smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C[NH2+]CCCNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)c1[O-] ZINC000040631575 211899081 /nfs/dbraw/zinc/89/90/81/211899081.db2.gz JXSIFEPYGAFYBM-UHFFFAOYSA-N 1 3 361.486 2.084 10 10 FECEHO