smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNC(=O)CN(CCC[NH3+])CCC[NH3+] ZINC000028874528 187208348 /nfs/dbraw/zinc/20/83/48/187208348.db2.gz UYRZEJWEVBEREK-UHFFFAOYSA-N 2 0 226.324 -1.265 1 30 BAEFRP [NH3+]CCCNC1=[NH+][C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000058534238 181370430 /nfs/dbraw/zinc/37/04/30/181370430.db2.gz DLJHAXCHAGEDCG-NGJRWZKOSA-N 2 0 233.268 -3.220 1 30 BAEFRP