smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=C/c3cc(Br)ccc3[O-])cc2)n1 ZINC000000934389 562919581 /nfs/dbraw/zinc/91/95/81/562919581.db2.gz LTOCDNSKAMOTPF-SRZZPIQSSA-N -2 3 461.341 4.113 10 30 JIEEHL COc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(I)cc(C)c2[O-])c1 ZINC000048555434 569846609 /nfs/dbraw/zinc/84/66/09/569846609.db2.gz HIORHKPIRACOGG-DJKKODMXSA-N -2 3 466.304 4.117 10 30 JIEEHL