smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(O)c(C[NH+]3CCOCC3)c1)C2 ZINC000019292979 556732425 /nfs/dbraw/zinc/73/24/25/556732425.db2.gz NAHVZOKVVLVADB-UHFFFAOYSA-N 2 2 433.512 2.340 40 10 IECBLP O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(O)c(C[NH+]3CCOCC3)c1)C2 ZINC000019292979 556732427 /nfs/dbraw/zinc/73/24/27/556732427.db2.gz NAHVZOKVVLVADB-UHFFFAOYSA-N 2 2 433.512 2.340 40 10 IECBLP