smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccco1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000218245651 570308653 /nfs/dbraw/zinc/30/86/53/570308653.db2.gz OTYZMQKNNVCGSC-UHFFFAOYSA-N 2 2 290.432 3.569 50 70 CHIALP C[N@@H+](Cc1ccco1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000218245651 570308656 /nfs/dbraw/zinc/30/86/56/570308656.db2.gz OTYZMQKNNVCGSC-UHFFFAOYSA-N 2 2 290.432 3.569 50 70 CHIALP