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)Oc1ccc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000217366521 571601262 /nfs/dbraw/zinc/60/12/62/571601262.db2.gz DYCDENDPVZVNHK-LEWJYISDSA-N 1 0 506.603 2.334 40 70 KEIBRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@]2(Cc3ccc(O)cc3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000217407298 571601360 /nfs/dbraw/zinc/60/13/60/571601360.db2.gz JPFCFKZUOCRZKN-BURCIIJTSA-N 1 0 526.593 2.481 40 70 KEIBRO