smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OC ZINC000009211003 520855034 /nfs/dbraw/zinc/85/50/34/520855034.db2.gz GKDZVBPYQKEXCY-SNIPAVBPSA-N 0 1 459.463 -0.127 50 30 biogenic JBEAMN COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc(OC)c1OC ZINC000253623340 1069095664 /nfs/dbraw/zinc/09/56/64/1069095664.db2.gz GYCRDNQPBMMJNV-CRBWCREHSA-N 0 1 491.461 -0.803 50 30 JBEAMN COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc(OC)c1OC ZINC000253623341 1069095445 /nfs/dbraw/zinc/09/54/45/1069095445.db2.gz GYCRDNQPBMMJNV-VRTASPISSA-N 0 1 491.461 -0.803 50 30 JBEAMN