smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942597	557203180	/nfs/dbraw/zinc/20/31/80/557203180.db2.gz	CSWNUPOLUWUUAZ-WMZOPIPTSA-N	-2	3	438.396	1.901	40	5		IDBBHL
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(I)c1[O-]	ZINC000096624500	556839407	/nfs/dbraw/zinc/83/94/07/556839407.db2.gz	CJICHCSNGGGKMI-IHWYPQMZSA-N	-2	3	431.142	1.873	40	5		IDBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942594	557203189	/nfs/dbraw/zinc/20/31/89/557203189.db2.gz	CSWNUPOLUWUUAZ-AEFFLSMTSA-N	-2	3	438.396	1.901	40	5		IDBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942591	557203051	/nfs/dbraw/zinc/20/30/51/557203051.db2.gz	CSWNUPOLUWUUAZ-SJLPKXTDSA-N	-2	3	438.396	1.901	40	5		IDBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000016682633	568937721	/nfs/dbraw/zinc/93/77/21/568937721.db2.gz	CSWNUPOLUWUUAZ-FUHWJXTLSA-N	-2	3	438.396	1.901	40	5		IDBBHL
COc1[n-]nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1[N+](=O)[O-]	ZINC000009557273	569297296	/nfs/dbraw/zinc/29/72/96/569297296.db2.gz	VVLFTCAWPQWEER-UHFFFAOYSA-N	-2	3	436.406	1.984	40	5		IDBBHL
COc1n[n-]c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1[N+](=O)[O-]	ZINC000009557273	569297297	/nfs/dbraw/zinc/29/72/97/569297297.db2.gz	VVLFTCAWPQWEER-UHFFFAOYSA-N	-2	3	436.406	1.984	40	5		IDBBHL