smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C(C)C)c(C)c1NC(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000218155293 206367143 /nfs/dbraw/zinc/36/71/43/206367143.db2.gz KNGNFFRXMMNWAL-UHFFFAOYSA-N 0 2 351.410 3.616 50 70 FHIALN O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000218127206 206366743 /nfs/dbraw/zinc/36/67/43/206366743.db2.gz FTLTVZHHUVEAHY-GOSISDBHSA-N 0 2 368.820 3.808 50 70 FHIALN O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000218127115 571352499 /nfs/dbraw/zinc/35/24/99/571352499.db2.gz FTLTVZHHUVEAHY-SFHVURJKSA-N 0 2 368.820 3.808 50 70 FHIALN