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-])c1cc(Br)c([O-])c(/C=N/c2cc(Cl)ccc2[O-])c1 ZINC000003153252 204078959 /nfs/dbraw/zinc/07/89/59/204078959.db2.gz LAXWNKLEDYITSL-OMCISZLKSA-N -2 1 371.574 4.173 50 30 FIEAML C=CCc1cccc(C=Nn2c(-c3cccc(C)c3)n[nH]c2=S)c1O ZINC000001478872 571277555 /nfs/dbraw/zinc/27/75/55/571277555.db2.gz SPQGFYOTDIUATH-UDWIEESQSA-N -2 1 350.447 4.232 50 30 FIEAML