smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(NO)NN=Cc1ccccc1F 34055734 169142798 /nfs/dbraw/zinc/14/27/98/169142798.db2.gz QOVHHJPYJVDSFZ-VZUCSPMQSA-N 1 2 196.185 0.663 1 30 ACEFLO [NH2+]=C(NO)NN=Cc1cccs1 6513094 169143266 /nfs/dbraw/zinc/14/32/66/169143266.db2.gz OFOQUBZTGOCYER-XBXARRHUSA-N 1 2 184.224 0.585 1 30 ACEFLO CC(O)=C([N+]#N)C(=O)OC(C)(C)C#N 5940904 171019212 /nfs/dbraw/zinc/01/92/12/171019212.db2.gz OVPMVOVVCQTDEO-UHFFFAOYSA-N 1 2 195.178 0.092 1 30 ACEFLO [NH2+]=C(NO)NN=Cc1cccc(F)c1 6511659 171020606 /nfs/dbraw/zinc/02/06/06/171020606.db2.gz WAFILGDUKMRLJZ-VZUCSPMQSA-N 1 2 196.185 0.453 1 30 ACEFLO