smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc3cc4c(cc3c2c1)OCO4 ZINC000043079924 205082718 /nfs/dbraw/zinc/08/27/18/205082718.db2.gz AFSKFEIFCBGZOV-HNNXBMFYSA-N 2 1 378.472 3.901 1 5 GHBFMP