smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=N[C@H]3C(=O)N(c4ccccc4)N=C3C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000150341413	571458169	/nfs/dbraw/zinc/45/81/69/571458169.db2.gz	WBBRXOTXXGMTND-UANRMBORSA-N	-3	2	714.742	5.597	50	10		KKCALL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=N[C@H]3C(=O)N(c4ccccc4)N=C3C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000150341417	571458185	/nfs/dbraw/zinc/45/81/85/571458185.db2.gz	WBBRXOTXXGMTND-ZYAJZPNDSA-N	-3	2	714.742	5.597	50	10		KKCALL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccc(N=N[C@@H]3C(=O)N(c4ccccc4)N=C3C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000095832026	553713697	/nfs/dbraw/zinc/71/36/97/553713697.db2.gz	WBBRXOTXXGMTND-XKHKEKGESA-N	-3	2	714.742	5.597	50	10		KKCALL
COc1cc(-c2ccc(NN=C3C(S(=O)(=O)[O-])=CC4=CC(S(=O)(=O)[O-])=CC(=O)C4=C3O)cc2)ccc1NN=C1C(=O)c2c(O)cc(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-]	ZINC000169716132	571559228	/nfs/dbraw/zinc/55/92/28/571559228.db2.gz	UOZNTABONQLAPW-VHJMTFITSA-N	-6	2	876.834	6.309	50	10		KKCALL
COc1cc(-c2ccc(NN=C3C(=O)c4c(O)cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)ccc1NN=C1C(S(=O)(=O)[O-])=CC2=CC(S(=O)(=O)[O-])=CC(=O)C2=C1O	ZINC000169716132	571559230	/nfs/dbraw/zinc/55/92/30/571559230.db2.gz	UOZNTABONQLAPW-VHJMTFITSA-N	-4	2	876.834	6.309	50	10		KKCALL