smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000238749877 717162609 /nfs/dbraw/zinc/16/26/09/717162609.db2.gz CLZXVJIVXLPLPS-UITGYBSKSA-N 2 1 672.242 7.874 1 50 KKGFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000238745765 717162266 /nfs/dbraw/zinc/16/22/66/717162266.db2.gz CLZXVJIVXLPLPS-WHNUPTRFSA-N 2 1 672.242 7.874 1 50 KKGFMP