smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000009311371	553239511	/nfs/dbraw/zinc/23/95/11/553239511.db2.gz	QROUHJNPXMFNLE-XKZIYDEJSA-N	-2	2	501.495	3.719	50	10		KHCALL
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000012475576	553371013	/nfs/dbraw/zinc/37/10/13/553371013.db2.gz	QROUHJNPXMFNLE-LPYMAVHISA-N	-2	2	501.495	3.719	50	10		KHCALL
O=C1C=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C(=NNc3ccc(S(=O)(=O)[O-])c4ccccc34)C(O)=C12	ZINC000072099665	553640122	/nfs/dbraw/zinc/64/01/22/553640122.db2.gz	XRBNWBONDUAVJJ-QURGRASLSA-N	-3	2	554.536	3.560	50	10		KHCALL
Cc1[nH]n(-c2cccc(S(=O)(=O)[O-])c2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000256006430	572305000	/nfs/dbraw/zinc/30/50/00/572305000.db2.gz	VGKHKXLKQJVMER-UHFFFAOYSA-N	-2	2	504.502	3.654	50	10		KHCALL