smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@H]1C=C[C@]23OO[C@@]14Oc1c5c(ccc1O)C[C@H]2[N@+](C)(CC1CC1)CC[C@@]534 ZINC000605692331 717185351 /nfs/dbraw/zinc/18/53/51/717185351.db2.gz XAXICIRFUHDBLD-YIMZLLHESA-O 1 0 384.452 2.189 10 50 GEGERO CO[C@H]1C=C[C@]23OO[C@@]14Oc1c5c(ccc1O)C[C@H]2[N@+](C)(CC1CC1)CC[C@@]534 ZINC000605692330 717185476 /nfs/dbraw/zinc/18/54/76/717185476.db2.gz XAXICIRFUHDBLD-YCDCWROISA-O 1 0 384.452 2.189 10 50 GEGERO