smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN1c2ccccc2CC[C@@H](N[C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000011677553	204350598	/nfs/dbraw/zinc/35/05/98/204350598.db2.gz	MADRIHWFJGRSBP-QZTJIDSGSA-N	-2	1	396.443	2.095	10	0		GEAEML
O=C([O-])CN1c2ccccc2CC[C@H](N[C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000005851742	560203527	/nfs/dbraw/zinc/20/35/27/560203527.db2.gz	MADRIHWFJGRSBP-ZWKOTPCHSA-N	-2	1	396.443	2.095	10	0	in-vitro	GEAEML
CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)[O-]	ZINC000263511598	645667279	/nfs/dbraw/zinc/66/72/79/645667279.db2.gz	XZQWRWFKTCDOAT-JTQLQIEISA-N	-2	1	384.237	2.312	10	0		GEAEML
O=C([O-])CN1c2ccccc2CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000001849543	206392816	/nfs/dbraw/zinc/39/28/16/206392816.db2.gz	MADRIHWFJGRSBP-MSOLQXFVSA-N	-2	1	396.443	2.095	10	0		GEAEML
O=C([O-])c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000035209373	570263782	/nfs/dbraw/zinc/26/37/82/570263782.db2.gz	JRDUMHWSINMIIF-UHFFFAOYSA-N	-2	1	398.387	2.300	10	0		GEAEML
CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)[O-]	ZINC000263511599	645667126	/nfs/dbraw/zinc/66/71/26/645667126.db2.gz	XZQWRWFKTCDOAT-SNVBAGLBSA-N	-2	1	384.237	2.312	10	0		GEAEML
O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000150266725	532300799	/nfs/dbraw/zinc/30/07/99/532300799.db2.gz	XXZHJFLGRARWDZ-UHFFFAOYSA-N	-2	1	375.175	2.482	10	0		GEAEML