smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc([O+]=NN(O)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000102785612 219231034 /nfs/dbraw/zinc/23/10/34/219231034.db2.gz JCBQUWJFNAYRGL-GHRIWEEISA-N 2 0 326.269 0.970 1 10 ECCFRP C[NH2+]CCn1cc(CC[NH+](C)C)c2c1C(=O)c1cnccc1C2=O ZINC000071341652 203093447 /nfs/dbraw/zinc/09/34/47/203093447.db2.gz OJVFKYPJGLKZFZ-UHFFFAOYSA-N 2 0 326.400 0.982 1 10 ECCFRP