smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(C)c1ccc(C(c2ccc(N(C)C)cc2)=C2CCC(=[N+](C)C)CC2)cc1 ZINC000504649557 717183189 /nfs/dbraw/zinc/18/31/89/717183189.db2.gz SXHKNMRSPMOTCJ-UHFFFAOYSA-N 2 0 405.630 5.428 10 30 HKEERP