smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(CCCCC[NH+]1CC[N+]2(CCCC2)CC1)CCCCN1CC[N+]2(CCCC2)CC1	ZINC000029464581	717119487	/nfs/dbraw/zinc/11/94/87/717119487.db2.gz	CXHNJRAQDFNQHG-UHFFFAOYSA-N	3	2	420.730	3.960	1	5		HHBFLP
C(CCCCC[NH+]1CC[N+]2(CCCC2)CC1)CCCC[NH+]1CC[N+]2(CCCC2)CC1	ZINC000029464581	717119489	/nfs/dbraw/zinc/11/94/89/717119489.db2.gz	CXHNJRAQDFNQHG-UHFFFAOYSA-N	4	2	420.730	3.960	1	5		HHBFLP
CC[C@@H]([NH3+])COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)[nH+]2)c1	ZINC000049112069	581093799	/nfs/dbraw/zinc/09/37/99/581093799.db2.gz	PHJGKALEAVCXAU-CQSZACIVSA-N	2	2	419.485	3.561	1	5		HHBFLP