smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161126121 436883941 /nfs/dbraw/zinc/88/39/41/436883941.db2.gz HGXZQXKBSQSIAI-CQSZACIVSA-N 2 2 349.483 0.260 10 70 ECIELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161126121 436883943 /nfs/dbraw/zinc/88/39/43/436883943.db2.gz HGXZQXKBSQSIAI-CQSZACIVSA-N 2 2 349.483 0.260 10 70 ECIELP CN(CC[N@H+](C)Cc1ccc(F)cc1)C[C@H](O)C[NH+]1CCOCC1 ZINC000160086048 436867469 /nfs/dbraw/zinc/86/74/69/436867469.db2.gz KSTGIIUAKKAUQG-SFHVURJKSA-N 2 2 339.455 0.882 10 70 ECIELP CN(CC[N@@H+](C)Cc1ccc(F)cc1)C[C@H](O)C[NH+]1CCOCC1 ZINC000160086048 436867473 /nfs/dbraw/zinc/86/74/73/436867473.db2.gz KSTGIIUAKKAUQG-SFHVURJKSA-N 2 2 339.455 0.882 10 70 ECIELP CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC000159737205 436863630 /nfs/dbraw/zinc/86/36/30/436863630.db2.gz YEIXMMMXPLETMB-INIZCTEOSA-N 2 2 338.496 0.873 10 70 ECIELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161126264 436883687 /nfs/dbraw/zinc/88/36/87/436883687.db2.gz HGXZQXKBSQSIAI-AWEZNQCLSA-N 2 2 349.483 0.260 10 70 ECIELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161126264 436883691 /nfs/dbraw/zinc/88/36/91/436883691.db2.gz HGXZQXKBSQSIAI-AWEZNQCLSA-N 2 2 349.483 0.260 10 70 ECIELP CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC000159737337 436863533 /nfs/dbraw/zinc/86/35/33/436863533.db2.gz YEIXMMMXPLETMB-MRXNPFEDSA-N 2 2 338.496 0.873 10 70 ECIELP