smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc(=[N+]2CCCCC2)sc1SC(=N\O)/C(=N/O)Sc1sc(=[N+]2CCCCC2)sc1C	ZINC000101463521	554779477	/nfs/dbraw/zinc/77/94/77/554779477.db2.gz	RATKAODNQMJKOO-BMJUYKDLSA-P	2	2	548.872	4.921	40	30		KJEBLP
[NH2+]=C(N[C@@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)c1ccc(C(=[NH2+])N[C@@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)cc1	ZINC000150352949	571462539	/nfs/dbraw/zinc/46/25/39/571462539.db2.gz	YPGOMASSOREYCW-UWVGGRQHSA-N	2	2	648.986	4.701	40	30		KJEBLP
[NH2+]=C(N[C@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)c1ccc(C(=[NH2+])N[C@@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)cc1	ZINC000150352953	571462520	/nfs/dbraw/zinc/46/25/20/571462520.db2.gz	YPGOMASSOREYCW-AOOOYVTPSA-N	2	2	648.986	4.701	40	30		KJEBLP
[NH2+]=C(N[C@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)c1ccc(C(=[NH2+])N[C@H](OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)cc1	ZINC000150352957	571462571	/nfs/dbraw/zinc/46/25/71/571462571.db2.gz	YPGOMASSOREYCW-NXEZZACHSA-N	2	2	648.986	4.701	40	30		KJEBLP