smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(Br)cc2oc3c(c2c1C[NH2+]Cc1ccccc1)CCCC3 ZINC000025329649 207302898 /nfs/dbraw/zinc/30/28/98/207302898.db2.gz JWWRXYGDPUKNMF-UHFFFAOYSA-N 1 2 386.289 5.070 3 10 GKCFLO Oc1ccc2nc(-c3ccccc3)[nH]c2c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000084604786 208093698 /nfs/dbraw/zinc/09/36/98/208093698.db2.gz ZHBCHBKBPABMRQ-UHFFFAOYSA-N 1 2 383.495 5.315 1 10 GKCFLO CCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2[N@@H+]1CC ZINC000084652921 222319161 /nfs/dbraw/zinc/31/91/61/222319161.db2.gz HMLGHCBAKXJAAW-MRGGGGICSA-N 1 2 393.487 5.199 1 10 GKCFLO CCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2[N@H+]1CC ZINC000084652921 222319164 /nfs/dbraw/zinc/31/91/64/222319164.db2.gz HMLGHCBAKXJAAW-MRGGGGICSA-N 1 2 393.487 5.199 1 10 GKCFLO