smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000034684268 132388445 /nfs/dbraw/zinc/38/84/45/132388445.db2.gz YVLSFIAVBMZPTM-OAHLLOKOSA-N 2 2 334.464 0.884 10 10 ECCELP COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000034684267 536700743 /nfs/dbraw/zinc/70/07/43/536700743.db2.gz YVLSFIAVBMZPTM-HNNXBMFYSA-N 2 2 334.464 0.884 10 10 ECCELP CC(C)(/N=N/C(C)(C)C1=[NH+]CCN1CCO)C1=[NH+]CCN1CCO ZINC000034263352 436252251 /nfs/dbraw/zinc/25/22/51/436252251.db2.gz AEZBIUBWOJAYOA-FMQUCBEESA-N 2 2 338.456 0.409 10 10 ECCELP