smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CCN(C)CCO ZINC001149205952 849631953 /nfs/dbraw/zinc/63/19/53/849631953.db2.gz NSYVCYINBJRRRT-UHFFFAOYSA-N 0 3 356.354 0.688 10 5 FCBEHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OCCCNCc2cnsn2)CC1 ZINC001282581642 864352558 /nfs/dbraw/zinc/35/25/58/864352558.db2.gz CFJKNPOVYABJLD-ZIAGYGMSSA-N 0 3 369.447 0.691 10 5 FCBEHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC001350366635 866577282 /nfs/dbraw/zinc/57/72/82/866577282.db2.gz ZLUJUGBGKQWYBJ-LBPRGKRZSA-N 0 3 356.404 0.210 10 5 FCBEHN O=C([C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCOCC1 ZINC000179313470 209075928 /nfs/dbraw/zinc/07/59/28/209075928.db2.gz KFUIXBSFRGILNG-CQSZACIVSA-N 0 3 364.402 0.327 10 5 FCBEHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301986764 488886598 /nfs/dbraw/zinc/88/65/98/488886598.db2.gz ZKZGCAFELVVOFK-GFCCVEGCSA-N 0 3 359.390 0.556 10 5 FCBEHN O=C1NC(=O)[C@@]2(CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060433 488914317 /nfs/dbraw/zinc/91/43/17/488914317.db2.gz LMOASAALNDUNPA-LRDDRELGSA-N 0 3 364.358 0.009 10 5 FCBEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246777243 488475652 /nfs/dbraw/zinc/47/56/52/488475652.db2.gz SFRJDZPNRZEMAM-GDBMZVCRSA-N 0 3 363.422 0.773 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000273048867 488628178 /nfs/dbraw/zinc/62/81/78/488628178.db2.gz FDZSJDGKQYEWKT-CQSZACIVSA-N 0 3 359.386 0.825 10 5 FCBEHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000426488529 489571321 /nfs/dbraw/zinc/57/13/21/489571321.db2.gz VPSXRHJCEXSGFR-ZDUSSCGKSA-N 0 3 364.402 0.891 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000427154459 489596568 /nfs/dbraw/zinc/59/65/68/489596568.db2.gz HNVLYQIGISONAQ-CYBMUJFWSA-N 0 3 352.395 0.290 10 5 FCBEHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000478461389 490020165 /nfs/dbraw/zinc/02/01/65/490020165.db2.gz QQOTXMPEXZZQSF-UHFFFAOYSA-N 0 3 358.358 0.938 10 5 FCBEHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000564857208 491331739 /nfs/dbraw/zinc/33/17/39/491331739.db2.gz ZBRYZHYFYPZYKB-HOTGVXAUSA-N 0 3 359.386 0.937 10 5 FCBEHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000564857207 491331847 /nfs/dbraw/zinc/33/18/47/491331847.db2.gz ZBRYZHYFYPZYKB-CVEARBPZSA-N 0 3 359.386 0.937 10 5 FCBEHN CS(=O)(=O)N1CC[C@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085860 490761773 /nfs/dbraw/zinc/76/17/73/490761773.db2.gz ZMHQVFNLJJUJMW-OLZOCXBDSA-N 0 3 369.447 0.758 10 5 FCBEHN C[C@H]1CCN(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000573336711 491427176 /nfs/dbraw/zinc/42/71/76/491427176.db2.gz ZEGILEAGUVLHDQ-LBPRGKRZSA-N 0 3 370.431 0.331 10 5 FCBEHN O=C(CN1CCNC[C@@H]1C(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576227905 491594880 /nfs/dbraw/zinc/59/48/80/491594880.db2.gz KFMVBAFNHAZDMD-SNVBAGLBSA-N 0 3 358.301 0.801 10 5 FCBEHN COC(=O)c1cc(C)nc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000591984798 491826803 /nfs/dbraw/zinc/82/68/03/491826803.db2.gz HTXKXPROIJEPOX-NSHDSACASA-N 0 3 365.390 0.641 10 5 FCBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000591984829 491826905 /nfs/dbraw/zinc/82/69/05/491826905.db2.gz IUENUZXIHVJLPE-LLVKDONJSA-N 0 3 350.375 0.938 10 5 FCBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@@H]4CNCCO4)CC3)nc2c1 