smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[C@H](CCCC)CO[P@@](=O)([O-])O ZINC000038611922 174150197 /nfs/dbraw/zinc/15/01/97/174150197.db2.gz CWNUFCATZZTYES-LBPRGKRZSA-N -1 2 266.318 3.873 10 0 CHAELM CCCCCC[C@H](CCCC)CO[P@](=O)([O-])O ZINC000038611922 174150199 /nfs/dbraw/zinc/15/01/99/174150199.db2.gz CWNUFCATZZTYES-LBPRGKRZSA-N -1 2 266.318 3.873 10 0 CHAELM [O-]Nc1ccc(-n2c3ccccc3c3ccncc32)cc1 ZINC000013282588 230371149 /nfs/dbraw/zinc/37/11/49/230371149.db2.gz LECLBYWFRKFHIQ-UHFFFAOYSA-N -1 2 275.311 3.980 10 0 in-vitro CHAELM CCCC1(CCC)CCC(CC(=O)O)(C(=O)[O-])CC1 ZINC000022012123 171349165 /nfs/dbraw/zinc/34/91/65/171349165.db2.gz RFTOLBKVUBYHIF-UHFFFAOYSA-N -1 2 270.369 3.693 10 0 CHAELM Cc1nc2ccc(P(=O)([O-])O)cc2s1 ZINC000000000319 1024376125 /nfs/dbraw/zinc/37/61/25/1024376125.db2.gz ARPYQKTVRGFPIS-VIFPVBQESA-N -1 2 285.274 3.822 10 0 in-man CHAELM CCCCCC[C@@H](CCCC)CO[P@@](=O)([O-])O ZINC000038611921 174150163 /nfs/dbraw/zinc/15/01/63/174150163.db2.gz CWNUFCATZZTYES-GFCCVEGCSA-N -1 2 266.318 3.873 10 0 CHAELM CCCCCC[C@@H](CCCC)CO[P@](=O)([O-])O ZINC000038611921 174150165 /nfs/dbraw/zinc/15/01/65/174150165.db2.gz CWNUFCATZZTYES-GFCCVEGCSA-N -1 2 266.318 3.873 10 0 CHAELM