smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@H]2C1 ZINC000022064224 717113126 /nfs/dbraw/zinc/11/31/26/717113126.db2.gz GAFCUVMEBFTFQJ-QRIPLOBPSA-N 1 2 281.359 2.492 1 5 world CEBFLO NC(=[NH2+])c1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3O)nc2c1 ZINC000013863686 170605663 /nfs/dbraw/zinc/60/56/63/170605663.db2.gz XDLJIVLILSOHRM-UHFFFAOYSA-N 1 2 297.274 2.128 1 5 CEBFLO Nc1[nH]c2cc3c(cc2[nH+]1)[nH]c1ccccc1c3=O ZINC000005939810 170159339 /nfs/dbraw/zinc/15/93/39/170159339.db2.gz VMHSQXUSMZTPTD-UHFFFAOYSA-N 1 2 250.261 2.140 1 5 CEBFLO