smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](O)CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000106398258 204192845 /nfs/dbraw/zinc/19/28/45/204192845.db2.gz YTVHKBOTEUQHDP-ZDUSSCGKSA-N 0 0 336.392 0.922 10 5 ECBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000175095120 207093448 /nfs/dbraw/zinc/09/34/48/207093448.db2.gz KZCRYNSHJXGART-ZDUSSCGKSA-N 0 0 343.405 0.821 10 5 ECBERN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000180825843 164938742 /nfs/dbraw/zinc/93/87/42/164938742.db2.gz KUTPXUGSYMERCW-SMDDNHRTSA-N 0 0 334.376 0.970 10 5 ECBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000184931260 164967208 /nfs/dbraw/zinc/96/72/08/164967208.db2.gz TZOXOTPEOUHZHN-OCCSQVGLSA-N 0 0 335.360 0.876 10 5 ECBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000262779227 165386926 /nfs/dbraw/zinc/38/69/26/165386926.db2.gz 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