smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-c2c(C)nc3ccccc3c2N)nc2c3ccccc3nc(C)c12 ZINC000000990239 219349625 /nfs/dbraw/zinc/34/96/25/219349625.db2.gz HNAUTBFNKNNXKT-UHFFFAOYSA-N 0 3 364.452 5.506 40 5 FKBBHN CCN(CC)Cc1cc2[nH]c3c(cnc4cc(Cl)ccc34)c2cc1OC ZINC000001571821 570501669 /nfs/dbraw/zinc/50/16/69/570501669.db2.gz LLEAEDYSPVHUEP-UHFFFAOYSA-N 0 3 367.880 5.373 40 5 FKBBHN CCCCNCC(=O)Nc1cc2c3ccccc3ccc2c2ccccc12 ZINC000001726384 210368198 /nfs/dbraw/zinc/36/81/98/210368198.db2.gz DDBIEUAVUVJSCV-UHFFFAOYSA-N 0 3 356.469 5.474 40 5 FKBBHN CCN(CC)CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12 ZINC000004522711 204143915 /nfs/dbraw/zinc/14/39/15/204143915.db2.gz FNMJKKXIWWEEBQ-UHFFFAOYSA-N 0 3 374.937 5.130 40 5 FKBBHN