smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCC[NH+](C)C)C2=O)SC1=S	ZINC000101000229	554552321	/nfs/dbraw/zinc/55/23/21/554552321.db2.gz	JWDRMUALQRZYJP-QURGRASLSA-N	2	0	632.896	3.249	40	10		KGCBRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCOc1ccc(/N=N/c2ccc(OCCN3C(=O)C=CC3=O)cc2)cc1	ZINC000585150706	1059086176	/nfs/dbraw/zinc/08/61/76/1059086176.db2.gz	GASIJNRJXCZQHA-ULDVOPSXSA-N	4	0	565.719	3.073	40	10		KGCBRP