smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1 ZINC000022010289 555861613 /nfs/dbraw/zinc/86/16/13/555861613.db2.gz UTEFBSAVJNEPTR-RGEXLXHISA-N 0 1 464.913 2.933 10 5 in-man JFBEMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2n[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 ZINC000034797389 569660948 /nfs/dbraw/zinc/66/09/48/569660948.db2.gz ULMCMPGYATWQRL-UHFFFAOYSA-N 0 1 492.511 2.547 10 5 JFBEMN