smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cnc(Cl)c(Cl)c1	ZINC000070330146	1292255708	/nfs/dbraw/zinc/25/57/08/1292255708.db2.gz	ULTWJUMAPVQGJQ-UHFFFAOYSA-N	-2	3	337.159	3.034	10	10		EGCEHL
CC(C)CCc1cc([O-])cc2c1C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000005453871	201057623	/nfs/dbraw/zinc/05/76/23/201057623.db2.gz	HQIGXKMUTUJEER-UHFFFAOYSA-N	-2	3	326.348	3.167	10	10	in-vitro	EGCEHL
CCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(NC(C)=O)c2)cc1	ZINC000012536096	258054606	/nfs/dbraw/zinc/05/46/06/258054606.db2.gz	DUMLZRKUFJYNDO-UHFFFAOYSA-N	-2	3	348.424	3.104	10	10		EGCEHL
CC(C)=CCc1c(=O)cc2oc3c(O)c([O-])ccc3c([O-])c-2c1[O-]	ZINC000014763039	453543470	/nfs/dbraw/zinc/54/34/70/453543470.db2.gz	NPQLJYVRPMRCAL-UHFFFAOYSA-N	-3	3	328.320	3.277	10	10	biogenic,in-vitro	EGCEHL
COc1cc(/C=C/c2ccc3ccc(C=O)c([O-])c3n2)cc([O-])c1O	ZINC000066347694	215034617	/nfs/dbraw/zinc/03/46/17/215034617.db2.gz	FESVWPFJUBUQAT-QHHAFSJGSA-N	-2	3	337.331	3.343	10	10		EGCEHL
CCCCCc1cc([O-])cc2c1C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000005551464	560202325	/nfs/dbraw/zinc/20/23/25/560202325.db2.gz	BAAGPGLSSCBBBB-UHFFFAOYSA-N	-2	3	326.348	3.312	10	10	in-vitro	EGCEHL
O=C(NCc1cccc(Cl)c1[O-])c1ncc2ccccc2c1[O-]	ZINC001159041530	1381536488	/nfs/dbraw/zinc/53/64/88/1381536488.db2.gz	QRPKDCRVGACWER-UHFFFAOYSA-N	-2	3	328.755	3.229	10	10		EGCEHL
COc1cccc([O-])c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC001298841222	1383437138	/nfs/dbraw/zinc/43/71/38/1383437138.db2.gz	KLPFAEKASCGLJI-UHFFFAOYSA-N	-2	3	342.178	3.343	10	10		EGCEHL
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccc(Br)c1	ZINC000085200952	1292719102	/nfs/dbraw/zinc/71/91/02/1292719102.db2.gz	AZIMOYRZKKKIKI-UHFFFAOYSA-N	-2	3	346.177	3.095	10	10		EGCEHL
COc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(C(F)(F)F)c1	ZINC000075110495	453862229	/nfs/dbraw/zinc/86/22/29/453862229.db2.gz	OEVGRINZIDPJJR-UHFFFAOYSA-N	-2	3	347.314	3.220	10	10		EGCEHL
O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccccc1Br	ZINC000085200982	1292719068	/nfs/dbraw/zinc/71/90/68/1292719068.db2.gz	NANGSXYBEZVJSI-UHFFFAOYSA-N	-2	3	346.177	3.095	10	10		EGCEHL