smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC1(S(=O)(=O)Nc2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)CC1 ZINC001190773294 1069376746 /nfs/dbraw/zinc/37/67/46/1069376746.db2.gz VKHCQFXAJUUAOA-QJPTWQEYSA-N -2 2 475.420 0.434 20 30 JCEDLL