smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000015679426 568966312 /nfs/dbraw/zinc/96/63/12/568966312.db2.gz CDYIPEARJBSYPS-UHFFFAOYSA-N 0 3 413.518 2.072 10 10 HECEHN