ZINC000595891432 491959557 /nfs/dbraw/zinc/95/95/57/491959557.db2.gz HYNDJKDLADLHFN-AWEZNQCLSA-N 0 3 360.418 0.972 10 5 FCBEHN Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000613078487 491965286 /nfs/dbraw/zinc/96/52/86/491965286.db2.gz QLAXDCIOVLMULU-BETUJISGSA-N 0 3 350.423 0.915 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597574875 492048869 /nfs/dbraw/zinc/04/88/69/492048869.db2.gz SRDMOAZFLFYMLU-INIZCTEOSA-N 0 3 351.359 0.852 10 5 FCBEHN CCN1CCN(CCCNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598591111 492106126 /nfs/dbraw/zinc/10/61/26/492106126.db2.gz SQGJEWRYIJQWSF-UHFFFAOYSA-N 0 3 351.407 1.216 10 5 FCBEHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599106674 492135902 /nfs/dbraw/zinc/13/59/02/492135902.db2.gz GWDQKVNDAHGVSD-VHSXEESVSA-N 0 3 357.388 0.785 10 5 FCBEHN COc1c(F)cc(S(=O)(=O)[N-]CCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599110225 492136372 /nfs/dbraw/zinc/13/63/72/492136372.db2.gz LYWXUAAIILWMLD-UHFFFAOYSA-N 0 3 351.356 0.386 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007692 492228339 /nfs/dbraw/zinc/22/83/39/492228339.db2.gz XPNFVOSXRXXATO-UHFFFAOYSA-N 0 3 351.407 0.813 10 5 FCBEHN CN(C)CCN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593235641 546964254 /nfs/dbraw/zinc/96/42/54/546964254.db2.gz XDBKURUXWHTXAW-UHFFFAOYSA-N 0 3 366.443 0.919 10 5 FCBEHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593551635 546974081 /nfs/dbraw/zinc/97/40/81/546974081.db2.gz BXUHGIFWWQULKK-CYBMUJFWSA-N 0 3 371.463 0.542 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593749806 546990862 /nfs/dbraw/zinc/99/08/62/546990862.db2.gz XELQTTLBASGEEF-LLVKDONJSA-N 0 3 352.366 0.855 10 5 FCBEHN CC(C)c1n[nH]c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593785216 546991425 /nfs/dbraw/zinc/99/14/25/546991425.db2.gz YYNVGLQDYVISGZ-UHFFFAOYSA-N 0 3 352.395 0.287 10 5 FCBEHN CC(C)c1[nH]nc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593785216 546991434 /nfs/dbraw/zinc/99/14/34/546991434.db2.gz YYNVGLQDYVISGZ-UHFFFAOYSA-N 0 3 352.395 0.287 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844033501 670884911 /nfs/dbraw/zinc/88/49/11/670884911.db2.gz FFFWIKMWXGRJCM-SMDDNHRTSA-N 0 3 350.375 0.207 10 5 FCBEHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccc(F)cc1 ZINC001670782315 1186294054 /nfs/dbraw/zinc/29/40/54/1186294054.db2.gz ZHNJAHXOAIMHBR-CHWSQXEVSA-N 0 3 350.350 0.668 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1=O ZINC000593784547 1196820192 /nfs/dbraw/zinc/82/01/92/1196820192.db2.gz QXCSOHVWGNLTHO-UHFFFAOYSA-N 0 3 359.386 0.922 10 5 FCBEHN COc1ccc(NC(=O)[C@@H](C)N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027920 1196847322 /nfs/dbraw/zinc/84/73/22/1196847322.db2.gz VMHLMCQGKGXCRM-FRRDWIJNSA-N 0 3 364.402 0.681 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027349 1196847417 /nfs/dbraw/zinc/84/74/17/1196847417.db2.gz NIABQOREODGZTO-FPMFFAJLSA-N 0 3 364.402 0.681 10 5 FCBEHN CCN(CCNCc1nncn1-c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273375310 1198052004 /nfs/dbraw/zinc/05/20/04/1198052004.db2.gz ROGUNWWHHNFWNW-HUUCEWRRSA-N 0 3 358.402 0.871 10 5 FCBEHN COC(=O)[C@@]1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175669983 1206306968 /nfs/dbraw/zinc/30/69/68/1206306968.db2.gz XNZPHQDMMXRUIB-MRXNPFEDSA-N 0 3 367.358 0.542 10 5 FCBEHN O=C(c1cncc2nc[nH]c21)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007151 1246427073 /nfs/dbraw/zinc/42/70/73/1246427073.db2.gz GGVRMSRRKXWESQ-ZWNOBZJWSA-N 0 3 358.358 0.298 10 5 FCBEHN CN1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(C)(C)C1 ZINC001472025895 1261426574 /nfs/dbraw/zinc/42/65/74/1261426574.db2.gz HYCOJSNLRZYFQK-LBPRGKRZSA-N 0 3 360.370 0.647 10 5 FCBEHN CN(CC1CC1)C(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001282964531 1261662850 /nfs/dbraw/zinc/66/28/50/1261662850.db2.gz IDGNOBRPDSMMPM-HUUCEWRRSA-N 0 3 364.446 0.444 10 5 FCBEHN Nc1ncc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001293982000 1262724235 /nfs/dbraw/zinc/72/42/35/1262724235.db2.gz LNFQBHIRRXFFDY-GOSISDBHSA-N 0 3 371.397 0.939 10 5 FCBEHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298083584 1262910131 /nfs/dbraw/zinc/91/01/31/1262910131.db2.gz LIIPUYWNXOQIBU-AWEZNQCLSA-N 0 3 374.401 0.752 10 5 FCBEHN CCc1nc(CNCC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001484953752 1263494252 /nfs/dbraw/zinc/49/42/52/1263494252.db2.gz YRIARLIDHFLNRE-CHWSQXEVSA-N 0 3 368.459 0.814 10 5 FCBEHN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)CCc1nnc[nH]1 ZINC001530217082 1267101829 /nfs/dbraw/zinc/10/18/29/1267101829.db2.gz YXCKAPZMVWVDDC-CHWSQXEVSA-N 0 3 364.406 0.100 10 5 FCBEHN CCN1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001558498665 1269101235 /nfs/dbraw/zinc/10/12/35/1269101235.db2.gz HZBRRCVWWKVOJO-AWEZNQCLSA-N 0 3 363.418 0.995 10 5 FCBEHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001567356113 1269691333 /nfs/dbraw/zinc/69/13/33/1269691333.db2.gz NIYBQYQRTCNOIL-GFCCVEGCSA-N 0 3 370.431 0.845 10 5 FCBEHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993635 1282129432 /nfs/dbraw/zinc/12/94/32/1282129432.db2.gz DRTHWWAFWQJOGJ-KBPBESRZSA-N 0 3 372.385 0.769 10 5 FCBEHN COc1ccc(C(=O)CNC(=O)C[C@]2(O)CCCN(C)C2)cc1[N+](=O)[O-] ZINC001587092003 1282329745 /nfs/dbraw/zinc/32/97/45/1282329745.db2.gz YEAHJHLWFMSBKX-QGZVFWFLSA-N 0 3 365.386 0.749 10 5 FCBEHN C[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC001596175531 1286287776 /nfs/dbraw/zinc/28/77/76/1286287776.db2.gz PLMGOHFAOQSNRI-GXTWGEPZSA-N 0 3 362.434 0.670 10 5 FCBEHN Cc1nccnc1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001731358436 1288553669 /nfs/dbraw/zinc/55/36/69/1288553669.db2.gz VICZLCRLBCUTHF-GDBMZVCRSA-N 0 3 362.434 0.074 10 5 FCBEHN Cc1cc(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001733913253 1288635076 /nfs/dbraw/zinc/63/50/76/1288635076.db2.gz NLDSNZGPMXVEKM-CHWSQXEVSA-N 0 3 354.432 0.560 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)[C@@H]1CCCOC1 ZINC001618530006 1289917566 /nfs/dbraw/zinc/91/75/66/1289917566.db2.gz UULIOGHOBHJJMZ-BXUZGUMPSA-N 0 3 353.375 0.919 10 5 FCBEHN CCN1CCN(C[C@@H](C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627135203 1290439523 /nfs/dbraw/zinc/43/95/23/1290439523.db2.gz SDSJNFXBGYJPSN-JTQLQIEISA-N 0 3 358.830 0.975 10 5 FCBEHN CS(=O)(=O)NC[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001648250664 1291115010 /nfs/dbraw/zinc/11/50/10/1291115010.db2.gz WCCCIDZGPMPLKQ-LBPRGKRZSA-N 0 3 370.431 0.795 10 5 FCBEHN