smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(S(=O)(=O)F)ccn1)CC2 ZINC001164713627 720049049 /nfs/dbraw/zinc/04/90/49/720049049.db2.gz OFBPEOYJZHRWTE-UHFFFAOYSA-N 1 2 422.486 0.424 20 70 HCIDLO