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)Cc1ccc(C#CCC[NH+]2CCCCC2)cc1 ZINC000038410167 174141257 /nfs/dbraw/zinc/14/12/57/174141257.db2.gz BRNCNUHXAAXCET-UHFFFAOYSA-N 1 3 270.420 2.976 1 30 CFEFHO CCCCCCCCCCCCNCCNC(N)=[NH2+] ZINC000043815798 175112639 /nfs/dbraw/zinc/11/26/39/175112639.db2.gz BURBALQMTWSEAL-UHFFFAOYSA-N 1 3 270.465 2.770 1 30 CFEFHO