smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Oc1c2sccc2c(=O)c2c([O-])c3cc(Cl)ccc3oc1-2	ZINC000005831580	204226998	/nfs/dbraw/zinc/22/69/98/204226998.db2.gz	BZLVRSJMEKBCTK-UHFFFAOYSA-N	-1	1	360.774	4.445	1	5		FIBFMM
CC(=O)Oc1c2sccc2c([O-])c2c(=O)c3cc(Cl)ccc3oc12	ZINC000005831580	204227002	/nfs/dbraw/zinc/22/70/02/204227002.db2.gz	BZLVRSJMEKBCTK-UHFFFAOYSA-N	-1	1	360.774	4.445	1	5		FIBFMM
O=[N+]([O-])c1c(Cl)c(Cl)[nH]c1[C@H](O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000014684496	560224373	/nfs/dbraw/zinc/22/43/73/560224373.db2.gz	WKEODUMIDZIAED-SNVBAGLBSA-N	-1	1	371.991	4.324	1	5	in-vitro	FIBFMM
COc1cccc2oc3cc4c(c(=O)c-3c([O-])c12)[C@@H]1CCC[C@](C)(O4)O1	ZINC000040972696	209213150	/nfs/dbraw/zinc/21/31/50/209213150.db2.gz	ZUEKQPJBVORAFH-YUNKPMOVSA-N	-1	1	354.358	4.011	1	5	in-vitro	FIBFMM
COc1cccc2oc3cc4c(c([O-])c3c(=O)c12)[C@@H]1CCC[C@](C)(O4)O1	ZINC000040972696	209213156	/nfs/dbraw/zinc/21/31/56/209213156.db2.gz	ZUEKQPJBVORAFH-YUNKPMOVSA-N	-1	1	354.358	4.011	1	5	in-vitro	FIBFMM
O=[N+]([O-])c1c(Cl)c(Cl)[nH]c1[C@@H](O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000014684495	220129771	/nfs/dbraw/zinc/12/97/71/220129771.db2.gz	WKEODUMIDZIAED-JTQLQIEISA-N	-1	1	371.991	4.324	1	5	in-vitro	FIBFMM
O=c1c(-c2ccc([N+](=O)[O-])cc2)c([O-])[nH]c2cc(Cl)cc(Cl)c12	ZINC000013727264	220091113	/nfs/dbraw/zinc/09/11/13/220091113.db2.gz	RVJGGXHSQRVBHL-UHFFFAOYSA-N	-1	1	351.145	4.116	1	5		FIBFMM
O=c1c2cc([N+](=O)[O-])c(Cl)cc2[nH]c([O-])c1-c1ccc(F)cc1F	ZINC000036185250	220805804	/nfs/dbraw/zinc/80/58/04/220805804.db2.gz	WGYLUERNBCIDCK-UHFFFAOYSA-N	-1	1	352.680	4.153	1	5		FIBFMM