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(Cc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)OCCN1C(=O)c2ccccc2C1=O ZINC000026502402 563029272 /nfs/dbraw/zinc/02/92/72/563029272.db2.gz CSDFOQMGWNXYBJ-UHFFFAOYSA-N 2 1 491.588 2.966 1 10 JFCFMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])[C@@H](C)O)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O ZINC000045284774 563183700 /nfs/dbraw/zinc/18/37/00/563183700.db2.gz OXJCULJANWWDNP-CMJOXMDJSA-N 2 1 471.989 2.984 1 10 JFCFMP