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-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000008815629	553151693	/nfs/dbraw/zinc/15/16/93/553151693.db2.gz	USZCHEOJRZZZGI-UHFFFAOYSA-N	-2	1	501.464	4.215	50	5		KIBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OCc1ccccc1Cl	ZINC000059603598	554410239	/nfs/dbraw/zinc/41/02/39/554410239.db2.gz	SFNVSELWJAPMPT-SREVYHEPSA-N	-2	1	555.712	4.400	50	5		KIBAML
COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[N+](=O)[O-])c2)c1	ZINC000102248377	554903725	/nfs/dbraw/zinc/90/37/25/554903725.db2.gz	RPWNMTBEICMRQL-UHFFFAOYSA-N	-2	1	528.930	4.180	50	5		KIBAML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OCc1ccccc1	ZINC000102560407	554967532	/nfs/dbraw/zinc/96/75/32/554967532.db2.gz	YDXZDXDERPJIQF-CMDGGOBGSA-N	-2	1	535.294	4.136	50	5		KIBAML
COc1ccc([N-]S(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc2[N+](=O)[O-])C3=O)cc1	ZINC000150400091	571477968	/nfs/dbraw/zinc/47/79/68/571477968.db2.gz	WJVDXVYWNIMPFH-UHFFFAOYSA-N	-2	1	640.608	4.333	50	5		KIBAML