smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000263144001	165418840	/nfs/dbraw/zinc/41/88/40/165418840.db2.gz	CNIBPZORBPLABV-WFASDCNBSA-N	2	1	331.376	0.665	10	5		ECBEMP
Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000263143997	436952936	/nfs/dbraw/zinc/95/29/36/436952936.db2.gz	CNIBPZORBPLABV-DOMZBBRYSA-N	2	1	331.376	0.665	10	5		ECBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176232870	437135722	/nfs/dbraw/zinc/13/57/22/437135722.db2.gz	UVJMEKLWGUUHOK-ZDUSSCGKSA-N	2	1	325.413	0.816	10	5		ECBEMP
Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000178336724	437212216	/nfs/dbraw/zinc/21/22/16/437212216.db2.gz	MIJJJLQQCFOTKG-HIFRSBDPSA-N	2	1	334.380	0.822	10	5		ECBEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000178336724	437212224	/nfs/dbraw/zinc/21/22/24/437212224.db2.gz	MIJJJLQQCFOTKG-HIFRSBDPSA-N	2	1	334.380	0.822	10	5		ECBEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000174849689	263151415	/nfs/dbraw/zinc/15/14/15/263151415.db2.gz	IWYMMTTYVUEJJT-CYBMUJFWSA-N	2	1	325.413	0.816	10	5		ECBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000174849682	263151459	/nfs/dbraw/zinc/15/14/59/263151459.db2.gz	IWYMMTTYVUEJJT-ZDUSSCGKSA-N	2	1	325.413	0.816	10	5		ECBEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247030856	165150088	/nfs/dbraw/zinc/15/00/88/165150088.db2.gz	MIJJJLQQCFOTKG-DZGCQCFKSA-N	2	1	334.380	0.822	10	5		ECBEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247030856	165150094	/nfs/dbraw/zinc/15/00/94/165150094.db2.gz	MIJJJLQQCFOTKG-DZGCQCFKSA-N	2	1	334.380	0.822	10	5		ECBEMP
Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000263143998	165418994	/nfs/dbraw/zinc/41/89/94/165418994.db2.gz	CNIBPZORBPLABV-IUODEOHRSA-N	2	1	331.376	0.665	10	5		ECBEMP
Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000178336705	437211673	/nfs/dbraw/zinc/21/16/73/437211673.db2.gz	MIJJJLQQCFOTKG-ZFWWWQNUSA-N	2	1	334.380	0.822	10	5		ECBEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000178336705	437211679	/nfs/dbraw/zinc/21/16/79/437211679.db2.gz	MIJJJLQQCFOTKG-ZFWWWQNUSA-N	2	1	334.380	0.822	10	5		ECBEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176232881	278395162	/nfs/dbraw/zinc/39/51/62/278395162.db2.gz	UVJMEKLWGUUHOK-CYBMUJFWSA-N	2	1	325.413	0.816	10	5		ECBEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247030881	165150897	/nfs/dbraw/zinc/15/08/97/165150897.db2.gz	MIJJJLQQCFOTKG-UKRRQHHQSA-N	2	1	334.380	0.822	10	5		ECBEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247030881	165150902	/nfs/dbraw/zinc/15/09/02/165150902.db2.gz	MIJJJLQQCFOTKG-UKRRQHHQSA-N	2	1	334.380	0.822	10	5		ECBEMP
Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000263143999	436952863	/nfs/dbraw/zinc/95/28/63/436952863.db2.gz	CNIBPZORBPLABV-SWLSCSKDSA-N	2	1	331.376	0.665	10	5		ECBEMP