smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](CS)CC(=O)[O-]	ZINC000095559826	185379989	/nfs/dbraw/zinc/37/99/89/185379989.db2.gz	SLHBJWAKFWGTGR-RQJHMYQMSA-N	-2	0	306.340	-0.897	1	30		DBEFRL
C[C@@H]1CCC(N=Nc2nn[n-]n2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466062	183072857	/nfs/dbraw/zinc/07/28/57/183072857.db2.gz	AMOYXTMCUCKGGV-MQMMVLLVSA-N	-2	0	304.270	-0.374	1	30		DBEFRL
O=C([O-])C1=CC(=CC=[N+]2CCC[C@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000034944096	571752511	/nfs/dbraw/zinc/75/25/11/571752511.db2.gz	RJIIQBYZGJSODH-MNOVXSKESA-O	-2	0	309.298	-0.342	1	30	endogenous,in-man	DBEFRL
O=C([O-])C1=CC(=CC=[N+]2CCC[C@@H]2C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000071756654	571780294	/nfs/dbraw/zinc/78/02/94/571780294.db2.gz	RJIIQBYZGJSODH-WDEREUQCSA-O	-2	0	309.298	-0.342	1	30	endogenous,in-man	DBEFRL
CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CS)CC(=O)[O-]	ZINC000095559825	185380033	/nfs/dbraw/zinc/38/00/33/185380033.db2.gz	SLHBJWAKFWGTGR-BQBZGAKWSA-N	-2	0	306.340	-0.897	1	30		DBEFRL
O=C(COP(=O)([O-])[O-])N(O)CCCCOP(=O)([O-])[O-]	ZINC000058638510	184125644	/nfs/dbraw/zinc/12/56/44/184125644.db2.gz	GZQWGEFAYHQQKX-UHFFFAOYSA-N	-4	0	323.131	-0.797	1	30	in-vitro	DBEFRL
COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)NO)cc1	ZINC000040407300	183062017	/nfs/dbraw/zinc/06/20/17/183062017.db2.gz	QVAVQQVTOJMLHH-UHFFFAOYSA-N	-2	0	318.307	-0.724	1	30		DBEFRL
O=C([O-])C1=CC(=CC=[N+]2CCC[C@@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000001531184	571680167	/nfs/dbraw/zinc/68/01/67/571680167.db2.gz	RJIIQBYZGJSODH-GHMZBOCLSA-O	-2	0	309.298	-0.342	1	30	endogenous,in-man	DBEFRL
C[C@H]1CCC(N=Nc2nn[n-]n2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466065	183072589	/nfs/dbraw/zinc/07/25/89/183072589.db2.gz	AMOYXTMCUCKGGV-HUNBHSMMSA-N	-2	0	304.270	-0.374	1	30		DBEFRL
NS(=O)(=O)c1nnc(/N=C(/CCC(=O)[O-])C(=O)[O-])s1	ZINC000005922851	181296362	/nfs/dbraw/zinc/29/63/62/181296362.db2.gz	ZWLYVYGBCGSNSD-OQFOIZHKSA-N	-2	0	308.297	-0.793	1	30		DBEFRL