smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(/N=N/c1nonc1[N-]C[N-]c1nonc1/N=N/N(C)c1nonc1N)c1nonc1N ZINC000100927259 569776139 /nfs/dbraw/zinc/77/61/39/569776139.db2.gz SAXATHXOYCETMW-CTVDDJEBSA-N -2 1 462.355 0.135 40 10 JCCBML COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(=O)[O-] ZINC000408827951 570052553 /nfs/dbraw/zinc/05/25/53/570052553.db2.gz IBUJETQBVWCPQX-UHFFFAOYSA-N -2 1 462.221 0.678 40 10 JCCBML