smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCC[NH2+]CC[N+](=O)[O-] 1120480724 757808062 /nfs/dbraw/zinc/80/80/62/757808062.db2.gz BLSAGIVQPWLFJY-UHFFFAOYSA-N 2 0 189.259 0.195 20 5 ACBDRP C[N@H+]1CC=C(C[NH2+]CC[N+](=O)[O-])CC1 1120583233 757815227 /nfs/dbraw/zinc/81/52/27/757815227.db2.gz OXSHRVZWHLEWGM-UHFFFAOYSA-N 2 0 199.254 0.115 20 5 ACBDRP