smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1N=Nc1ccc(NN=C2C=CC([O-])=CC2=O)c(C)c1 ZINC000017967898 563846740 /nfs/dbraw/zinc/84/67/40/563846740.db2.gz IEAVHKYXMGYCCH-RLPYSRNMSA-N -1 1 346.390 6.545 40 10 EKCBMM Cc1ccccc1N=Nc1ccc(NN=C2C=CC([O-])=CC2=O)c(C)c1 ZINC000104366909 219380697 /nfs/dbraw/zinc/38/06/97/219380697.db2.gz IEAVHKYXMGYCCH-ICHHBZPXSA-N -1 1 346.390 6.545 40 10 EKCBMM Cc1ccccc1N=Nc1ccc(NN=C2C=CC([O-])=CC2=O)c(C)c1 ZINC000104366914 219379958 /nfs/dbraw/zinc/37/99/58/219379958.db2.gz IEAVHKYXMGYCCH-ZCAPXNBXSA-N -1 1 346.390 6.545 40 10 EKCBMM Cc1ccccc1N=Nc1ccc(NN=C2C=CC([O-])=CC2=O)c(C)c1 ZINC000104366917 219380733 /nfs/dbraw/zinc/38/07/33/219380733.db2.gz IEAVHKYXMGYCCH-KATZTRTISA-N -1 1 346.390 6.545 40 10 EKCBMM Cc1ccc(Sc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000261114355 564132570 /nfs/dbraw/zinc/13/25/70/564132570.db2.gz IODJJMFTTGGLEP-XNTDXEJSSA-N -1 1 343.498 5.046 40 10 EKCBMM