smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)C=Cc2c3occ(-c4ccc(O)c([O-])c4)c(=O)c3c3c(c2O1)CCC(C)(C)O3	ZINC000002554903	560187728	/nfs/dbraw/zinc/18/77/28/560187728.db2.gz	FYVQSXRFGAIFQK-UHFFFAOYSA-N	-1	3	420.461	5.159	10	10	in-vitro	HKCEHM
[O-]c1ccc(-c2nc3ccccc3s2)cc1CN1CCN(c2ccc(F)cc2)CC1	ZINC000015001789	568729415	/nfs/dbraw/zinc/72/94/15/568729415.db2.gz	JUEYBBGFYRJQSJ-UHFFFAOYSA-N	-1	3	419.525	5.130	10	10		HKCEHM
Cc1ccnc(N[C@@H](c2ccccc2Br)c2ccc3cccnc3c2[O-])c1	ZINC000015015613	558701676	/nfs/dbraw/zinc/70/16/76/558701676.db2.gz	AOCUEUORHJVVLF-NRFANRHFSA-N	-1	3	420.310	5.608	10	10		HKCEHM
Cc1ccnc(N[C@H](c2ccccc2Br)c2ccc3cccnc3c2[O-])c1	ZINC000015015614	558701556	/nfs/dbraw/zinc/70/15/56/558701556.db2.gz	AOCUEUORHJVVLF-OAQYLSRUSA-N	-1	3	420.310	5.608	10	10		HKCEHM
Cc1ccc(N[C@@H](c2ccc(Br)cc2)c2ccc3cccnc3c2[O-])cc1	ZINC000020367859	558358727	/nfs/dbraw/zinc/35/87/27/558358727.db2.gz	UINJFYOUAMRJFI-NRFANRHFSA-N	-1	3	419.322	6.213	10	10		HKCEHM
Cc1ccc(N[C@H](c2ccc(Br)cc2)c2ccc3cccnc3c2[O-])cc1	ZINC000020367861	558358803	/nfs/dbraw/zinc/35/88/03/558358803.db2.gz	UINJFYOUAMRJFI-OAQYLSRUSA-N	-1	3	419.322	6.213	10	10		HKCEHM