smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O ZINC000004102417 560196961 /nfs/dbraw/zinc/19/69/61/560196961.db2.gz QTARRKFUMCSVOF-LBPRGKRZSA-N 1 0 403.435 1.166 10 10 in-vitro HDCERO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCc3ccccn3)[C@H]2O)cc1 ZINC000012489919 291193315 /nfs/dbraw/zinc/19/33/15/291193315.db2.gz KXYWGJDIFRCIHV-FWKCKQQBSA-N 1 0 412.534 1.265 10 10 biogenic HDCERO