smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CC)(CC)CCCCC[N@+](C)(CC)Cc1cc2ccccc2o1 ZINC000239297254 210208314 /nfs/dbraw/zinc/20/83/14/210208314.db2.gz DUTWIOAGRGMUTI-DEOSSOPVSA-N 2 0 360.586 5.446 50 5 FJBARP CC[N+](C)(C)CCCCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1 ZINC000239347151 571195815 /nfs/dbraw/zinc/19/58/15/571195815.db2.gz MFAMZDZNRDRJJE-RUZDIDTESA-N 2 0 360.586 5.446 50 5 FJBARP CC[N+](CC)(CC)CCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1 ZINC000239297255 203905631 /nfs/dbraw/zinc/90/56/31/203905631.db2.gz DUTWIOAGRGMUTI-XMMPIXPASA-N 2 0 360.586 5.446 50 5 FJBARP CC[N+](C)(C)CCCCCCC[N@+](C)(CC)Cc1cc2ccccc2o1 ZINC000239347152 571195823 /nfs/dbraw/zinc/19/58/23/571195823.db2.gz MFAMZDZNRDRJJE-VWLOTQADSA-N 2 0 360.586 5.446 50 5 FJBARP CCCCOc1ccc(C[N+](C)(CC)CC)cc1C[N+](C)(CC)CC ZINC000001791946 571193900 /nfs/dbraw/zinc/19/39/00/571193900.db2.gz LNWVECDTISOFJQ-UHFFFAOYSA-N 2 0 350.591 4.838 50 5 FJBARP