smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCC([NH+]3CCC(CCC(=O)NCCN(C)C)CC3)CC2)cc1 ZINC000012435867 536669201 /nfs/dbraw/zinc/66/92/01/536669201.db2.gz OBZIDXAZEYBZGE-UHFFFAOYSA-N 1 3 416.610 2.834 50 10 HFCAHO