smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nonc1[N-]N=C1C(=O)NC(=O)NC1=O ZINC000003090845 388363764 /nfs/dbraw/zinc/36/37/64/388363764.db2.gz NDFQOLCAJUMBDE-UHFFFAOYSA-N -1 1 239.151 -2.214 40 30 BAEBMM N#CC(=N[N-]c1nc(C#N)c(C#N)[nH]1)C(N)=O ZINC000016956785 181025409 /nfs/dbraw/zinc/02/54/09/181025409.db2.gz FUBVVQSHRDZDBW-GIDUJCDVSA-N -1 1 228.175 -1.070 40 30 BAEBMM NC(=N/O)/C(=N/O)C(=N/[O-])/C(N)=N/O ZINC000111484632 526846526 /nfs/dbraw/zinc/84/65/26/526846526.db2.gz SIAXCLKKVVQDFA-JOTJMYPPSA-N -1 1 204.146 -1.860 40 30 BAEBMM