smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=NNC1=[NH+]CCCN1)c1cn2cc(C=NNC3=[NH+]CCCN3)ccc2n1 ZINC000095544191 209078975 /nfs/dbraw/zinc/07/89/75/209078975.db2.gz TVAJPNYGKMYCRW-GIUJBALDSA-N 2 2 366.433 -0.120 1 30 FBEFLP C[C@H]([NH3+])C(=O)OC[C@H]1S[C@@H](CC=O)S[C@H]1COC(=O)[C@H](C)[NH3+] ZINC000096889920 222136753 /nfs/dbraw/zinc/13/67/53/222136753.db2.gz UXLMUBXOLPERJB-MFDAYCCISA-N 2 2 350.462 -0.101 1 30 FBEFLP