Cc1nnc(CNCCN(Cc2ccccc2)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001672388572 1292078868 /nfs/dbraw/zinc/07/88/68/1292078868.db2.gz LHBRFUDEGBMXSO-HUUCEWRRSA-N 0 3 358.402 0.897 10 5 FCBEHN CN(CCO)CCN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001149206584 849632329 /nfs/dbraw/zinc/63/23/29/849632329.db2.gz SSYSUWHXIJSZPM-UHFFFAOYSA-N 0 3 352.391 0.097 10 5 FCBEHN Cc1ncc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001265243152 859454640 /nfs/dbraw/zinc/45/46/40/859454640.db2.gz HGGDLHNEGTYUAQ-HUUCEWRRSA-N 0 3 351.407 0.272 10 5 FCBEHN Cc1csc(NC(=O)CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001323437263 869193407 /nfs/dbraw/zinc/19/34/07/869193407.db2.gz FZKIFVBOCMUMHR-NXEZZACHSA-N 0 3 353.404 0.294 10 5 FCBEHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295420429 214295988 /nfs/dbraw/zinc/29/59/88/214295988.db2.gz NJUGELKMBMGGAA-UAGQMJEPSA-N 0 3 351.403 0.739 10 5 FCBEHN COc1ccc(NC(=O)CCN2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368329241 216234973 /nfs/dbraw/zinc/23/49/73/216234973.db2.gz RUPPMFXGIRJHBC-ZDUSSCGKSA-N 0 3 364.402 0.948 10 5 FCBEHN COc1ccc(NC(=O)CCN2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270587168 211228461 /nfs/dbraw/zinc/22/84/61/211228461.db2.gz DOFFSCRDACGWPW-SNVBAGLBSA-N 0 3 351.363 0.675 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109151261 208253480 /nfs/dbraw/zinc/25/34/80/208253480.db2.gz IBJMFJSFPWVTOO-UHFFFAOYSA-N 0 3 373.417 0.495 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000177229756 209020646 /nfs/dbraw/zinc/02/06/46/209020646.db2.gz CWWHFLHVQGMVPZ-HFTRVMKXSA-N 0 3 365.430 0.987 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000272422025 488579587 /nfs/dbraw/zinc/57/95/87/488579587.db2.gz HRHMDKMWIJBPLM-LSDHHAIUSA-N 0 3 373.413 0.941 10 5 FCBEHN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755118 488590337 /nfs/dbraw/zinc/59/03/37/488590337.db2.gz HQNFHTIVWABKNQ-UWVGGRQHSA-N 0 3 357.388 0.642 10 5 FCBEHN CC(C)C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCCN(C)C ZINC000129902557 488634513 /nfs/dbraw/zinc/63/45/13/488634513.db2.gz YBPDUBWOGWFSHB-NSHDSACASA-N 0 3 354.411 0.151 10 5 FCBEHN NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)CN2CCc3ccccc3C2)c1=O ZINC000145507908 488693635 /nfs/dbraw/zinc/69/36/35/488693635.db2.gz HWTHZTQJCYSBHI-OAHLLOKOSA-N 0 3 372.381 0.275 10 5 FCBEHN CN(C)CCN(CCN(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153201265 488728680 /nfs/dbraw/zinc/72/86/80/488728680.db2.gz MMPIKQZLAMIZHQ-UHFFFAOYSA-N 0 3 358.464 0.850 10 5 FCBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000159856256 488787773 /nfs/dbraw/zinc/78/77/73/488787773.db2.gz LWAXZVKKMNDNRW-OAHLLOKOSA-N 0 3 350.419 0.943 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277937356 488793644 /nfs/dbraw/zinc/79/36/44/488793644.db2.gz ZCFYGXPMWGYKIJ-KWCYVHTRSA-N 0 3 369.422 0.997 10 5 FCBEHN O=C1C[C@@H](c2ccccc2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000173612479 488843935 /nfs/dbraw/zinc/84/39/35/488843935.db2.gz UFWSVMGCRSOVGV-HOTGVXAUSA-N 0 3 359.386 0.715 10 5 FCBEHN O=C(CNc1ccc2ncc([N+](=O)[O-])n2n1)NCCN1CCCCCC1 ZINC000431483570 489807497 /nfs/dbraw/zinc/80/74/97/489807497.db2.gz JREKQSVPKFQOPS-UHFFFAOYSA-N 0 3 361.406 1.042 10 5 FCBEHN CC1(C)NC(=O)CC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000495049232 