smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)c1cc(S(=O)(=O)NCCCN2CCN(C)CC2)ccc1OC ZINC000216949814 570310251 /nfs/dbraw/zinc/31/02/51/570310251.db2.gz CGRQVTOMJGLMHH-UHFFFAOYSA-N 0 1 398.529 0.361 40 70 GCIBMN