smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000002565774	571683496	/nfs/dbraw/zinc/68/34/96/571683496.db2.gz	PABVKUJVLNMOJP-WHFBIAKZSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL
N[C@H](CS)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000050027524	571768394	/nfs/dbraw/zinc/76/83/94/571768394.db2.gz	BUXAPSQPMALTOY-RFZPGFLSSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL
N[C@@H](CCC(=O)[O-])C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050026770	571764534	/nfs/dbraw/zinc/76/45/34/571764534.db2.gz	PABVKUJVLNMOJP-CRCLSJGQSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL
Nc1nc(N)c(N=C2C(=O)[N-]C(=O)NC2=O)c(=O)[n-]1	ZINC000205490637	373132937	/nfs/dbraw/zinc/13/29/37/373132937.db2.gz	MSCJOCIRBGYMCP-UHFFFAOYSA-N	-2	3	265.189	-2.627	10	30		CAEEHL
N[C@H](CCC(=O)[O-])C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050027223	571766812	/nfs/dbraw/zinc/76/68/12/571766812.db2.gz	PABVKUJVLNMOJP-RFZPGFLSSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL
N[C@H](CS)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000050027485	571767643	/nfs/dbraw/zinc/76/76/43/571767643.db2.gz	BUXAPSQPMALTOY-UHNVWZDZSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL
Nc1nc2nc(CC(=O)C(=O)[O-])c(=O)[nH]c2c(=O)[n-]1	ZINC000136986852	372890556	/nfs/dbraw/zinc/89/05/56/372890556.db2.gz	BNJFLPKUALUAFG-UPHRSURJSA-N	-2	3	265.185	-1.746	10	30		CAEEHL
N[C@@H](CS)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000050027049	571765705	/nfs/dbraw/zinc/76/57/05/571765705.db2.gz	BUXAPSQPMALTOY-CRCLSJGQSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL
N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000013551899	571704507	/nfs/dbraw/zinc/70/45/07/571704507.db2.gz	PABVKUJVLNMOJP-UHNVWZDZSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL
O=C(N[O-])[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000224594886	373659548	/nfs/dbraw/zinc/65/95/48/373659548.db2.gz	VFQAKQZKOBLFCE-AIHAYLRMSA-N	-3	3	291.149	-3.955	10	30		CAEEHL
N[C@@H](CS)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000040439558	571761411	/nfs/dbraw/zinc/76/14/11/571761411.db2.gz	BUXAPSQPMALTOY-WHFBIAKZSA-N	-2	3	250.276	-1.322	10	30	endogenous,in-man	CAEEHL