smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000048274218 206081679 /nfs/dbraw/zinc/08/16/79/206081679.db2.gz RDKSLNODHIDHLO-UHFFFAOYSA-N 2 1 359.430 1.946 50 5 FDBAMP O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000225736274 537558323 /nfs/dbraw/zinc/55/83/23/537558323.db2.gz MJLKMHXGHOBVRW-MAUKXSAKSA-N 2 1 359.382 1.883 50 5 FDBAMP O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000048273838 206082881 /nfs/dbraw/zinc/08/28/81/206082881.db2.gz GUJVNBPCZNDITG-UHFFFAOYSA-N 2 1 359.430 1.946 50 5 FDBAMP O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000225736302 537558300 /nfs/dbraw/zinc/55/83/00/537558300.db2.gz MJLKMHXGHOBVRW-CRAIPNDOSA-N 2 1 359.382 1.883 50 5 FDBAMP