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(OCc1coc(=O)o1)c1sc2c(cc(O)c(O)c2[N+](=O)[O-])c1Cl	ZINC000049073043	581096420	/nfs/dbraw/zinc/09/64/20/581096420.db2.gz	PJOJRTXYGCBIQQ-UHFFFAOYSA-N	0	2	387.709	2.777	1	10		GFCFLN
O=c1cc(-c2ccccc2)oc2c(C[NH+]3CCC(O)CC3)c([O-])c(O)c(O)c12	ZINC000072123610	222209487	/nfs/dbraw/zinc/20/94/87/222209487.db2.gz	HERQHVGZVXIZFB-UHFFFAOYSA-N	0	2	383.400	2.534	1	10		GFCFLN
COc1cc(OC)c(C(=O)c2ccccc2F)c(O)c1CN1CCOCC1	ZINC000049073435	205125189	/nfs/dbraw/zinc/12/51/89/205125189.db2.gz	UZDZWAOQFINVAM-UHFFFAOYSA-N	0	2	375.396	2.612	1	10		GFCFLN
COc1cc(OC)c(C(=O)c2cccc(F)c2)c([O-])c1CN1CC[NH+](C)CC1	ZINC000049072645	205125711	/nfs/dbraw/zinc/12/57/11/205125711.db2.gz	OGGOGASSIIAXJW-UHFFFAOYSA-N	0	2	388.439	2.527	1	10		GFCFLN
CN1CCN(C)c2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21	ZINC000071332261	211046487	/nfs/dbraw/zinc/04/64/87/211046487.db2.gz	FUONPAINKKGZNR-UHFFFAOYSA-N	0	2	381.407	2.773	1	10		GFCFLN
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3ccc(N)[nH+]c3N)cc2)s1	ZINC000256005992	212138040	/nfs/dbraw/zinc/13/80/40/212138040.db2.gz	VCDGNEYCVAHPRG-UHFFFAOYSA-N	0	2	390.454	2.622	3	10		GFCFLN