smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNCC(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000033697216 521959192 /nfs/dbraw/zinc/95/91/92/521959192.db2.gz JCWLDUJEFLRICN-HZPDHXFCSA-N 1 3 462.511 -0.718 50 30 JBEAHO CNCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000033697219 521958252 /nfs/dbraw/zinc/95/82/52/521958252.db2.gz JCWLDUJEFLRICN-CVEARBPZSA-N 1 3 462.511 -0.718 50 30 JBEAHO