smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530248093 567588024 /nfs/dbraw/zinc/58/80/24/567588024.db2.gz FTXCRCTZRDADGV-KRWDZBQOSA-N 1 3 383.330 3.054 10 10 GGCEHO Cc1cc(Br)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530248094 567587650 /nfs/dbraw/zinc/58/76/50/567587650.db2.gz FTXCRCTZRDADGV-QGZVFWFLSA-N 1 3 383.330 3.054 10 10 GGCEHO