smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc([C@H](NCc2ccccc2)P(=O)([O-])[O-])cc1	ZINC000012949530	425744099	/nfs/dbraw/zinc/74/40/99/425744099.db2.gz	MNUXVJVGJZPLNT-CQSZACIVSA-N	-2	3	322.257	2.561	50	5		DFBAHL
O=c1oc2cc([O-])ccc2cc1-c1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000020615304	182239711	/nfs/dbraw/zinc/23/97/11/182239711.db2.gz	MCMYFWWOEFBOES-UHFFFAOYSA-N	-2	3	323.264	2.950	50	5		DFBAHL
O=c1oc2cc([O-])ccc2cc1-c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000020615304	182239714	/nfs/dbraw/zinc/23/97/14/182239714.db2.gz	MCMYFWWOEFBOES-UHFFFAOYSA-N	-2	3	323.264	2.950	50	5		DFBAHL
O=C([O-])COc1cc([O-])c2c(=O)c3cc(Cl)ccc3oc2c1	ZINC000005345498	181232261	/nfs/dbraw/zinc/23/22/61/181232261.db2.gz	JJGNYINAFGVMAH-UHFFFAOYSA-N	-2	3	320.684	2.769	50	5		DFBAHL
C/C(=C\c1oc2ccc([O-])cc2c1[N+](=O)[O-])NCCCC(=O)[O-]	ZINC000101125148	277731339	/nfs/dbraw/zinc/73/13/39/277731339.db2.gz	FCNCQTRUJNCCGE-VQHVLOKHSA-N	-2	3	320.301	2.862	50	5		DFBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000012521297	425728703	/nfs/dbraw/zinc/72/87/03/425728703.db2.gz	BRENAWONGMXUPE-UHFFFAOYSA-N	-2	3	322.342	2.718	50	5		DFBAHL
COc1c([O-])ccc(C=C2SC(=S)[N-]C2=O)c1[N+](=O)[O-]	ZINC000015015751	425777538	/nfs/dbraw/zinc/77/75/38/425777538.db2.gz	KYMWKFUCOOTOPD-DAXSKMNVSA-N	-2	3	312.328	2.638	50	5		DFBAHL
O=[N+]([O-])c1ccc([C@@H](NCc2ccccc2)P(=O)([O-])[O-])cc1	ZINC000012949533	425744907	/nfs/dbraw/zinc/74/49/07/425744907.db2.gz	MNUXVJVGJZPLNT-AWEZNQCLSA-N	-2	3	322.257	2.561	50	5		DFBAHL
O=C([O-])COc1cc([O-])c2c(=O)c3ccc(Cl)cc3oc2c1	ZINC000005345932	181232347	/nfs/dbraw/zinc/23/23/47/181232347.db2.gz	HKHWVUYACZIZEA-UHFFFAOYSA-N	-2	3	320.684	2.769	50	5		DFBAHL