smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1n[n-]c(NC(=O)c2ccnnc2)n1	ZINC000159459232	345437499	/nfs/dbraw/zinc/43/74/99/345437499.db2.gz	DTHKLQPFEUCQOZ-UHFFFAOYSA-N	-1	3	220.192	-0.144	20	70		BBIDHM
COc1nc(NC(=O)c2ccnnc2)n[n-]1	ZINC000159459232	345437497	/nfs/dbraw/zinc/43/74/97/345437497.db2.gz	DTHKLQPFEUCQOZ-UHFFFAOYSA-N	-1	3	220.192	-0.144	20	70		BBIDHM
COc1nnc(NC(=O)c2ccnnc2)[n-]1	ZINC000159459232	345437494	/nfs/dbraw/zinc/43/74/94/345437494.db2.gz	DTHKLQPFEUCQOZ-UHFFFAOYSA-N	-1	3	220.192	-0.144	20	70		BBIDHM
O=C(NCCO)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000159470376	322969964	/nfs/dbraw/zinc/96/99/64/322969964.db2.gz	LOEPAINSZCQBCR-UHFFFAOYSA-N	-1	3	234.211	-0.708	20	70		BBIDHM
[O-]c1cc(F)cc(CNC(CO)CO)c1	ZINC000159605735	183033464	/nfs/dbraw/zinc/03/34/64/183033464.db2.gz	XXOVUPLFWCCIJM-UHFFFAOYSA-N	-1	3	215.224	-0.026	20	70		BBIDHM
[O-]c1cc(F)cc(CNC[C@H](O)CO)c1	ZINC000159607074	183111240	/nfs/dbraw/zinc/11/12/40/183111240.db2.gz	ZCUSOMQHXRCUJM-JTQLQIEISA-N	-1	3	215.224	-0.026	20	70		BBIDHM
[O-]c1cc(F)cc(CNC[C@@H](O)CO)c1	ZINC000159607198	183142841	/nfs/dbraw/zinc/14/28/41/183142841.db2.gz	ZCUSOMQHXRCUJM-SNVBAGLBSA-N	-1	3	215.224	-0.026	20	70		BBIDHM
CCOC(=O)C[C@@H](C)NC(=O)c1cn[n-]n1	ZINC000160343603	490107931	/nfs/dbraw/zinc/10/79/31/490107931.db2.gz	TZSZNWUCKKCCJK-ZCFIWIBFSA-N	-1	3	226.236	-0.124	20	70		BBIDHM
CCOC(=O)C[C@@H](C)NC(=O)c1cnn[n-]1	ZINC000160343603	490107925	/nfs/dbraw/zinc/10/79/25/490107925.db2.gz	TZSZNWUCKKCCJK-ZCFIWIBFSA-N	-1	3	226.236	-0.124	20	70		BBIDHM
CCOC(=O)C[C@@H](C)NC(=O)c1c[n-]nn1	ZINC000160343603	490107917	/nfs/dbraw/zinc/10/79/17/490107917.db2.gz	TZSZNWUCKKCCJK-ZCFIWIBFSA-N	-1	3	226.236	-0.124	20	70		BBIDHM
CCOC(=O)C[C@H](C)NC(=O)c1cn[n-]n1	ZINC000160343741	170233155	/nfs/dbraw/zinc/23/31/55/170233155.db2.gz	TZSZNWUCKKCCJK-LURJTMIESA-N	-1	3	226.236	-0.124	20	70		BBIDHM
CCOC(=O)C[C@H](C)NC(=O)c1cnn[n-]1	ZINC000160343741	170233153	/nfs/dbraw/zinc/23/31/53/170233153.db2.gz	TZSZNWUCKKCCJK-LURJTMIESA-N	-1	3	226.236	-0.124	20	70		BBIDHM
CCOC(=O)C[C@H](C)NC(=O)c1c[n-]nn1	ZINC000160343741	170233152	/nfs/dbraw/zinc/23/31/52/170233152.db2.gz	TZSZNWUCKKCCJK-LURJTMIESA-N	-1	3	226.236	-0.124	20	70		BBIDHM
CCc1cc(=O)[n-]c(CN2CCNC(=O)C2)n1	ZINC000160521069	384417555	/nfs/dbraw/zinc/41/75/55/384417555.db2.gz	KQDHWDVGTAMXHL-UHFFFAOYSA-N	-1	3	236.275	-0.324	20	70		BBIDHM
O=C(CN1CC(=O)[N-]C1=O)NC1CC=CC1	ZINC000160772412	538910258	/nfs/dbraw/zinc/91/02/58/538910258.db2.gz	AMZZVXVLEDHYCK-UHFFFAOYSA-N	-1	3	223.232	-0.627	20	70		BBIDHM
CCCNS(=O)(=O)[N-]CC(F)(F)CN	ZINC000160969774	361334160	/nfs/dbraw/zinc/33/41/60/361334160.db2.gz	JCESEMLANIDHSN-UHFFFAOYSA-N	-1	3	231.268	-0.586	20	70		BBIDHM
CC(C)NS(=O)(=O)[N-]CC(F)(F)CN	ZINC000160970331	167126062	/nfs/dbraw/zinc/12/60/62/167126062.db2.gz	BHKXZCFADLAWCA-UHFFFAOYSA-N	-1	3	231.268	-0.587	20	70		BBIDHM
CCCNS(=O)(=O)[N-]CC(=O)OCC	ZINC000160975908	169271962	/nfs/dbraw/zinc/27/19/62/169271962.db2.gz	LVXUDQDRJWVVKB-UHFFFAOYSA-N	-1	3	224.282	-0.617	20	70		BBIDHM