smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000003995599 552425500 /nfs/dbraw/zinc/42/55/00/552425500.db2.gz OMHBPUNFVFNHJK-UHFFFAOYSA-P 2 0 537.576 4.639 50 5 world KJBARP C[N+](C)(C)CCOC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OCC[N+](C)(C)C)cc3)nc(Oc3ccc(C(=O)OCC[N+](C)(C)C)cc3)n2)cc1 ZINC000253476138 562881830 /nfs/dbraw/zinc/88/18/30/562881830.db2.gz BLMNXXGEDNNOQP-UHFFFAOYSA-N 3 0 747.870 4.838 50 5 in-vitro KJBARP