smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001239783	564062484	/nfs/dbraw/zinc/06/24/84/564062484.db2.gz	PQHDDOVQMIUNBG-LICLKQGHSA-N	-2	0	330.413	3.569	50	30		EHEARL
O=C([O-])c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000001245857	563381273	/nfs/dbraw/zinc/38/12/73/563381273.db2.gz	UVEZPFRCKIJTKH-LICLKQGHSA-N	-2	0	330.413	3.569	50	30		EHEARL
O=C([O-])c1ccc(/C=C2\CC/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000013343384	1037237851	/nfs/dbraw/zinc/23/78/51/1037237851.db2.gz	LDWXFKVWGHCKSZ-JYFOCSDGSA-N	-2	0	348.354	3.913	50	30		EHEARL
CCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000100304577	219096134	/nfs/dbraw/zinc/09/61/34/219096134.db2.gz	MLOYYKYQLFOZOE-HNNXBMFYSA-N	-2	0	343.464	3.732	50	30		EHEARL
COc1ccc(/C=C/C(=O)c2cc(CC(=O)[O-])cc(Cl)c2[O-])cc1	ZINC000004528858	210215009	/nfs/dbraw/zinc/21/50/09/210215009.db2.gz	BPAJNYPVLWFFNR-QPJJXVBHSA-N	-2	0	346.766	3.577	50	30		EHEARL
CCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000100304581	219096143	/nfs/dbraw/zinc/09/61/43/219096143.db2.gz	MLOYYKYQLFOZOE-OAHLLOKOSA-N	-2	0	343.464	3.732	50	30		EHEARL