smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2nc3c(=O)n(-c4ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc4)cc-3[nH]c2c(=O)[nH]1	ZINC000001745460	194133250	/nfs/dbraw/zinc/13/32/50/194133250.db2.gz	KRSGNZLDIIQEHN-SNVBAGLBSA-N	-2	2	467.398	-0.545	40	0		JBABLL
Nc1nc2nc3c(=O)n(-c4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc-3[nH]c2c(=O)[nH]1	ZINC000002035058	194156453	/nfs/dbraw/zinc/15/64/53/194156453.db2.gz	KRSGNZLDIIQEHN-JTQLQIEISA-N	-2	2	467.398	-0.545	40	0		JBABLL
Nc1nc(=O)c2c([nH]1)NCC(CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)=N2	ZINC000011536135	571693427	/nfs/dbraw/zinc/69/34/27/571693427.db2.gz	UXFQDXABPXWSTK-ZDUSSCGKSA-N	-2	2	471.430	-0.439	40	0	endogenous,in-man	JBABLL
O=C([O-])[C@@H]1O[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000038401488	574414367	/nfs/dbraw/zinc/41/43/67/574414367.db2.gz	FNTJVYCFNVUBOL-BJQFSTQPSA-N	-2	2	462.363	-0.152	40	0	endogenous,in-man	JBABLL
Nc1nc(=O)c2c([nH]1)NC=C(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O	ZINC000169748282	1068438067	/nfs/dbraw/zinc/43/80/67/1068438067.db2.gz	OWYGALWYBAVELB-ZDUSSCGKSA-N	-2	2	471.430	-0.258	40	0		JBABLL