smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1/C(=C\c2ccc([O-])c(Cl)c2)COC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000123546889 823519946 /nfs/dbraw/zinc/51/99/46/823519946.db2.gz JYYLEHWCBDYLAF-GFIWHYBVSA-N -2 1 377.223 4.471 20 30 GIEDML N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])ccc1Cl ZINC000584596559 452921268 /nfs/dbraw/zinc/92/12/68/452921268.db2.gz JUNJTBLOQOUPLV-UHFFFAOYSA-N -2 1 377.636 4.025 20 30 GIEDML N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1Cl ZINC000584596468 452921648 /nfs/dbraw/zinc/92/16/48/452921648.db2.gz FYTATJSIERXOLB-UHFFFAOYSA-N -2 1 377.636 4.025 20 30 GIEDML