smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1-c1nc(N[C@H]2CCCC[C@@H]2C)nc(C)c1[N+](=O)[O-]	ZINC000028821449	202177929	/nfs/dbraw/zinc/17/79/29/202177929.db2.gz	BBQFMPQXAXGNML-GWCFXTLKSA-N	1	1	330.392	3.178	1	5		EGBFMO
C[C@@H](CO)[N@@H+](C)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000036423998	202326457	/nfs/dbraw/zinc/32/64/57/202326457.db2.gz	OXNBUPMQAPCVRI-NSHDSACASA-N	1	1	331.799	3.412	1	5		EGBFMO
CC[C@@H]1CC=CC[C@@H]1Nc1nc(C)c([N+](=O)[O-])c(-n2cc[nH+]c2C)n1	ZINC000028821467	202177695	/nfs/dbraw/zinc/17/76/95/202177695.db2.gz	KOHITIIGEKNIQU-KGLIPLIRSA-N	1	1	342.403	3.344	1	5		EGBFMO
CC(C)n1c2ccccc2c2cc(NC(=O)C[NH+](C)C)ccc2c1=O	ZINC000003961194	210095524	/nfs/dbraw/zinc/09/55/24/210095524.db2.gz	CAXHILOLIJMQKD-UHFFFAOYSA-N	1	1	337.423	3.236	1	5		EGBFMO
Cc1[nH+]ccn1-c1nc(N[C@@H]2CCCC[C@H]2C)nc(C)c1[N+](=O)[O-]	ZINC000028821450	202177620	/nfs/dbraw/zinc/17/76/20/202177620.db2.gz	BBQFMPQXAXGNML-ZWNOBZJWSA-N	1	1	330.392	3.178	1	5		EGBFMO
Oc1ccc2c(c1)c1cc3c(cc1c1c2[C@H](O)[C@@H]2CCC[N@H+]2C1)OCO3	ZINC000066259296	215028685	/nfs/dbraw/zinc/02/86/85/215028685.db2.gz	IHIAREDQYFZXQI-LAUBAEHRSA-N	1	1	349.386	3.439	1	5		EGBFMO
C[N+](C)(C)CCc1cc(Br)c(O)c(Br)c1	ZINC000013450419	717107549	/nfs/dbraw/zinc/10/75/49/717107549.db2.gz	NWQHUPOOJFNVQB-UHFFFAOYSA-O	1	1	338.063	3.166	1	5		EGBFMO