smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)nc(N)n1 ZINC000095357424 132207527 /nfs/dbraw/zinc/20/75/27/132207527.db2.gz BEWYHSCKUVHMNO-UHFFFAOYSA-N 1 3 353.470 2.451 50 10 FECAHO