smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O	ZINC000012647538	379443461	/nfs/dbraw/zinc/44/34/61/379443461.db2.gz	RHQLTXWDELCZFK-UHFFFAOYSA-N	0	2	340.317	-0.207	40	5		EBBBLN
COC(=O)C1=C[C@]2([N+](=O)[O-])C[N@H+](CCC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000033821811	419061482	/nfs/dbraw/zinc/06/14/82/419061482.db2.gz	QXOOGOHQMFCNBK-OLZOCXBDSA-N	0	2	343.292	-0.299	40	5		EBBBLN
COC(=O)C1=C[C@]2([N+](=O)[O-])C[N@@H+](CCC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000033821811	419061487	/nfs/dbraw/zinc/06/14/87/419061487.db2.gz	QXOOGOHQMFCNBK-OLZOCXBDSA-N	0	2	343.292	-0.299	40	5		EBBBLN
COC(=O)C1=C[C@@]2([N+](=O)[O-])C[N@H+](CCC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000015022439	419290571	/nfs/dbraw/zinc/29/05/71/419290571.db2.gz	QXOOGOHQMFCNBK-QWHCGFSZSA-N	0	2	343.292	-0.299	40	5		EBBBLN
COC(=O)C1=C[C@@]2([N+](=O)[O-])C[N@@H+](CCC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000015022439	419290574	/nfs/dbraw/zinc/29/05/74/419290574.db2.gz	QXOOGOHQMFCNBK-QWHCGFSZSA-N	0	2	343.292	-0.299	40	5		EBBBLN
O=C([O-])CC[N@@H+]1C[C@]2([N+](=O)[O-])C[C@@]([N+](=O)[O-])(CC=C2OCCO)C1	ZINC000012362984	304053655	/nfs/dbraw/zinc/05/36/55/304053655.db2.gz	JTAPXUXKTORBBV-QWHCGFSZSA-N	0	2	345.308	-0.506	40	5		EBBBLN
O=C([O-])CC[N@H+]1C[C@]2([N+](=O)[O-])C[C@@]([N+](=O)[O-])(CC=C2OCCO)C1	ZINC000012362984	304053656	/nfs/dbraw/zinc/05/36/56/304053656.db2.gz	JTAPXUXKTORBBV-QWHCGFSZSA-N	0	2	345.308	-0.506	40	5		EBBBLN
Cn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000223312598	419471750	/nfs/dbraw/zinc/47/17/50/419471750.db2.gz	VXUBXWOMBOBJEC-UHFFFAOYSA-N	0	2	340.317	-0.207	40	5		EBBBLN