smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=C([O-])C(=NN=c2nc[nH][n-]2)C([O-])=C1 ZINC000005670216 384123301 /nfs/dbraw/zinc/12/33/01/384123301.db2.gz PEONSLFSKYJGTD-ACCUITESSA-N -3 1 221.176 1.337 40 10 BDCBML O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O ZINC000002512313 342721697 /nfs/dbraw/zinc/72/16/97/342721697.db2.gz UQQYIAVMUUJWGX-UHFFFAOYSA-N -2 1 246.218 1.740 40 10 BDCBML