smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2[C@@H](C)O1 ZINC000003943080 132386159 /nfs/dbraw/zinc/38/61/59/132386159.db2.gz DJZPHYIXNUOVJU-KKFJDGPESA-N -1 1 374.353 0.486 1 5 FCBFMM COc1cc([C@@H](O)[P@](=O)([O-])CC[C@H]([NH3+])C(=O)[O-])cc([N+](=O)[O-])c1O ZINC000043203374 205100892 /nfs/dbraw/zinc/10/08/92/205100892.db2.gz PEXVMHLARUAHNC-MADCSZMMSA-N -1 1 364.247 0.372 1 5 in-vitro FCBFMM COc1cc([C@H](O)[P@](=O)([O-])CC[C@H]([NH3+])C(=O)[O-])cc([N+](=O)[O-])c1O ZINC000043203375 208303428 /nfs/dbraw/zinc/30/34/28/208303428.db2.gz PEXVMHLARUAHNC-JVXZTZIISA-N -1 1 364.247 0.372 1 5 in-vitro FCBFMM C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1 ZINC000003943078 132386057 /nfs/dbraw/zinc/38/60/57/132386057.db2.gz DJZPHYIXNUOVJU-VYUIOLGVSA-N -1 1 374.353 0.486 1 5 in-vitro FCBFMM