smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cc(=O)c2c(OCC(COc3cccc4oc(C(=O)OCC)cc(=O)c34)OC(=O)[C@@H]([NH3+])CCCC[NH3+])cccc2o1	ZINC000003914388	561684463	/nfs/dbraw/zinc/68/44/63/561684463.db2.gz	NGJJDHCBOKNREV-FQEVSTJZSA-N	2	1	652.653	3.079	10	0	investigational	KGAEMP
CCOC(=O)c1cc(=O)c2c(OCC(COc3cccc4oc(C(=O)OCC)cc(=O)c34)OC(=O)[C@H]([NH3+])CCCC[NH3+])cccc2o1	ZINC000004215474	561694373	/nfs/dbraw/zinc/69/43/73/561694373.db2.gz	NGJJDHCBOKNREV-HXUWFJFHSA-N	2	1	652.653	3.079	10	0	in-man	KGAEMP
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	553642023	/nfs/dbraw/zinc/64/20/23/553642023.db2.gz	NGSAYZAPVYNVHK-YAUKWVCOSA-N	2	1	680.798	3.031	10	0	in-vitro	KGAEMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](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	562788077	/nfs/dbraw/zinc/78/80/77/562788077.db2.gz	NDMPLJNOPCLANR-PETVRERISA-N	2	1	768.952	3.420	10	0		KGAEMP
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](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	562788076	/nfs/dbraw/zinc/78/80/76/562788076.db2.gz	NDMPLJNOPCLANR-PETVRERISA-N	2	1	768.952	3.420	10	0		KGAEMP
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	562788075	/nfs/dbraw/zinc/78/80/75/562788075.db2.gz	NDMPLJNOPCLANR-PETVRERISA-N	2	1	768.952	3.420	10	0		KGAEMP