smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc2c(c1)[nH+]c1cc(N(C)C)ccc1c2SCC[N@@H+](C)Cc1ccccc1 ZINC000071767291 556887559 /nfs/dbraw/zinc/88/75/59/556887559.db2.gz NHXIJTZAOBAALE-UHFFFAOYSA-N 2 1 444.648 5.744 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169679901 556689440 /nfs/dbraw/zinc/68/94/40/556689440.db2.gz ZJGJKBMKZICZAM-RBBKRZOGSA-N 2 1 447.501 5.315 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169679901 556689443 /nfs/dbraw/zinc/68/94/43/556689443.db2.gz ZJGJKBMKZICZAM-RBBKRZOGSA-N 2 1 447.501 5.315 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034723304 568734133 /nfs/dbraw/zinc/73/41/33/568734133.db2.gz ZJGJKBMKZICZAM-IRLDBZIGSA-N 2 1 447.501 5.315 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034723304 568734134 /nfs/dbraw/zinc/73/41/34/568734134.db2.gz ZJGJKBMKZICZAM-IRLDBZIGSA-N 2 1 447.501 5.315 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C[NH+]2CCCCC2)C1 ZINC000034723302 568734152 /nfs/dbraw/zinc/73/41/52/568734152.db2.gz ZJGJKBMKZICZAM-UNMCSNQZSA-N 2 1 447.501 5.315 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C[NH+]2CCCCC2)C1 ZINC000034723302 568734153 /nfs/dbraw/zinc/73/41/53/568734153.db2.gz ZJGJKBMKZICZAM-UNMCSNQZSA-N 2 1 447.501 5.315 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105047219 557473455 /nfs/dbraw/zinc/47/34/55/557473455.db2.gz ZJGJKBMKZICZAM-IFMALSPDSA-N 2 1 447.501 5.315 50 5 IKBAMP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105047219 557473458 /nfs/dbraw/zinc/47/34/58/557473458.db2.gz ZJGJKBMKZICZAM-IFMALSPDSA-N 2 1 447.501 5.315 50 5 IKBAMP