smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccc(Cl)cc2[nH]c(O)c1-c1cccc(Oc2ccccc2NCCS(=O)(=O)F)c1 ZINC000036294541 563125477 /nfs/dbraw/zinc/12/54/77/563125477.db2.gz RFXVWSJEAZEHDH-UHFFFAOYSA-N 0 2 488.924 5.470 1 70 JKIFLN O=C1Nc2cc(Cl)ccc2C(=O)C1c1cccc(Oc2ccccc2NCCS(=O)(=O)F)c1 ZINC000036294541 563125478 /nfs/dbraw/zinc/12/54/78/563125478.db2.gz RFXVWSJEAZEHDH-UHFFFAOYSA-N 0 2 488.924 5.470 1 70 JKIFLN O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2NCCS(=O)(=O)F)c1 ZINC000036294541 563125480 /nfs/dbraw/zinc/12/54/80/563125480.db2.gz RFXVWSJEAZEHDH-UHFFFAOYSA-N 0 2 488.924 5.470 1 70 JKIFLN