smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1=CC=C[CH]1 ZINC001229394615 976853957 /nfs/dbraw/zinc/85/39/57/976853957.db2.gz AESBIKSLQOUOSZ-VIFPVBQESA-N -2 1 246.242 2.768 20 5 BFBDML C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])C1=CC=C[CH]1 ZINC001229394610 976855727 /nfs/dbraw/zinc/85/57/27/976855727.db2.gz AESBIKSLQOUOSZ-SECBINFHSA-N -2 1 246.242 2.768 20 5 BFBDML