smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(N)c(/C=C\c2cc(O)c(O)c(O)c2)c[nH+]1 ZINC000040767519 174398291 /nfs/dbraw/zinc/39/82/91/174398291.db2.gz NZHFDSLFUBOCRU-UPHRSURJSA-N 1 1 260.253 0.928 1 10 CCCFMO CC1(C)c2cc(O)c(O)cc2CC[N@H+]1C(CO)CO ZINC000014722978 560224968 /nfs/dbraw/zinc/22/49/68/560224968.db2.gz LDGAGXLAAMIOGV-UHFFFAOYSA-N 1 1 267.325 0.544 1 10 biogenic,in-vitro CCCFMO