smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(-c2c(O)c(O)cc3c2CC[N@H+](C)C[C@H]3c2cccc(C)c2)c1 ZINC000040937033 205085125 /nfs/dbraw/zinc/08/51/25/205085125.db2.gz UMKIZESDRWUELC-QFIPXVFZSA-N 1 1 373.496 5.001 1 10 FKCFMO Cc1cccc(-c2c(O)c(O)cc3c2CC[N@H+](C)C[C@@H]3c2cccc(C)c2)c1 ZINC000040937035 208276242 /nfs/dbraw/zinc/27/62/42/208276242.db2.gz UMKIZESDRWUELC-JOCHJYFZSA-N 1 1 373.496 5.001 1 10 FKCFMO CCC[N@H+]1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000043013693 208300168 /nfs/dbraw/zinc/30/01/68/208300168.db2.gz DSINXCRDVCZBKB-OAQYLSRUSA-N 1 1 371.480 5.297 1 10 in-vivo FKCFMO Nc1nn2c(c1N=Nc1ccc(N=Nc3ccccc3)cc1)NC(=[NH2+])CC2 ZINC000045245530 205119153 /nfs/dbraw/zinc/11/91/53/205119153.db2.gz GWXCVYXUOSVZMU-VTJHEJDCSA-N 1 1 359.397 5.089 1 10 FKCFMO