smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1oc2cc(S(=O)(=O)[N-]c3ccccc3)ccc2c2ccc(S(=O)(=O)[N-]c3ccccc3)cc12	ZINC000002874418	552207346	/nfs/dbraw/zinc/20/73/46/552207346.db2.gz	SPYGRCMZVHGHFX-UHFFFAOYSA-N	-2	3	506.561	4.548	50	5		KJBAHL
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)[N-]c4ccc(OC)cc4)ccc32)cc1	ZINC000002877425	552207956	/nfs/dbraw/zinc/20/79/56/552207956.db2.gz	WCBNANMJCLQYMD-UHFFFAOYSA-N	-2	3	566.613	4.565	50	5		KJBAHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1	ZINC000002953804	552229962	/nfs/dbraw/zinc/22/99/62/552229962.db2.gz	AAUDEQWKYYGMJF-UHFFFAOYSA-N	-2	3	502.357	4.503	50	5		KJBAHL
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3)cc2)c1	ZINC000003143054	552295779	/nfs/dbraw/zinc/29/57/79/552295779.db2.gz	CEZGWUTYYZCLFE-UHFFFAOYSA-N	-2	3	570.561	4.897	50	5		KJBAHL
O=C([N-]c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])o1	ZINC000012614229	553402547	/nfs/dbraw/zinc/40/25/47/553402547.db2.gz	QINNZZFNGQDCAF-UHFFFAOYSA-N	-2	3	500.714	4.657	50	5		KJBAHL
CCOC(=O)c1cc(CC)sc1[N-]c1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000097982536	554003438	/nfs/dbraw/zinc/00/34/38/554003438.db2.gz	BGNXGDSGECFJQA-UHFFFAOYSA-N	-2	3	527.584	4.883	50	5		KJBAHL
O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000150450927	571502833	/nfs/dbraw/zinc/50/28/33/571502833.db2.gz	DGDCAWAJCGPTHN-UHFFFAOYSA-N	-2	3	672.141	4.939	50	5		KJBAHL