smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c([O-])c([C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(=O)[nH]c1=S	ZINC000001321413	568914578	/nfs/dbraw/zinc/91/45/78/568914578.db2.gz	GAIAWCIKELXUFQ-CQSZACIVSA-N	-2	2	403.460	1.738	50	30	biogenic	HDEALL
C=CCn1c([O-])c([C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(=O)[nH]c1=S	ZINC000001321411	568914484	/nfs/dbraw/zinc/91/44/84/568914484.db2.gz	GAIAWCIKELXUFQ-AWEZNQCLSA-N	-2	2	403.460	1.738	50	30	biogenic	HDEALL
N#Cc1cc(C(=O)[O-])c(=O)[nH]c1SCSc1[nH]c(=O)c(C(=O)[O-])cc1C#N	ZINC000002222393	569313281	/nfs/dbraw/zinc/31/32/81/569313281.db2.gz	UFNXBYRZJXVYGG-UHFFFAOYSA-N	-2	2	404.385	1.045	50	30		HDEALL
N#Cc1cc(C(=O)[O-])c(=O)[n-]c1SCSc1[nH]c(=O)c(C(=O)[O-])cc1C#N	ZINC000002222393	569313282	/nfs/dbraw/zinc/31/32/82/569313282.db2.gz	UFNXBYRZJXVYGG-UHFFFAOYSA-N	-3	2	404.385	1.045	50	30		HDEALL