smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)cc1 ZINC000005900466 570802070 /nfs/dbraw/zinc/80/20/70/570802070.db2.gz RQDBCASJLZWDCI-QPEQYQDCSA-N -1 0 379.369 -1.143 50 10 GACARM Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)N(C)C1=O)n(C)c(=O)n(C)c2=O ZINC000009243873 221075711 /nfs/dbraw/zinc/07/57/11/221075711.db2.gz AFAAOENYIVJOKL-WAYWQWQTSA-N -1 0 376.333 -2.521 50 10 GACARM Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)N(C)C1=O)n(C)c(=O)n(C)c2=O ZINC000009886119 1074865396 /nfs/dbraw/zinc/86/53/96/1074865396.db2.gz AFAAOENYIVJOKL-AATRIKPKSA-N -1 0 376.333 -2.521 50 10 GACARM