smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CCC[C@H]([NH3+])[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000096142421	717141485	/nfs/dbraw/zinc/14/14/85/717141485.db2.gz	WRZIFDSAAJXGLF-POIRXMRUSA-O	2	3	575.859	4.575	1	5		KJBFHP
CC(C)CCC[C@@H]([NH3+])[C@@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000096142422	717141564	/nfs/dbraw/zinc/14/15/64/717141564.db2.gz	WRZIFDSAAJXGLF-ZAWGRPLOSA-O	2	3	575.859	4.575	1	5		KJBFHP
CC(C)CCC[C@H]([NH3+])[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000096142423	717141453	/nfs/dbraw/zinc/14/14/53/717141453.db2.gz	WRZIFDSAAJXGLF-SLIQZPKDSA-O	2	3	575.859	4.575	1	5		KJBFHP
CC(C)CCC[C@@H]([NH3+])[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000096142424	717141375	/nfs/dbraw/zinc/14/13/75/717141375.db2.gz	WRZIFDSAAJXGLF-DPQQAJDOSA-O	2	3	575.859	4.575	1	5		KJBFHP
CC(C)CCC[C@@H]([NH3+])[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C	ZINC000169693600	717156894	/nfs/dbraw/zinc/15/68/94/717156894.db2.gz	WRZIFDSAAJXGLF-HRGVLLENSA-O	2	3	575.859	4.575	1	5		KJBFHP
CC(C)CCC[C@H]([NH3+])[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C	ZINC000169693601	717157167	/nfs/dbraw/zinc/15/71/67/717157167.db2.gz	WRZIFDSAAJXGLF-SUPSZETBSA-O	2	3	575.859	4.575	1	5		KJBFHP
CC(C)CCC[C@@H]([NH3+])[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C	ZINC000169693602	717157221	/nfs/dbraw/zinc/15/72/21/717157221.db2.gz	WRZIFDSAAJXGLF-DAWPFODSSA-O	2	3	575.859	4.575	1	5		KJBFHP
CC(C)CCC[C@H]([NH3+])[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C	ZINC000169693603	717156987	/nfs/dbraw/zinc/15/69/87/717156987.db2.gz	WRZIFDSAAJXGLF-KDOVYOPCSA-O	2	3	575.859	4.575	1	5		KJBFHP