smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1cc2ccc(=O)oc2c(CC=C(C)C)c1[O-]	ZINC000014444509	290878250	/nfs/dbraw/zinc/87/82/50/290878250.db2.gz	GSHLMLPFDNHBHO-UHFFFAOYSA-N	-1	1	298.382	4.516	1	0	biogenic,in-vitro	CJAFMM
C=C1C=Cc2c(CC=C(C)C)c3ccoc3c([O-])c2O1	ZINC000085633096	290877388	/nfs/dbraw/zinc/87/73/88/290877388.db2.gz	VBCDFFLIMQXJBC-UHFFFAOYSA-N	-1	1	268.312	4.566	1	0	biogenic,in-vitro	CJAFMM
CCCCCCn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000095595950	185015461	/nfs/dbraw/zinc/01/54/61/185015461.db2.gz	NXVBNYCEJOUACC-UHFFFAOYSA-N	-1	1	295.839	4.841	1	0		CJAFMM
[O-]c1cc(Cl)ccc1Oc1ccc2ccccc2c1	ZINC000095601211	185015327	/nfs/dbraw/zinc/01/53/27/185015327.db2.gz	PDNCXSWHFTWSBA-UHFFFAOYSA-N	-1	1	270.715	4.991	1	0		CJAFMM