smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[N@H+](C)Cc2cccc(C[NH3+])c2)cc1 ZINC000071340489 176130393 /nfs/dbraw/zinc/13/03/93/176130393.db2.gz SROQHKPHKOJHCX-UHFFFAOYSA-N 2 0 283.419 2.843 1 10 CFCFRP CN(C)c1ccc(C[N@H+](C)Cc2ccc(C[NH3+])cc2)cc1 ZINC000071341944 176130400 /nfs/dbraw/zinc/13/04/00/176130400.db2.gz ZMZSNJCTHQNJDQ-UHFFFAOYSA-N 2 0 283.419 2.843 1 10 CFCFRP CN(C)c1ccc(C[N@H+](C)Cc2ccccc2C[NH3+])cc1 ZINC000071418563 176160482 /nfs/dbraw/zinc/16/04/82/176160482.db2.gz AFAPEAVLDOOZAL-UHFFFAOYSA-N 2 0 283.419 2.843 1 10 CFCFRP