smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)nc([O-])c1[N+](=O)[O-]	ZINC000409329112	231190519	/nfs/dbraw/zinc/19/05/19/231190519.db2.gz	CVNATNIZLUCWCX-DAFODLJHSA-N	-2	1	389.324	1.711	40	5		GDBBML
O=c1[n-]c(C=Cc2ccc(SCCO)c([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409339075	231191480	/nfs/dbraw/zinc/19/14/80/231191480.db2.gz	RNPFNLRHWPRTFU-DUXPYHPUSA-N	-2	1	380.338	1.959	40	5		GDBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)[O-]	ZINC000016688977	570494788	/nfs/dbraw/zinc/49/47/88/570494788.db2.gz	SPSSPGFVFGXAQY-XQRVVYSFSA-N	-2	1	377.309	1.416	40	5		GDBBML
O=C([O-])[C@@H]1NCCN(C(=O)c2ccc3c(ccc4ccccc43)c2)[C@@H]1C(=O)[O-]	ZINC000013831227	221292377	/nfs/dbraw/zinc/29/23/77/221292377.db2.gz	IWWXIZOMXGOTPP-MSOLQXFVSA-N	-2	1	378.384	1.945	40	5	in-vitro	GDBBML