smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000263515214	672881221	/nfs/dbraw/zinc/88/12/21/672881221.db2.gz	ZLFATSPELCUVFC-MRVPVSSYSA-N	-2	1	354.743	1.919	10	5		FDBEML
O=C([O-])c1cccc(N2C(=O)C[C@@H](Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)c1	ZINC000016901004	211171948	/nfs/dbraw/zinc/17/19/48/211171948.db2.gz	UJTDLRJONJONCQ-CYBMUJFWSA-N	-2	1	371.305	1.743	10	5		FDBEML
O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000016900910	220195744	/nfs/dbraw/zinc/19/57/44/220195744.db2.gz	YIDCWZLIYWCPRG-CYBMUJFWSA-N	-2	1	371.305	1.743	10	5		FDBEML
CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000263515215	672881331	/nfs/dbraw/zinc/88/13/31/672881331.db2.gz	ZLFATSPELCUVFC-QMMMGPOBSA-N	-2	1	354.743	1.919	10	5		FDBEML
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000102310410	209234280	/nfs/dbraw/zinc/23/42/80/209234280.db2.gz	YIDCWZLIYWCPRG-ZDUSSCGKSA-N	-2	1	371.305	1.743	10	5		FDBEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1O	ZINC000226862661	209368693	/nfs/dbraw/zinc/36/86/93/209368693.db2.gz	QHPNSVKMXUUGKR-UHFFFAOYSA-N	-2	1	356.287	1.939	10	5		FDBEML
O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1	ZINC000013340964	220065166	/nfs/dbraw/zinc/06/51/66/220065166.db2.gz	SZCOILPFPUNNQF-UHFFFAOYSA-N	-2	1	366.307	1.792	10	5		FDBEML
O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005942031	956874782	/nfs/dbraw/zinc/87/47/82/956874782.db2.gz	WFMPTANBHWGEMW-UHFFFAOYSA-N	-2	1	352.324	1.859	10	5		FDBEML
O=C([O-])c1cccc(N2C(=O)C[C@H](Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)c1	ZINC000102310562	222294064	/nfs/dbraw/zinc/29/40/64/222294064.db2.gz	UJTDLRJONJONCQ-ZDUSSCGKSA-N	-2	1	371.305	1.743	10	5		FDBEML