for	ADP
k930bv76q4n	8	12	the	the	DET
k930bv76q4n	8	13	rh	rh	PROPN
k930bv76q4n	8	14	-	-	PUNCT
k930bv76q4n	8	15	catalyzed	catalyze	VERB
k930bv76q4n	8	16	1,4	1,4	NOUN
k930bv76q4n	8	17	-	-	PUNCT
k930bv76q4n	8	18	addition	addition	NOUN
k930bv76q4n	8	19	of	of	ADP
k930bv76q4n	8	20	boronic	boronic	ADJ
k930bv76q4n	8	21	acids	acid	NOUN
k930bv76q4n	8	22	to	to	ADP
k930bv76q4n	8	23	enones	enones	PROPN
k930bv76q4n	8	24	and	and	CCONJ
k930bv76q4n	8	25	ir	ir	ADJ
k930bv76q4n	8	26	-	-	PUNCT
k930bv76q4n	8	27	catalyzed	catalyzed	ADJ
k930bv76q4n	8	28	imine	imine	NOUN
k930bv76q4n	8	29	hydrogenation	hydrogenation	NOUN
k930bv76q4n	8	30	that	that	PRON
k930bv76q4n	8	31	are	be	AUX
k930bv76q4n	8	32	also	also	ADV
k930bv76q4n	8	33	presented	present	VERB
k930bv76q4n	8	34	here	here	ADV
k930bv76q4n	8	35	.	.	PUNCT
k930bv76q4n	9	1	lastly	lastly	ADV
k930bv76q4n	9	2	,	,	PUNCT
k930bv76q4n	9	3	force	force	VERB
k930bv76q4n	9	4	field	field	NOUN
k930bv76q4n	9	5	parameters	parameter	NOUN
k930bv76q4n	9	6	for	for	ADP
k930bv76q4n	9	7	a	a	DET
k930bv76q4n	9	8	ferrocene	ferrocene	NOUN
k930bv76q4n	9	9	scaffold	scaffold	NOUN
k930bv76q4n	9	10	are	be	AUX
k930bv76q4n	9	11	verified	verify	VERB
k930bv76q4n	9	12	and	and	CCONJ
k930bv76q4n	9	13	have	have	AUX
k930bv76q4n	9	14	shown	show	VERB
k930bv76q4n	9	15	how	how	SCONJ
k930bv76q4n	9	16	developed	develop	VERB
k930bv76q4n	9	17	force	force	NOUN
k930bv76q4n	9	18	field	field	NOUN
k930bv76q4n	9	19	parameters	parameter	NOUN
k930bv76q4n	9	20	can	can	AUX
k930bv76q4n	9	21	be	be	AUX
k930bv76q4n	9	22	combined	combine	VERB
k930bv76q4n	9	23	and	and	CCONJ
k930bv76q4n	9	24	used	use	VERB
k930bv76q4n	9	25	to	to	PART
k930bv76q4n	9	26	make	make	VERB
k930bv76q4n	9	27	selectivity	selectivity	ADJ
k930bv76q4n	9	28	predictions	prediction	NOUN
k930bv76q4n	9	29	.	.	PUNCT