smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)C[C@@H](N)CCCNC(N)=[NH2+])[C@@H]1CNC(N2CCNC2=O)=NC1=O ZINC000066074460 222136551 /nfs/dbraw/zinc/13/65/51/222136551.db2.gz VAJQESZZTDDYBM-VHSXEESVSA-N 1 3 381.441 -2.695 1 0 GAAFHO