smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=N)n[n+](O)c2ccccc21	4613250	169029647	/nfs/dbraw/zinc/02/96/47/169029647.db2.gz	TVERWXXWVJCVKY-UHFFFAOYSA-N	1	2	176.179	-0.314	1	0		ABAFLO
Nc1nc(N2CCCC2)nc(NO)[nH+]1	29056936	169306223	/nfs/dbraw/zinc/30/62/23/169306223.db2.gz	CRQHGAAKTYSZBM-UHFFFAOYSA-N	1	2	196.214	-0.145	1	0		ABAFLO
Nc1nc(NO)[nH+]c(N2CCCC2)n1	29056936	169306225	/nfs/dbraw/zinc/30/62/25/169306225.db2.gz	CRQHGAAKTYSZBM-UHFFFAOYSA-N	1	2	196.214	-0.145	1	0		ABAFLO
[NH2+]=CN[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	69488493	574416370	/nfs/dbraw/zinc/41/63/70/574416370.db2.gz	FCJOZCKZXDHABX-ZCFIWIBFSA-N	1	2	182.183	-0.398	1	0	endogenous,in-vitro	ABAFLO
[NH2+]=CN[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	69488493	574416371	/nfs/dbraw/zinc/41/63/71/574416371.db2.gz	FCJOZCKZXDHABX-ZCFIWIBFSA-N	1	2	182.183	-0.398	1	0	endogenous,in-vitro	ABAFLO
[NH2+]=CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	69488494	574416399	/nfs/dbraw/zinc/41/63/99/574416399.db2.gz	FCJOZCKZXDHABX-LURJTMIESA-N	1	2	182.183	-0.398	1	0	endogenous,in-vitro	ABAFLO
[NH2+]=CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	69488494	574416400	/nfs/dbraw/zinc/41/64/00/574416400.db2.gz	FCJOZCKZXDHABX-LURJTMIESA-N	1	2	182.183	-0.398	1	0	endogenous,in-vitro	ABAFLO