smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(C)C)c(O)c1[N+](=O)[O-] 34439946 343119397 /nfs/dbraw/zinc/11/93/97/343119397.db2.gz CYUYOFIGNXMLPJ-UHFFFAOYSA-N 0 1 195.218 2.732 50 5 AFBAMN CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1 19943782 166383996 /nfs/dbraw/zinc/38/39/96/166383996.db2.gz IHGNADPMUSNTJW-UHFFFAOYSA-N 0 1 195.218 2.598 50 5 in-vitro AFBAMN CC[C@H](C)c1ccc(O)c([N+](=O)[O-])c1 25629739 167635314 /nfs/dbraw/zinc/63/53/14/167635314.db2.gz GCDCKEORRIGZKI-ZETCQYMHSA-N 0 1 195.218 2.814 50 5 AFBAMN CC[C@@H](C)c1ccc(O)c([N+](=O)[O-])c1 25629732 351418181 /nfs/dbraw/zinc/41/81/81/351418181.db2.gz GCDCKEORRIGZKI-SSDOTTSWSA-N 0 1 195.218 2.814 50 5 AFBAMN