smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1=CC2(CCCCC2)S/C1=[NH+]\c1ccccc1 ZINC000005680904 349061903 /nfs/dbraw/zinc/06/19/03/349061903.db2.gz RJVLPWMQBUUXDY-PEZBUJJGSA-N 1 2 243.375 4.723 40 0 BJABLO Cc1cc(-c2cccc3ccccc32)c(C)c[nH+]1 ZINC000037868843 343358631 /nfs/dbraw/zinc/35/86/31/343358631.db2.gz BQQYQUDJLHQNQQ-UHFFFAOYSA-N 1 2 233.314 4.519 40 0 BJABLO Cc1cc(C)c2cc(-c3ccccc3)ccc2[nH+]1 ZINC000085398980 385163836 /nfs/dbraw/zinc/16/38/36/385163836.db2.gz FULJGPSLLCZAGH-UHFFFAOYSA-N 1 2 233.314 4.519 40 0 BJABLO