smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000354192080 415780161 /nfs/dbraw/zinc/78/01/61/415780161.db2.gz VRJUTORDSJRFOG-AWEZNQCLSA-N -1 2 301.346 0.987 10 30 DCEELM C=CCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000354192081 415781280 /nfs/dbraw/zinc/78/12/80/415781280.db2.gz VRJUTORDSJRFOG-CQSZACIVSA-N -1 2 301.346 0.987 10 30 DCEELM