smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(Cc1ccc2nc(C(N)=O)cc(Cl)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026668353	561811769	/nfs/dbraw/zinc/81/17/69/561811769.db2.gz	PHSPYUDMGUNGMY-NRFANRHFSA-N	-2	2	522.945	2.675	1	30		KFEFLL
CCCCCCCc1noc([C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000037858189	562061846	/nfs/dbraw/zinc/06/18/46/562061846.db2.gz	XSMXYYFPFBYZAM-PMACEKPBSA-N	-2	2	554.537	2.824	1	30		KFEFLL
CCCCCCCc1noc([C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000037858189	562061844	/nfs/dbraw/zinc/06/18/44/562061844.db2.gz	XSMXYYFPFBYZAM-PMACEKPBSA-N	-2	2	554.537	2.824	1	30		KFEFLL
O=C(Nc1ccccc1)C(N=Nc1cc(S(=O)(=O)[O-])ccc1O)=NNc1cc(S(=O)(=O)[O-])ccc1O	ZINC000049783821	562683225	/nfs/dbraw/zinc/68/32/25/562683225.db2.gz	YOARBEPNAHWQLK-DYBOKRGISA-N	-2	2	535.516	2.739	1	30		KFEFLL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(cc5ccc(-c6ccccc6)cc5c4O)C[C@H]3C[C@@H]12	ZINC000071295705	562717326	/nfs/dbraw/zinc/71/73/26/562717326.db2.gz	MEBMFMUEINTSNB-YSZMQTSISA-N	-2	2	540.572	2.941	1	30		KFEFLL
Cc1nc(NCC(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2c(c1)N(O)C(=O)C2C(=O)c1ccccc1	ZINC000103238386	562819150	/nfs/dbraw/zinc/81/91/50/562819150.db2.gz	AZPICIZDBPKHBW-ZCXUNETKSA-N	-2	2	502.530	2.911	1	30		KFEFLL
Cc1cc(O)c2c(O)c3c4c(c2c1)O[C@@]12C(=O)c5cc(C)cc(O)c5C(=O)C1C(=O)C[C@H](O)[C@H]2[C@@H]4[C@@H](O)CC3=O	ZINC000102834966	562813405	/nfs/dbraw/zinc/81/34/05/562813405.db2.gz	FGOBSKJMUFAKJO-GJXVZKDGSA-N	-2	2	544.512	2.851	3	30		KFEFLL