smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(O)COC2(CCN(C(=O)[C@H](N)CCCC[NH3+])CC2)C[C@@H]1n1c2ccccc2c(=O)[nH]c1=O ZINC000257255620 570124776 /nfs/dbraw/zinc/12/47/76/570124776.db2.gz KIFMOYBOMGMADT-FHJLPGHOSA-N 1 3 473.574 0.632 40 0 JCABHO CCOc1cc(CN2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)ccc1OCCN1CCOCC1 ZINC000257310192 570141384 /nfs/dbraw/zinc/14/13/84/570141384.db2.gz UEBVPEBKQVSQFP-RUZDIDTESA-N 1 3 462.635 0.981 40 0 JCABHO CCOc1cc(CN2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)ccc1OCCN1CCOCC1 ZINC000257310193 570141406 /nfs/dbraw/zinc/14/14/06/570141406.db2.gz UEBVPEBKQVSQFP-VWLOTQADSA-N 1 3 462.635 0.981 40 0 JCABHO