smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1=C[C@H]2C=c3cc([N+](=O)[O-])ccc3=C2C=C1 ZINC000306121079 181338372 /nfs/dbraw/zinc/33/83/72/181338372.db2.gz BNFDUOAGPIZISS-MRVPVSSYSA-N 1 2 226.235 0.568 2 5 BCBFLO [NH3+]C1=C[C@@H]2C=c3cc([N+](=O)[O-])ccc3=C2C=C1 ZINC000306121080 181338468 /nfs/dbraw/zinc/33/84/68/181338468.db2.gz BNFDUOAGPIZISS-QMMMGPOBSA-N 1 2 226.235 0.568 2 5 BCBFLO CC(C)([C@H](O)Cn1ccnc1[N+](=O)[O-])[NH+]1CC1 ZINC000027181316 188109734 /nfs/dbraw/zinc/10/97/34/188109734.db2.gz AVMORFZLEXYPHX-MRVPVSSYSA-N 1 2 240.263 0.246 1 5 BCBFLO