smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1oc(C(=O)[O-])cc1C[N@@H+]1CC=C(C#N)CC1 ZINC000833677937 605546068 /nfs/dbraw/zinc/54/60/68/605546068.db2.gz FZUXTLMQODJBFU-UHFFFAOYSA-N 0 2 260.293 2.196 20 50 CEGDLN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC=C(C#N)CC1 ZINC000833677937 605546065 /nfs/dbraw/zinc/54/60/65/605546065.db2.gz FZUXTLMQODJBFU-UHFFFAOYSA-N 0 2 260.293 2.196 20 50 CEGDLN