smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC1(CC[NH3+])CC[NH2+]CC1 3592732 169179047 /nfs/dbraw/zinc/17/90/47/169179047.db2.gz BXWWSOBWMBQCDV-UHFFFAOYSA-N 2 1 143.234 -0.584 1 0 ABAFMP C[NH2+]C1CN(c2cc[nH+]c(N)n2)C1 224871525 1169363705 /nfs/dbraw/zinc/36/37/05/1169363705.db2.gz OXNHYEXHBQXCAR-UHFFFAOYSA-N 2 1 179.227 -0.533 1 0 ABAFMP