smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(C(F)(F)F)ccc1/N=C/c1c([O-])ccc2ccccc12	ZINC000004964395	207066897	/nfs/dbraw/zinc/06/68/97/207066897.db2.gz	BKMZCSAVWHJBJW-LSHDLFTRSA-N	-1	1	360.291	5.223	10	30		FKEEMM
O=C1c2ccccc2C(=O)C(CCC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)=C1[O-]	ZINC000100486337	222245131	/nfs/dbraw/zinc/24/51/31/222245131.db2.gz	IFXSMZUKQQEJIZ-BRWVUGGUSA-N	-1	1	352.474	5.498	10	30		FKEEMM
CCCCCCCCCCCCCCCC(=O)N([O-])[C@@H](C)/C(C)=N/O	ZINC000103558404	209254761	/nfs/dbraw/zinc/25/47/61/209254761.db2.gz	YLGARYBQOZKINR-PMIVHWTLSA-N	-1	1	356.551	5.924	10	30		FKEEMM
CCCCCCCCCCCCCCCC(=O)N([O-])[C@H](C)/C(C)=N/O	ZINC000103558411	222338262	/nfs/dbraw/zinc/33/82/62/222338262.db2.gz	YLGARYBQOZKINR-AZZGVMCLSA-N	-1	1	356.551	5.924	10	30		FKEEMM
CCCCCCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000112191168	570955670	/nfs/dbraw/zinc/95/56/70/570955670.db2.gz	GRIRTABRGWAZLM-UHFFFAOYSA-N	-1	1	372.745	5.286	10	30		FKEEMM
CCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])C(=O)O	ZINC000113611666	571311430	/nfs/dbraw/zinc/31/14/30/571311430.db2.gz	NTXPLMGONOZEHP-UHFFFAOYSA-N	-1	1	370.574	6.814	10	30		FKEEMM
O=[N+]([O-])c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1ccc(/C=N/[O-])o1	ZINC000226302737	206119274	/nfs/dbraw/zinc/11/92/74/206119274.db2.gz	OMUXRBQNAKZIST-WSDLNYQXSA-N	-1	1	366.417	5.131	10	30		FKEEMM