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-])c1cc(Cl)c([O-])c([N-]S(=O)(=O)/C=C/c2ccccc2)c1	ZINC000005047688	493910917	/nfs/dbraw/zinc/91/09/17/493910917.db2.gz	KBZRWERDGYCIEE-VOTSOKGWSA-N	-2	3	354.771	3.366	50	5		FGBAHL
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c([N-]c2ccccc2C(=O)[O-])c1[N+](=O)[O-]	ZINC000100747085	209217392	/nfs/dbraw/zinc/21/73/92/209217392.db2.gz	QAKHHWHTNOLSMR-UHFFFAOYSA-N	-2	3	362.254	3.161	50	5		FGBAHL
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c([N-]c2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000100569070	222247095	/nfs/dbraw/zinc/24/70/95/222247095.db2.gz	MMPNRHDQNISXQX-UHFFFAOYSA-N	-2	3	362.254	3.161	50	5		FGBAHL
CC(C)c1onc(C(=O)[N-]c2cc(Br)ccc2[O-])c1[N+](=O)[O-]	ZINC000004937490	493901652	/nfs/dbraw/zinc/90/16/52/493901652.db2.gz	OSTVBEXBPKLMRH-UHFFFAOYSA-N	-2	3	370.159	3.427	50	5		FGBAHL
Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(-c2cc(Cl)ccc2[O-])n1	ZINC000048523192	493835003	/nfs/dbraw/zinc/83/50/03/493835003.db2.gz	WSLMTIKDUSAUNN-UHFFFAOYSA-N	-2	3	358.745	3.132	50	5		FGBAHL