smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc(O)[nH]c(=O)c3)C[C@H]12 ZINC001270176345 775525663 /nfs/dbraw/zinc/52/56/63/775525663.db2.gz QHMLBEISJSGKOH-NKWVEPMBSA-N 0 2 292.251 -1.195 20 10 CACDLN O=C(CN1C(=O)CSC1=S)NCc1n[nH]c(=O)[nH]1 ZINC001144848061 781465354 /nfs/dbraw/zinc/46/53/54/781465354.db2.gz AMPLXVLUFTXZQV-UHFFFAOYSA-N 0 2 287.326 -1.013 20 10 CACDLN