smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(I)c1[O-]	ZINC000009763253	569566618	/nfs/dbraw/zinc/56/66/18/569566618.db2.gz	CJICHCSNGGGKMI-NSCUHMNNSA-N	-2	3	431.142	1.873	50	5		IDBAHL
COc1[n-]nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)c1[N+](=O)[O-]	ZINC000008440409	569464253	/nfs/dbraw/zinc/46/42/53/569464253.db2.gz	MTVXITIYCYETAS-UHFFFAOYSA-N	-2	3	449.405	1.178	50	5		IDBAHL
COc1n[n-]c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)c1[N+](=O)[O-]	ZINC000008440409	569464254	/nfs/dbraw/zinc/46/42/54/569464254.db2.gz	MTVXITIYCYETAS-UHFFFAOYSA-N	-2	3	449.405	1.178	50	5		IDBAHL
COc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)c4[n-]c(=O)c(=O)n(C)c4c3c2)cc1	ZINC000009560759	562973268	/nfs/dbraw/zinc/97/32/68/562973268.db2.gz	NEKWOFOCHXTXHW-UHFFFAOYSA-N	-2	3	429.410	1.143	50	5		IDBAHL
CCn1c(=O)c(=O)[n-]c2c(=O)oc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc3c21	ZINC000009560755	562973232	/nfs/dbraw/zinc/97/32/32/562973232.db2.gz	OKUANNVBJOCVAW-UHFFFAOYSA-N	-2	3	443.437	1.626	50	5		IDBAHL