smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(C)Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000002411249	567113136	/nfs/dbraw/zinc/11/31/36/567113136.db2.gz	JMRPCSKBIXTCFK-UHFFFAOYSA-N	0	3	295.382	4.178	50	5		CIBAHN
CCCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000055292339	570394198	/nfs/dbraw/zinc/39/41/98/570394198.db2.gz	SDNWPIDSJRCSDG-UHFFFAOYSA-N	0	3	298.386	4.397	50	5		CIBAHN
CCCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000004986768	520420076	/nfs/dbraw/zinc/42/00/76/520420076.db2.gz	LJBNVNDZSDKPFT-UHFFFAOYSA-N	0	3	288.347	4.087	50	5		CIBAHN
CCN(CC)Cc1c(C)[nH]c2c3ccccc3ccc2c1=O	ZINC000008700867	170346559	/nfs/dbraw/zinc/34/65/59/170346559.db2.gz	STKKPPHRPPTOPT-UHFFFAOYSA-N	0	3	294.398	4.244	50	5		CIBAHN
Cc1cccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000015836838	570343889	/nfs/dbraw/zinc/34/38/89/570343889.db2.gz	ZISWQOVLGSCSEW-SFHVURJKSA-N	0	3	296.370	4.240	50	5		CIBAHN
CN(C)CCC(=O)c1cc2ccccc2c2ccccc12	ZINC000096026510	567136706	/nfs/dbraw/zinc/13/67/06/567136706.db2.gz	NPQVBQMNQDUWOV-UHFFFAOYSA-N	0	3	277.367	4.127	50	5		CIBAHN
CCCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000023280566	567908674	/nfs/dbraw/zinc/90/86/74/567908674.db2.gz	DAHDLUUMQWRSON-UHFFFAOYSA-N	0	3	288.347	4.087	50	5		CIBAHN
Cc1cccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000015836841	570343970	/nfs/dbraw/zinc/34/39/70/570343970.db2.gz	ZISWQOVLGSCSEW-GOSISDBHSA-N	0	3	296.370	4.240	50	5		CIBAHN
CCCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000004986125	520420677	/nfs/dbraw/zinc/42/06/77/520420677.db2.gz	RWSTVYYIDFGAQC-UHFFFAOYSA-N	0	3	288.347	4.087	50	5		CIBAHN