smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000762993885 1077989580 /nfs/dbraw/zinc/98/95/80/1077989580.db2.gz DCSNLBWJYXFKBZ-NRFANRHFSA-N 2 0 405.543 0.573 20 10 HCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000762993887 1077989039 /nfs/dbraw/zinc/98/90/39/1077989039.db2.gz DCSNLBWJYXFKBZ-OAQYLSRUSA-N 2 0 405.543 0.573 20 10 HCCDRP CC[NH+]1CCN(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000916972495 1078181164 /nfs/dbraw/zinc/18/11/64/1078181164.db2.gz XIROBYVWVKKIAO-UHFFFAOYSA-N 2 0 403.571 0.961 20 10 HCCDRP