smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2ccccc2c([O-])c1N=Nc1c([O-])c2ccccc2[nH]c1=O	ZINC000253623588	244040401	/nfs/dbraw/zinc/04/04/01/244040401.db2.gz	QVWDMFCYTPFDBR-QURGRASLSA-N	-2	0	348.318	4.021	50	10		EICARL
O=S(=O)([N-]c1cc(Cl)c([O-])c2ccccc12)c1cccs1	ZINC000000207306	563988450	/nfs/dbraw/zinc/98/84/50/563988450.db2.gz	HUWAMJAMAUCVCJ-UHFFFAOYSA-N	-2	0	339.825	4.061	50	10		EICARL
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000004151197	210133138	/nfs/dbraw/zinc/13/31/38/210133138.db2.gz	NXNMRMWZQDVZGA-UHFFFAOYSA-N	-2	0	349.386	4.168	50	10		EICARL
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C(=O)[O-])c2)cc1	ZINC000000559547	258048723	/nfs/dbraw/zinc/04/87/23/258048723.db2.gz	YBKYGBLZJWTBLO-UHFFFAOYSA-N	-2	0	349.386	4.168	50	10		EICARL
O=c1[nH]c2ccccc2c([O-])c1N=Nc1c([O-])c2ccccc2[nH]c1=O	ZINC000253536287	564133060	/nfs/dbraw/zinc/13/30/60/564133060.db2.gz	QVWDMFCYTPFDBR-UHFFFAOYSA-N	-2	0	348.318	4.021	50	10		EICARL