smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCN1CCCCC1)c1ccc2c3c([nH]n2CC[NH+]2CCCCC2)c2ccccc2nc31 ZINC000026983550 563038632 /nfs/dbraw/zinc/03/86/32/563038632.db2.gz KVHCRILFYPKXOQ-UHFFFAOYSA-N 1 3 472.637 4.372 1 5 JIBFHO O=[N+]([O-])c1ccc(C[NH2+]CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000027643047 563048210 /nfs/dbraw/zinc/04/82/10/563048210.db2.gz UWRGNXFDDJKACU-UHFFFAOYSA-N 1 3 497.043 4.396 1 5 JIBFHO