smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000048312088	570233457	/nfs/dbraw/zinc/23/34/57/570233457.db2.gz	JBJOFCBIYOIHPQ-UHFFFAOYSA-N	2	2	376.413	1.504	50	5		GDBALP
C[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)CC1	ZINC000020575047	207205163	/nfs/dbraw/zinc/20/51/63/207205163.db2.gz	HDXCTUPHJKHDRV-UHFFFAOYSA-N	2	2	398.467	1.635	50	5		GDBALP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1	ZINC000089977315	211187027	/nfs/dbraw/zinc/18/70/27/211187027.db2.gz	KPGSVJLSWOVOIY-QGZVFWFLSA-N	2	2	376.457	1.673	50	5		GDBALP
CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1	ZINC000089977315	211187030	/nfs/dbraw/zinc/18/70/30/211187030.db2.gz	KPGSVJLSWOVOIY-QGZVFWFLSA-N	2	2	376.457	1.673	50	5		GDBALP
CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1	ZINC000089977316	211188274	/nfs/dbraw/zinc/18/82/74/211188274.db2.gz	KPGSVJLSWOVOIY-KRWDZBQOSA-N	2	2	376.457	1.673	50	5		GDBALP
CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1	ZINC000089977316	211188277	/nfs/dbraw/zinc/18/82/77/211188277.db2.gz	KPGSVJLSWOVOIY-KRWDZBQOSA-N	2	2	376.457	1.673	50	5		GDBALP