smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCc1cccc(Cl)c1[O-])c1nn(-c2ccccc2)cc1[O-]	ZINC001606868166	1097464284	/nfs/dbraw/zinc/46/42/84/1097464284.db2.gz	LMIUXHNQBWACME-UHFFFAOYSA-N	-2	1	343.770	2.867	10	10		EFCEML
Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821172863	1277476415	/nfs/dbraw/zinc/47/64/15/1277476415.db2.gz	GRSLAVQWPXBFMT-UHFFFAOYSA-N	-2	1	339.323	2.656	10	10		EFCEML
COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000584597079	479191891	/nfs/dbraw/zinc/19/18/91/479191891.db2.gz	XHZXIVFLJWVBNB-UHFFFAOYSA-N	-2	1	349.195	2.903	10	10		EFCEML
CCOc1ccncc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000821190873	1277466010	/nfs/dbraw/zinc/46/60/10/1277466010.db2.gz	HDHCQMXVLDYJPG-UHFFFAOYSA-N	-2	1	328.777	2.640	10	10		EFCEML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1	ZINC000790606446	1277682650	/nfs/dbraw/zinc/68/26/50/1277682650.db2.gz	HFWPFUTXQBCIIM-UHFFFAOYSA-N	-2	1	343.307	2.829	10	10		EFCEML
CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753017606	725531694	/nfs/dbraw/zinc/53/16/94/725531694.db2.gz	MSVAIUFKWIZJLX-UHFFFAOYSA-N	-2	1	329.324	2.870	10	10		EFCEML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1F	ZINC000753016210	1324771917	/nfs/dbraw/zinc/77/19/17/1324771917.db2.gz	IUVKJYNEFURBSS-UHFFFAOYSA-N	-2	1	348.258	2.519	10	10		EFCEML
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1c(Cl)nc2sccn21	ZINC000070330148	1101775857	/nfs/dbraw/zinc/77/58/57/1101775857.db2.gz	RHCILFCNVKVFMO-UHFFFAOYSA-N	-2	1	347.780	2.695	10	10		EFCEML
CCOc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753022645	725533353	/nfs/dbraw/zinc/53/33/53/725533353.db2.gz	ZSNCIWVOHVMRIR-UHFFFAOYSA-N	-2	1	329.324	2.870	10	10		EFCEML
Cc1n[nH]cc1-c1n[n-]c(=NCc2c([O-])ccc(Cl)c2F)s1	ZINC000377022735	477606882	/nfs/dbraw/zinc/60/68/82/477606882.db2.gz	GKNHIBIXPHASMH-UHFFFAOYSA-N	-2	1	339.783	2.769	10	10		EFCEML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1[O-]	ZINC000133754339	713307055	/nfs/dbraw/zinc/30/70/55/713307055.db2.gz	MRJYDXCENOGTGU-UHFFFAOYSA-N	-2	1	328.733	2.755	10	10		EFCEML