smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC3(CCN(c4ncccc4CN4CCCC4)CC3)CC2)cc1 ZINC001164759981 721046547 /nfs/dbraw/zinc/04/65/47/721046547.db2.gz SJCMPNJBNDTIIT-UHFFFAOYSA-N 1 3 418.629 4.868 20 0 HJADHO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(CN(C)C5CC5)cn4)CC3)CC2)cc1 ZINC001164758795 721046982 /nfs/dbraw/zinc/04/69/82/721046982.db2.gz BOELMVAKQVPVGK-UHFFFAOYSA-N 1 3 418.629 4.867 20 0 HJADHO