smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000248806102 566089973 /nfs/dbraw/zinc/08/99/73/566089973.db2.gz BFMAYFRIKZHSPT-KBPBESRZSA-N -1 2 382.258 3.117 10 10 GGCELM O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000033290949 570959222 /nfs/dbraw/zinc/95/92/22/570959222.db2.gz DJUUZXKLCIZGTG-LFIBNONCSA-N -1 2 391.339 3.022 10 10 GGCELM CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000248806108 566090092 /nfs/dbraw/zinc/09/00/92/566090092.db2.gz BFMAYFRIKZHSPT-KGLIPLIRSA-N -1 2 382.258 3.117 10 10 GGCELM