smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)c2c(=O)c3ncnnc3[n-]c2n(C)c1=O	ZINC000136562425	372985279	/nfs/dbraw/zinc/98/52/79/372985279.db2.gz	JZPRYUOOOVAWPI-UHFFFAOYSA-N	-1	1	260.213	-1.324	50	5		CABAMM
Cn1c(=O)c2c([O-])c3ncnnc3nc2n(C)c1=O	ZINC000136562425	372985284	/nfs/dbraw/zinc/98/52/84/372985284.db2.gz	JZPRYUOOOVAWPI-UHFFFAOYSA-N	-1	1	260.213	-1.324	50	5		CABAMM
Cn1c([O-])c([N+](=O)[O-])c(NCCN2CCOCC2)nc1=O	ZINC000019800879	373489609	/nfs/dbraw/zinc/48/96/09/373489609.db2.gz	QBXHDWCSWDCDAK-UHFFFAOYSA-N	-1	1	299.287	-1.274	50	5		CABAMM
Cn1c(=O)[n-]c(NCCN2CCOCC2)c([N+](=O)[O-])c1=O	ZINC000019800879	373489624	/nfs/dbraw/zinc/48/96/24/373489624.db2.gz	QBXHDWCSWDCDAK-UHFFFAOYSA-N	-1	1	299.287	-1.274	50	5		CABAMM
Cc1n[n-]c2nc3c(c(=O)c-2n1)c(=O)n(C)c(=O)n3C	ZINC000108805790	186231663	/nfs/dbraw/zinc/23/16/63/186231663.db2.gz	YKJHVHKJKQMDBF-UHFFFAOYSA-N	-1	1	274.240	-1.016	50	5		CABAMM
Cc1nnc2nc3c(c([O-])c2n1)c(=O)n(C)c(=O)n3C	ZINC000108805790	186231664	/nfs/dbraw/zinc/23/16/64/186231664.db2.gz	YKJHVHKJKQMDBF-UHFFFAOYSA-N	-1	1	274.240	-1.016	50	5		CABAMM
COC(=O)c1[n-]nnc1C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000100832930	277172208	/nfs/dbraw/zinc/17/22/08/277172208.db2.gz	WRDVFRGABGFVSM-UHFFFAOYSA-N	-1	1	276.121	-1.468	50	5		CABAMM
COC(=O)c1n[n-]nc1C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000100832930	277172209	/nfs/dbraw/zinc/17/22/09/277172209.db2.gz	WRDVFRGABGFVSM-UHFFFAOYSA-N	-1	1	276.121	-1.468	50	5		CABAMM