smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC[N+](C)(C)CC[NH3+] 140509580 717151879 /nfs/dbraw/zinc/15/18/79/717151879.db2.gz DWBINSPLUFALEE-UHFFFAOYSA-N 3 2 160.285 -0.417 10 5 ABBELP OCC[N+]12CC[NH+](CC1)CC2 34540827 572093755 /nfs/dbraw/zinc/09/37/55/572093755.db2.gz JOGAFOUQQRSEMW-UHFFFAOYSA-N 2 2 157.237 -0.875 10 5 ABBELP