smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CC[C@@]2(O)[C@H]3Cc4cc(-c5cc6c7c(c5O)O[C@H]5C(=O)CC[C@@]8(O)[C@@H](C6)[N@H+](CC6CC6)CC[C@]758)c(O)c5c4[C@@]2(CC[NH+]3CC2CC2)[C@H]1O5	ZINC000072130481	553642022	/nfs/dbraw/zinc/64/20/22/553642022.db2.gz	NGSAYZAPVYNVHK-YAUKWVCOSA-N	2	0	680.798	3.031	10	0	in-vitro	KGAERP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32	ZINC000095627900	562788074	/nfs/dbraw/zinc/78/80/74/562788074.db2.gz	NDMPLJNOPCLANR-PETVRERISA-N	2	0	768.952	3.420	10	0		KGAERP