smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1CCNC(N)=[NH2+] ZINC000064539491 173205630 /nfs/dbraw/zinc/20/56/30/173205630.db2.gz YAXBDFGVNZOPAX-FKSUSPILSA-N 1 3 232.284 -2.744 1 0 BAAFHO N=C(N)Nc1nc(N)nc2c1ncn2CC[NH3+] ZINC000095592127 181191611 /nfs/dbraw/zinc/19/16/11/181191611.db2.gz LLXFRSWPKMGMGX-UHFFFAOYSA-N 1 3 235.255 -1.327 1 0 BAAFHO