smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C1NC[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=[NH2+])N1 ZINC000013757826 181207207 /nfs/dbraw/zinc/20/72/07/181207207.db2.gz OGHQRQWHTPXPFU-MRVPVSSYSA-N 1 1 247.258 0.858 1 5 BCBFMO N=C1NC(=[NH2+])NC[C@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000013757826 181207209 /nfs/dbraw/zinc/20/72/09/181207209.db2.gz OGHQRQWHTPXPFU-MRVPVSSYSA-N 1 1 247.258 0.858 1 5 BCBFMO N=C1NC[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=[NH2+])N1 ZINC000013757828 181207924 /nfs/dbraw/zinc/20/79/24/181207924.db2.gz OGHQRQWHTPXPFU-QMMMGPOBSA-N 1 1 247.258 0.858 1 5 BCBFMO N=C1NC(=[NH2+])NC[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000013757828 181207926 /nfs/dbraw/zinc/20/79/26/181207926.db2.gz OGHQRQWHTPXPFU-QMMMGPOBSA-N 1 1 247.258 0.858 1 5 BCBFMO C[N+]1(C)CCO[C@@](O)(C(F)(F)F)C1 ZINC000013605065 717108577 /nfs/dbraw/zinc/10/85/77/717108577.db2.gz QOMMDBZPNCRWQI-ZCFIWIBFSA-N 1 1 200.180 0.344 1 5 BCBFMO