smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013520703 553468316 /nfs/dbraw/zinc/46/83/16/553468316.db2.gz XHTORJWGZKCDGL-GRGSLBFTSA-N 2 0 504.592 0.646 50 5 KCBARP CC(C)C[C@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013541297 553469754 /nfs/dbraw/zinc/46/97/54/553469754.db2.gz ZNKZJCICBFSACN-GBESFXJTSA-N 2 0 506.608 0.796 50 5 KCBARP