smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)c1ccc(Nc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)cc1 ZINC000005840560 569026561 /nfs/dbraw/zinc/02/65/61/569026561.db2.gz LQHFYOHONIWKND-UHFFFAOYSA-N 2 2 405.929 6.640 50 10 HKCALP Oc1ccc(-c2nc3ccccc3s2)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000012040943 558312804 /nfs/dbraw/zinc/31/28/04/558312804.db2.gz HLGSQFGHXNYZBH-UHFFFAOYSA-N 2 2 407.583 5.119 50 10 HKCALP