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)CCC[NH2+]CCCNCCC[NH2+]CCCNC(=O)/C=N/[O-] ZINC000095115848 218281685 /nfs/dbraw/zinc/28/16/85/218281685.db2.gz UVDCRWFVQABVND-RCCKNPSSSA-N 1 3 344.504 -0.547 50 30 EBEAHO