smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001710093 212254811 /nfs/dbraw/zinc/25/48/11/212254811.db2.gz GQTPVBWPIUXQDS-UHFFFAOYSA-N 1 3 398.423 2.238 40 5 GEBBHO