smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCO[P@](=O)([O-])C(=O)OC 3653692 571818769 /nfs/dbraw/zinc/81/87/69/571818769.db2.gz LDJCFVZYDHCLPE-UHFFFAOYSA-N -1 1 196.139 1.755 1 0 ADAFMM CCO[P@](=O)([O-])N(CC)CC 53683278 572521328 /nfs/dbraw/zinc/52/13/28/572521328.db2.gz DUNFIZRDIMDMIH-UHFFFAOYSA-N -1 1 181.172 1.465 1 0 in-vivo ADAFMM CC(=O)C(N=O)=C([O-])c1ccccc1 198905205 572821816 /nfs/dbraw/zinc/82/18/16/572821816.db2.gz DTFZMQVIXBGYMQ-VIFPVBQESA-N -1 1 191.186 1.593 1 0 ADAFMM CCOC(=O)[P@](=O)([O-])OCC 3584077 167367440 /nfs/dbraw/zinc/36/74/40/167367440.db2.gz GBHHYGCUMKFRMT-UHFFFAOYSA-N -1 1 182.112 1.365 1 0 ADAFMM O=S1(=O)C=Cc2ccc([O-])cc2O1 96914368 171142614 /nfs/dbraw/zinc/14/26/14/171142614.db2.gz CAFMYROGFUAKMR-UHFFFAOYSA-N -1 1 198.199 1.085 1 0 ADAFMM