smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1=C([O-])c2cc3oc(C(C)=O)c([O-])c3c([O-])c2C(=O)C1=O	ZINC000013298722	560213837	/nfs/dbraw/zinc/21/38/37/560213837.db2.gz	UTQKMDZXMYCSCI-UHFFFAOYSA-N	-3	0	318.237	1.842	3	30	in-vitro	DDEFRL
O=C([O-])C(=O)C=C([O-])c1nc2cncnc2n1Cc1ccccc1	ZINC000101042932	193807579	/nfs/dbraw/zinc/80/75/79/193807579.db2.gz	HUGOAHZZOTZKJP-WUXMJOGZSA-N	-2	0	324.296	1.427	1	30		DDEFRL
C=C(CC/C=C(\C)C(=O)[O-])[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]	ZINC000095912418	560057289	/nfs/dbraw/zinc/05/72/89/560057289.db2.gz	OKFIHTSZDXUGQB-PGPNUJALSA-N	-2	0	311.334	1.117	1	30	biogenic,in-vitro	DDEFRL
O=C([O-])C(=O)C=C([O-])c1ncnc2c1ncn2Cc1ccccc1	ZINC000101075940	193807738	/nfs/dbraw/zinc/80/77/38/193807738.db2.gz	CALZPRFKTJJINT-WDZFZDKYSA-N	-2	0	324.296	1.427	1	30		DDEFRL