smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c2c(c3oc4c([O-])cccc4c(=O)c3c1O)C[C@@H](C(C)(C)O)O2	ZINC000014610222	291131085	/nfs/dbraw/zinc/13/10/85/291131085.db2.gz	STZQZHINUHDXTE-INIZCTEOSA-N	-1	1	396.439	3.941	1	5	biogenic,in-vitro	GHBFMM
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1[O-]	ZINC000169323619	136197100	/nfs/dbraw/zinc/19/71/00/136197100.db2.gz	GGCVQMUSUJZNIJ-UHFFFAOYSA-N	-1	1	393.399	3.543	1	5		GHBFMM
COC(=N)c1nc2ccc3ncnc(Nc4ccc([O-])c([N+](=O)[O-])c4)c3c2s1	ZINC000096270440	211328532	/nfs/dbraw/zinc/32/85/32/211328532.db2.gz	HFJRGZBUEXFBMO-UHFFFAOYSA-N	-1	1	396.388	3.569	1	5		GHBFMM