smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O ZINC000001820411 194146055 /nfs/dbraw/zinc/14/60/55/194146055.db2.gz IULZFHLSQAAIOL-AWEZNQCLSA-N 1 1 459.463 -0.477 50 5 JBBAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O ZINC000001820412 194146126 /nfs/dbraw/zinc/14/61/26/194146126.db2.gz IULZFHLSQAAIOL-CQSZACIVSA-N 1 1 459.463 -0.477 50 5 JBBAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000005313272 523928827 /nfs/dbraw/zinc/92/88/27/523928827.db2.gz ZVFKNRFELMACJU-HNNXBMFYSA-N 1 1 473.490 -0.466 50 5 JBBAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O ZINC000005313276 523928814 /nfs/dbraw/zinc/92/88/14/523928814.db2.gz ZVFKNRFELMACJU-OAHLLOKOSA-N 1 1 473.490 -0.466 50 5 JBBAMO N=c1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2n1CCC[NH+]1CCOCC1 ZINC000015230301 555889239 /nfs/dbraw/zinc/88/92/39/555889239.db2.gz DZQYWYOTOSGWKE-UHFFFAOYSA-N 1 1 495.584 -0.087 50 5 JBBAMO