smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)c1cccc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1 ZINC000160719512 570372367 /nfs/dbraw/zinc/37/23/67/570372367.db2.gz KJDHTCGXTYZVJF-UHFFFAOYSA-N -1 3 398.260 4.684 50 70 GJIAHM CCC(=O)c1cccc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)c1 ZINC000160719512 570372370 /nfs/dbraw/zinc/37/23/70/570372370.db2.gz KJDHTCGXTYZVJF-UHFFFAOYSA-N -1 3 398.260 4.684 50 70 GJIAHM COc1ccc(F)c(C(=O)[N-]c2nc(-c3cc(C)ccc3OC)cs2)c1F ZINC000160904602 206304826 /nfs/dbraw/zinc/30/48/26/206304826.db2.gz AMCLHRWYAYBOIZ-UHFFFAOYSA-N -1 3 390.411 4.666 50 70 GJIAHM