smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1[n-]c(Br)c2c(=NCC[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ncnc1-2 ZINC000729491465 1069458694 /nfs/dbraw/zinc/45/86/94/1069458694.db2.gz GGSFJGDATHRIIA-UHFFFAOYSA-N -2 1 474.272 0.937 20 5 JCBDML Cn1[n-]c(Br)c2c(=NCC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)ncnc1-2 ZINC000729492140 1069456532 /nfs/dbraw/zinc/45/65/32/1069456532.db2.gz ZWXQKARSZNWDQS-UHFFFAOYSA-N -2 1 462.311 0.859 20 5 JCBDML