smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC[NH2+]CCCCOc1cccc([N+](=O)[O-])c1	ZINC000005049502	170061158	/nfs/dbraw/zinc/06/11/58/170061158.db2.gz	LQJJFHFZXBNAPE-UHFFFAOYSA-N	2	2	281.356	1.905	50	5		CDBALP
C[NH+](C)CC(C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071772747	358846326	/nfs/dbraw/zinc/84/63/26/358846326.db2.gz	IDOQIVCBQMDERR-UHFFFAOYSA-N	2	2	295.339	1.243	50	5		CDBALP
Cc1cc(OCCC[NH2+]CC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000005049340	170060751	/nfs/dbraw/zinc/06/07/51/170060751.db2.gz	YEEUVCWBBXWMGL-UHFFFAOYSA-N	2	2	281.356	1.823	50	5		CDBALP
O=[N+]([O-])c1ccc(-n2cc[nH+]c2)cc1N1CC[NH2+]CC1	ZINC000038518565	275034839	/nfs/dbraw/zinc/03/48/39/275034839.db2.gz	HGTYHXHOEQDHOA-UHFFFAOYSA-N	2	2	273.296	1.190	50	5		CDBALP
O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCn1cc[nH+]c1)CC2	ZINC000097373840	356094797	/nfs/dbraw/zinc/09/47/97/356094797.db2.gz	DVQLHLMAIGOSLD-UHFFFAOYSA-N	2	2	273.296	1.245	50	5		CDBALP
O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCn1cc[nH+]c1)CC2	ZINC000097373840	356094801	/nfs/dbraw/zinc/09/48/01/356094801.db2.gz	DVQLHLMAIGOSLD-UHFFFAOYSA-N	2	2	273.296	1.245	50	5		CDBALP
Cc1c(NC(=O)C[NH2+]CCC[NH+](C)C)cccc1[N+](=O)[O-]	ZINC000002649498	375285842	/nfs/dbraw/zinc/28/58/42/375285842.db2.gz	VNCHLVIFGAAAFX-UHFFFAOYSA-N	2	2	294.355	1.383	50	5		CDBALP