smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)cc(Cl)c1[O-] ZINC000000666044 206314656 /nfs/dbraw/zinc/31/46/56/206314656.db2.gz OPPXBNSYRDWMRO-UHFFFAOYSA-N -2 3 379.799 5.121 50 5 GKBAHL COc1cc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)c(Cl)cc1[O-] ZINC000001183406 570256237 /nfs/dbraw/zinc/25/62/37/570256237.db2.gz MRWZXZQDCLKUBZ-UHFFFAOYSA-N -2 3 379.799 5.121 50 5 GKBAHL