smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1([C@H]2C=CC[C@@H](c3ccccc3)C2[N+](=O)[O-])CCCC1 ZINC000004974824 170047836 /nfs/dbraw/zinc/04/78/36/170047836.db2.gz GMBJYCSBKVMOAN-ULQDDVLXSA-N 1 3 287.383 2.984 40 5 CFBBHO C[N+]1([C@H]2C=CC[C@H](c3ccccc3)C2[N+](=O)[O-])CCCC1 ZINC000004974822 170047865 /nfs/dbraw/zinc/04/78/65/170047865.db2.gz GMBJYCSBKVMOAN-IKGGRYGDSA-N 1 3 287.383 2.984 40 5 CFBBHO C[N+]1([C@@H]2C=CC[C@H](c3ccccc3)C2[N+](=O)[O-])CCCC1 ZINC000004974821 170047642 /nfs/dbraw/zinc/04/76/42/170047642.db2.gz GMBJYCSBKVMOAN-ZACQAIPSSA-N 1 3 287.383 2.984 40 5 CFBBHO C[N+]1([C@@H]2C=CC[C@@H](c3ccccc3)C2[N+](=O)[O-])CCCC1 ZINC000004974823 170047741 /nfs/dbraw/zinc/04/77/41/170047741.db2.gz GMBJYCSBKVMOAN-BBWFWOEESA-N 1 3 287.383 2.984 40 5 CFBBHO