smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000009983948 562978221 /nfs/dbraw/zinc/97/82/21/562978221.db2.gz IFYOMWFPLQRQMN-UHFFFAOYSA-N 0 0 446.345 2.926 20 10 IFCDRN