smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1	ZINC000038041461	364556284	/nfs/dbraw/zinc/55/62/84/364556284.db2.gz	ROTSLSUAWLRTDY-UHFFFAOYSA-N	2	1	235.287	1.436	40	5		BDBBMP
O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH2+]CC2)c1	ZINC000052926234	386372000	/nfs/dbraw/zinc/37/20/00/386372000.db2.gz	JCBNOYXEVNQCJL-UHFFFAOYSA-N	2	1	235.287	1.436	40	5		BDBBMP
C[NH+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000057362372	384943842	/nfs/dbraw/zinc/94/38/42/384943842.db2.gz	GESDVFYOEWMINB-UHFFFAOYSA-N	2	1	237.303	1.636	40	5		BDBBMP
C[NH2+]CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000008377116	173349678	/nfs/dbraw/zinc/34/96/78/173349678.db2.gz	JRQRKCGGJSYNCG-UHFFFAOYSA-N	2	1	223.276	1.294	40	5		BDBBMP
C[NH2+]CCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000057362395	173349775	/nfs/dbraw/zinc/34/97/75/173349775.db2.gz	UKQRHXZTGBAGNL-UHFFFAOYSA-N	2	1	223.276	1.294	40	5		BDBBMP