smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Cc1ccc(NCc2cc(F)c(F)cc2[O-])cc1)C(=O)[O-]	ZINC001592877015	979742430	/nfs/dbraw/zinc/74/24/30/979742430.db2.gz	GTAZXSDWXONSQO-JTQLQIEISA-N	-2	3	321.323	3.546	20	10		DHCDHL
CC(C)(C(=O)[O-])c1ccc(NCc2cccc(F)c2[O-])cc1	ZINC001589641517	987564316	/nfs/dbraw/zinc/56/43/16/987564316.db2.gz	USJIOGIYFSPFDB-UHFFFAOYSA-N	-2	3	303.333	3.506	20	10		DHCDHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2occc2c1	ZINC001198862396	1037149355	/nfs/dbraw/zinc/14/93/55/1037149355.db2.gz	SZHUNGPZMXZUPT-UHFFFAOYSA-N	-2	3	323.757	3.593	20	10		DHCDHL
COCc1cc(NCc2c([O-])cccc2Cl)cc(C(=O)[O-])c1	ZINC001599290029	997048656	/nfs/dbraw/zinc/04/86/56/997048656.db2.gz	XTBFHNPVVXUCAT-UHFFFAOYSA-N	-2	3	321.760	3.502	20	10		DHCDHL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1Cl)c1ccsc1	ZINC001185384273	1037120951	/nfs/dbraw/zinc/12/09/51/1037120951.db2.gz	SSECUELMZDJGGI-UHFFFAOYSA-N	-2	3	324.210	3.561	20	10		DHCDHL
C[C@H](Cc1ccc(NCc2cc(F)c(F)cc2[O-])cc1)C(=O)[O-]	ZINC001592877016	979742612	/nfs/dbraw/zinc/74/26/12/979742612.db2.gz	GTAZXSDWXONSQO-SNVBAGLBSA-N	-2	3	321.323	3.546	20	10		DHCDHL
O=S(=O)([N-]c1ccc([O-])cc1F)c1cc2ccccc2s1	ZINC001185454682	1037147727	/nfs/dbraw/zinc/14/77/27/1037147727.db2.gz	SCMZSYOVVBGGFZ-UHFFFAOYSA-N	-2	3	323.370	3.547	20	10		DHCDHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(C2CC2)cc1	ZINC001190499845	1038327860	/nfs/dbraw/zinc/32/78/60/1038327860.db2.gz	LGDCIRNYYGPQRE-UHFFFAOYSA-N	-2	3	323.801	3.724	20	10		DHCDHL
CC(C)(C(=O)[O-])c1ccc(NCc2cc(F)c(F)cc2[O-])cc1	ZINC001589641194	987563740	/nfs/dbraw/zinc/56/37/40/987563740.db2.gz	MFPOCOWBQYAQJQ-UHFFFAOYSA-N	-2	3	321.323	3.645	20	10		DHCDHL
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc2ccccc2s1	ZINC001185454917	1037148619	/nfs/dbraw/zinc/14/86/19/1037148619.db2.gz	VCGISCUMAKGHLX-UHFFFAOYSA-N	-2	3	323.370	3.547	20	10		DHCDHL
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1csc2ccccc21	ZINC001186493176	1037420690	/nfs/dbraw/zinc/42/06/90/1037420690.db2.gz	AGVOPMHQKHKZLL-UHFFFAOYSA-N	-2	3	323.370	3.547	20	10		DHCDHL
O=C([O-])CCc1cccc(NCc2c([O-])cccc2Cl)c1	ZINC001595066647	951554703	/nfs/dbraw/zinc/55/47/03/951554703.db2.gz	RTEYKEKWHUGYPT-UHFFFAOYSA-N	-2	3	305.761	3.675	20	10		DHCDHL
CN(C(=O)[O-])c1ccc(NCc2c([O-])cccc2Cl)cc1	ZINC000833685314	604775768	/nfs/dbraw/zinc/77/57/68/604775768.db2.gz	KSQFVPJWPWYNQY-UHFFFAOYSA-N	-2	3	306.749	3.772	20	10		DHCDHL
CSc1ccc(NCc2cccc(F)c2[O-])cc1C(=O)[O-]	ZINC001599820990	988513351	/nfs/dbraw/zinc/51/33/51/988513351.db2.gz	SJZRRLLPVQAVCJ-UHFFFAOYSA-N	-2	3	307.346	3.564	20	10		DHCDHL
CN(Cc1ccc(NCc2c([O-])cccc2Cl)cc1)C(=O)[O-]	ZINC000737485928	600329227	/nfs/dbraw/zinc/32/92/27/600329227.db2.gz	LSWQROXVIFFBNX-UHFFFAOYSA-N	-2	3	320.776	3.768	20	10		DHCDHL