smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(F)cccc1/C=N/c1ccc(Cl)c(Cl)c1	ZINC000000225143	570264562	/nfs/dbraw/zinc/26/45/62/570264562.db2.gz	JUDLVLLYHBNSRR-REZTVBANSA-N	-1	1	284.117	4.589	50	30		CJEAMM
CCCCCCCCCc1c([O-])c2ccccc2[nH]c1=O	ZINC000002027858	169769055	/nfs/dbraw/zinc/76/90/55/169769055.db2.gz	XEACNRPMIOZISV-UHFFFAOYSA-N	-1	1	287.403	4.527	50	30		CJEAMM
Cc1cc([O-])c(C(=O)/C=C/c2cc3ccccc3o2)cc1C	ZINC000004025938	567855195	/nfs/dbraw/zinc/85/51/95/567855195.db2.gz	JTEKWRBWTNXNPR-BQYQJAHWSA-N	-1	1	292.334	4.651	50	30		CJEAMM
O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc([O-])cc1	ZINC000004836752	170026557	/nfs/dbraw/zinc/02/65/57/170026557.db2.gz	QOSCTBAYXJCLFA-CMDGGOBGSA-N	-1	1	293.149	4.595	50	30		CJEAMM
O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1	ZINC000005944612	170160317	/nfs/dbraw/zinc/16/03/17/170160317.db2.gz	DXRYJTYVYNBKKK-KRXBUXKQSA-N	-1	1	293.149	4.595	50	30		CJEAMM
O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc([O-])cc1	ZINC000005944613	170160596	/nfs/dbraw/zinc/16/05/96/170160596.db2.gz	SQTHPNPUVZHDRR-XBXARRHUSA-N	-1	1	293.149	4.595	50	30		CJEAMM
CCCCc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1	ZINC000027518165	171518683	/nfs/dbraw/zinc/51/86/83/171518683.db2.gz	LFLVYHVGNKJGBV-NTEUORMPSA-N	-1	1	280.367	4.631	50	30		CJEAMM
CCCCCCCCCCCCCC[P@](=O)([O-])O	ZINC000036178975	541109910	/nfs/dbraw/zinc/10/99/10/541109910.db2.gz	BVQJQTMSTANITJ-UHFFFAOYSA-N	-1	1	278.373	4.865	50	30	in-vivo	CJEAMM
CCCCCCCCCCSc1nc(C)cc(=O)[n-]1	ZINC000100564950	528126625	/nfs/dbraw/zinc/12/66/25/528126625.db2.gz	GINQUKIQWBTGMY-UHFFFAOYSA-N	-1	1	282.453	4.723	50	30		CJEAMM
[O-]N=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	ZINC000257357717	566922568	/nfs/dbraw/zinc/92/25/68/566922568.db2.gz	PNMGPRJUKKTPSV-UHFFFAOYSA-N	-1	1	293.364	4.762	50	30		CJEAMM