smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(Cl)cc([O-])c1O 39220141 169356247 /nfs/dbraw/zinc/35/62/47/169356247.db2.gz VRYWIHPBUFYZGM-UHFFFAOYSA-N -2 3 188.566 1.449 40 10 ADCBHL CCC(=O)C(=O)c1ccc([O-])cc1[O-] 1563289 342947433 /nfs/dbraw/zinc/94/74/33/342947433.db2.gz OSPHQQZWRLGQGS-UHFFFAOYSA-N -2 3 194.186 1.260 40 10 ADCBHL CC(=O)C(=O)c1ccc([O-])c(C)c1[O-] 1561426 342947453 /nfs/dbraw/zinc/94/74/53/342947453.db2.gz ILOJTZYEVCJYDY-UHFFFAOYSA-N -2 3 194.186 1.178 40 10 ADCBHL