smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])CC1 ZINC000005157230 487486283 /nfs/dbraw/zinc/48/62/83/487486283.db2.gz QHOSYYVLFVMDCD-UHFFFAOYSA-N 2 1 352.443 0.473 50 5 FCBAMP CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1 ZINC000005155586 487486680 /nfs/dbraw/zinc/48/66/80/487486680.db2.gz RQQMHVLTYUYZGL-UHFFFAOYSA-N 2 1 366.470 0.863 50 5 FCBAMP