smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C(=NNC(=O)c2cc3ccccc3cc2[O-])CC[C@H]1CC(=O)[O-]	ZINC000814694348	978873728	/nfs/dbraw/zinc/87/37/28/978873728.db2.gz	GRDKLHHHRHTWCO-RYUDHWBXSA-N	-2	1	340.379	3.152	20	50		EGGDML
CC(=NNC(=O)c1cc2ccccc2cc1[O-])c1ccc(C(=O)[O-])cc1	ZINC000825804611	604632776	/nfs/dbraw/zinc/63/27/76/604632776.db2.gz	OTRSVCIFDIZMSX-UHFFFAOYSA-N	-2	1	348.358	3.398	20	50		EGGDML
C[C@@H]1C(=NNC(=O)c2cc3ccccc3cc2[O-])CC[C@@H]1CC(=O)[O-]	ZINC000814694347	978873232	/nfs/dbraw/zinc/87/32/32/978873232.db2.gz	GRDKLHHHRHTWCO-NWDGAFQWSA-N	-2	1	340.379	3.152	20	50		EGGDML
CC(=NNC(=O)c1cc(Cl)ccc1[O-])[C@H](C)CCCCC(=O)[O-]	ZINC000814776539	978883911	/nfs/dbraw/zinc/88/39/11/978883911.db2.gz	AGTYCRGYNGJUHX-SNVBAGLBSA-N	-2	1	340.807	3.432	20	50		EGGDML
C[C@H]1C(=NNC(=O)c2cc3ccccc3cc2[O-])CC[C@@H]1CC(=O)[O-]	ZINC000814694349	978873555	/nfs/dbraw/zinc/87/35/55/978873555.db2.gz	GRDKLHHHRHTWCO-VXGBXAGGSA-N	-2	1	340.379	3.152	20	50		EGGDML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CCl)c1	ZINC000318996668	970494867	/nfs/dbraw/zinc/49/48/67/970494867.db2.gz	LWBARBCVXJUWER-UHFFFAOYSA-N	-2	1	339.800	3.233	20	50		EGGDML
CC(=NNC(=O)c1cc(Cl)ccc1[O-])[C@@H](C)CCCCC(=O)[O-]	ZINC000814776538	978883935	/nfs/dbraw/zinc/88/39/35/978883935.db2.gz	AGTYCRGYNGJUHX-JTQLQIEISA-N	-2	1	340.807	3.432	20	50		EGGDML
O=C([O-])c1ccccc1C=NNC(=O)c1cc2ccccc2cc1[O-]	ZINC000252626760	961283691	/nfs/dbraw/zinc/28/36/91/961283691.db2.gz	RFBWMDDDYWHPDU-UHFFFAOYSA-N	-2	1	334.331	3.008	20	50		EGGDML
CC(CC(C)(C)CC(=O)[O-])=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC001592444307	978102848	/nfs/dbraw/zinc/10/28/48/978102848.db2.gz	NIQQXIHPGMBJMU-UHFFFAOYSA-N	-2	1	326.780	3.042	20	50		EGGDML
C[C@H]1C(=NNC(=O)c2cc3ccccc3cc2[O-])CC[C@H]1CC(=O)[O-]	ZINC000814694346	978873309	/nfs/dbraw/zinc/87/33/09/978873309.db2.gz	GRDKLHHHRHTWCO-NEPJUHHUSA-N	-2	1	340.379	3.152	20	50		EGGDML