smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c2ccccc2c1/N=N/c1cccc(C(=O)[O-])c1 ZINC000006417874 170200171 /nfs/dbraw/zinc/20/01/71/170200171.db2.gz JVBIRLVMIFBNBF-VHEBQXMUSA-N -1 0 279.299 4.590 1 10 CJCFRM Cc1[nH]c2ccccc2c1/N=N/c1ccccc1C(=O)[O-] ZINC000008683932 170345438 /nfs/dbraw/zinc/34/54/38/170345438.db2.gz ZZASMDVXOHOVCI-VHEBQXMUSA-N -1 0 279.299 4.590 1 10 CJCFRM Cc1[nH]c2ccccc2c1/N=N\c1cccc(C(=O)[O-])c1 ZINC000012377638 170481877 /nfs/dbraw/zinc/48/18/77/170481877.db2.gz JVBIRLVMIFBNBF-HNENSFHCSA-N -1 0 279.299 4.590 1 10 CJCFRM O=C([O-])CCCCOc1ccc(/N=N/c2ccccc2)cc1 ZINC000072116546 176318699 /nfs/dbraw/zinc/31/86/99/176318699.db2.gz FTWMBTQFTNWFEU-VHEBQXMUSA-N -1 0 298.342 4.736 1 10 CJCFRM