smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[C@H]([NH3+])CNCC ZINC000043860931 175115729 /nfs/dbraw/zinc/11/57/29/175115729.db2.gz CDNCXRTXBJXGIV-SFHVURJKSA-N 1 3 284.532 5.014 1 30 CKEFHO CCCCCCCCCCCCCC[C@@H]([NH3+])CNCC ZINC000043860933 175115810 /nfs/dbraw/zinc/11/58/10/175115810.db2.gz CDNCXRTXBJXGIV-GOSISDBHSA-N 1 3 284.532 5.014 1 30 CKEFHO