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-])c1cc(-c2ccc(Cl)cc2)nc2ccc3ccccc3c21	ZINC000001438690	201508868	/nfs/dbraw/zinc/50/88/68/201508868.db2.gz	QNLBKIQRKFCVTA-UHFFFAOYSA-N	-1	0	333.774	5.407	40	5		EKBBRM
O=C([O-])CSCc1cc2c3ccccc3sc2c2ccccc12	ZINC000001607741	201513852	/nfs/dbraw/zinc/51/38/52/201513852.db2.gz	PXVKRFVGYLXNAZ-UHFFFAOYSA-N	-1	0	338.453	5.526	40	5		EKBBRM
O=C([O-])c1ccccc1-c1c2ccccc2cc2c3ccccc3ccc21	ZINC000001702685	563404947	/nfs/dbraw/zinc/40/49/47/563404947.db2.gz	YVXHAGSYJGTKJN-UHFFFAOYSA-N	-1	0	348.401	6.511	40	5		EKBBRM
O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c3ccccc3ccc12	ZINC000001703599	201517889	/nfs/dbraw/zinc/51/78/89/201517889.db2.gz	VBIQMIMUFZXRMM-UHFFFAOYSA-N	-1	0	333.774	5.407	40	5		EKBBRM
O=C([O-])c1cc(-c2cccc3ccccc32)nc2cc3ccccc3cc21	ZINC000001745555	563409264	/nfs/dbraw/zinc/40/92/64/563409264.db2.gz	WHYVIAMCNZVACB-UHFFFAOYSA-N	-1	0	349.389	5.906	40	5		EKBBRM
O=C([O-])c1cc(-c2ccccc2Cl)nc2cc3ccccc3cc21	ZINC000001766675	209791111	/nfs/dbraw/zinc/79/11/11/209791111.db2.gz	KMUKKDXDYYALID-UHFFFAOYSA-N	-1	0	333.774	5.407	40	5		EKBBRM
Cc1cc(-c2cc3ccccc3c3ccccc32)c(C(=O)[O-])c(C)n1	ZINC000005538650	563537724	/nfs/dbraw/zinc/53/77/24/563537724.db2.gz	OLRRGQVSGOYRJG-UHFFFAOYSA-N	-1	0	327.383	5.370	40	5		EKBBRM
O=C([O-])[C@@H](Sc1nc2ccccc2c2ccccc12)c1ccccc1	ZINC000006269737	210609252	/nfs/dbraw/zinc/60/92/52/210609252.db2.gz	FAPZPNCTVLRMEM-IBGZPJMESA-N	-1	0	345.423	5.306	40	5		EKBBRM
O=C([O-])[C@H](Sc1nc2ccccc2c2ccccc12)c1ccccc1	ZINC000006269745	563563291	/nfs/dbraw/zinc/56/32/91/563563291.db2.gz	FAPZPNCTVLRMEM-LJQANCHMSA-N	-1	0	345.423	5.306	40	5		EKBBRM
Cc1cc(Nc2ccccc2C(=O)[O-])c2ccc3ccccc3c2n1	ZINC000019797505	212070060	/nfs/dbraw/zinc/07/00/60/212070060.db2.gz	RUAJEQNOAMCMSN-UHFFFAOYSA-N	-1	0	328.371	5.138	40	5		EKBBRM
O=C([O-])c1ccccc1Nc1ccc2ccc3cccc4ccc1c2c34	ZINC000026897637	212539579	/nfs/dbraw/zinc/53/95/79/212539579.db2.gz	ZUYMNEBYEMFENX-UHFFFAOYSA-N	-1	0	337.378	6.026	40	5		EKBBRM
O=c1oc2c3ccccc3ccc2c([O-])c1-c1cccc2ccccc21	ZINC000104185056	219357136	/nfs/dbraw/zinc/35/71/36/219357136.db2.gz	ANYAHYJEEFBPKG-UHFFFAOYSA-N	-1	0	338.362	5.472	40	5		EKBBRM