smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2c1C(=O)[O-]	ZINC000005516147	560604171	/nfs/dbraw/zinc/60/41/71/560604171.db2.gz	ZRWCSQPNTIHKGC-UHFFFAOYSA-N	-2	1	413.495	5.288	40	0		HKABML
O=C([O-])c1ccccc1C1c2cc(Cl)c([O-])cc2Oc2cc(O)c(Cl)cc21	ZINC000034328166	559290459	/nfs/dbraw/zinc/29/04/59/559290459.db2.gz	XDFNWJDGWJVGGN-UHFFFAOYSA-N	-2	1	403.217	5.389	40	0		HKABML
Cc1sc2nc(-c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)[n-]c(=O)c2c1C	ZINC000408816818	560644559	/nfs/dbraw/zinc/64/45/59/560644559.db2.gz	KGDOKDPIEUVBLW-UHFFFAOYSA-N	-2	1	400.843	5.292	40	0		HKABML
O=C([O-])c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCCC5)o2)cc1	ZINC000408986412	558837820	/nfs/dbraw/zinc/83/78/20/558837820.db2.gz	CFDKKDNGTCYQJE-UHFFFAOYSA-N	-2	1	420.490	5.681	40	0		HKABML
O=C([O-])c1ccccc1-c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)o1	ZINC000408990095	560662070	/nfs/dbraw/zinc/66/20/70/560662070.db2.gz	MKNYDEJSZBVZLK-UHFFFAOYSA-N	-2	1	420.490	5.681	40	0		HKABML
O=C([O-])c1ccccc1-c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)o1	ZINC000408991965	558851827	/nfs/dbraw/zinc/85/18/27/558851827.db2.gz	RUSAFJLJWBKEOI-UHFFFAOYSA-N	-2	1	406.463	5.291	40	0		HKABML