smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C23CN4CC(C[NH+](C2)CC4)/C3=N\N=C2/C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1 ZINC000022942262 555992708 /nfs/dbraw/zinc/99/27/08/555992708.db2.gz HHFFAAUUEOLJFH-WWQQVGJXSA-N 2 1 480.660 2.181 50 30 JEEAMP C=CCOc1ccccc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000012218858 519070563 /nfs/dbraw/zinc/07/05/63/519070563.db2.gz XBHZUSISTCISEE-IBGZPJMESA-N 2 1 452.603 2.420 50 30 JEEAMP C=CCOc1ccccc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000012218857 519070544 /nfs/dbraw/zinc/07/05/44/519070544.db2.gz XBHZUSISTCISEE-LJQANCHMSA-N 2 1 452.603 2.420 50 30 JEEAMP c1ccc(C23CN4CC(C[NH+](C2)CC4)C3=NN=C2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1 ZINC000252608149 570085707 /nfs/dbraw/zinc/08/57/07/570085707.db2.gz HHFFAAUUEOLJFH-UHFFFAOYSA-N 2 1 480.660 2.181 50 30 JEEAMP