smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C/C=C\c1ccccc1 13523661 1450541738 /nfs/dbraw/zinc/54/17/38/1450541738.db2.gz KJPRLNWUNMBNBZ-DAXSKMNVSA-N 0 0 132.162 1.899 40 50 endogenous,in-man ADGBRN C[N+]([O-])(CCCl)CCCl 1706026 717089100 /nfs/dbraw/zinc/08/91/00/717089100.db2.gz AFLXUQUGROGEFA-UHFFFAOYSA-N 0 0 172.055 1.408 40 50 in-man ADGBRN C[N+]([O-])(CCCl)CCCl 1726524 717089465 /nfs/dbraw/zinc/08/94/65/717089465.db2.gz FUJGKDBHBXATKP-UHFFFAOYSA-N 0 0 173.063 1.300 40 50 ADGBRN