489924728 /nfs/dbraw/zinc/92/47/28/489924728.db2.gz RCPWYPHFINUMDP-CYBMUJFWSA-N 0 3 370.431 0.520 10 5 FCBEHN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397537428 490166640 /nfs/dbraw/zinc/16/66/40/490166640.db2.gz QIHYCNJDGCHARD-UHFFFAOYSA-N 0 3 373.413 0.935 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@]2(CCO)CCOC2)cc1 ZINC000571642218 491320324 /nfs/dbraw/zinc/32/03/24/491320324.db2.gz JQQAHKBWJPAEII-OAHLLOKOSA-N 0 3 358.416 0.747 10 5 FCBEHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCCN(C)C ZINC000534786258 490408873 /nfs/dbraw/zinc/40/88/73/490408873.db2.gz VDWGFEYWJVTPFM-AWEZNQCLSA-N 0 3 351.407 0.812 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442283 491776754 /nfs/dbraw/zinc/77/67/54/491776754.db2.gz FGBZVYVTFVYJQS-DGCLKSJQSA-N 0 3 364.427 0.948 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590442907 491776856 /nfs/dbraw/zinc/77/68/56/491776856.db2.gz HZBWCXPRYVIEKN-RWMBFGLXSA-N 0 3 350.423 0.990 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590447216 491777153 /nfs/dbraw/zinc/77/71/53/491777153.db2.gz WKNRKVZXQNTUSD-GXTWGEPZSA-N 0 3 362.386 0.496 10 5 FCBEHN Cc1cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000592081612 491831112 /nfs/dbraw/zinc/83/11/12/491831112.db2.gz AVLWFPUMJWWYRH-LBPRGKRZSA-N 0 3 370.431 0.644 10 5 FCBEHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594918734 491872026 /nfs/dbraw/zinc/87/20/26/491872026.db2.gz RUNABPCGLOPLSL-LERXQTSPSA-N 0 3 371.415 0.660 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597575261 492048698 /nfs/dbraw/zinc/04/86/98/492048698.db2.gz WAQIBKXBYOKIDC-INIZCTEOSA-N 0 3 351.359 0.852 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)n1 ZINC000597990304 492076618 /nfs/dbraw/zinc/07/66/18/492076618.db2.gz LDQKMPNPZDBWDF-CQSZACIVSA-N 0 3 359.386 0.825 10 5 FCBEHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598535579 492103640 /nfs/dbraw/zinc/10/36/40/492103640.db2.gz GYOIYJBQXUGLQC-CQSZACIVSA-N 0 3 351.407 0.893 10 5 FCBEHN COC(=O)c1ccnc(N2CCC(N3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598633300 492110486 /nfs/dbraw/zinc/11/04/86/492110486.db2.gz GTOBEYVKTRUIKI-LBPRGKRZSA-N 0 3 350.375 0.812 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccccc3[C@H]2CN)n1 ZINC000599100710 492135116 /nfs/dbraw/zinc/13/51/16/492135116.db2.gz MJCQIUGKMAOOLV-GFCCVEGCSA-N 0 3 351.388 0.575 10 5 FCBEHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C13CCC3)OCCO2 ZINC000599108855 492136550 /nfs/dbraw/zinc/13/65/50/492136550.db2.gz YBJXIFGMMKCYNE-CQSZACIVSA-N 0 3 369.399 0.929 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)n1 ZINC000599248545 492148401 /nfs/dbraw/zinc/14/84/01/492148401.db2.gz NYEQYUGXUIWUAT-GFCCVEGCSA-N 0 3 357.436 0.825 10 5 FCBEHN COC(=O)c1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc([N+](=O)[O-])c1 ZINC000618924072 492243377 /nfs/dbraw/zinc/24/33/77/492243377.db2.gz PUXNRDXJZFVFJP-KRWDZBQOSA-N 0 3 365.386 0.910 10 5 FCBEHN CN(C)CCNC(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000611334875 492285957 /nfs/dbraw/zinc/28/59/57/492285957.db2.gz YYVLSHHBJSZOHK-UHFFFAOYSA-N 0 3 360.374 0.872 10 5 FCBEHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592084278 546944207 /nfs/dbraw/zinc/94/42/07/546944207.db2.gz ZKOXYZRSKFOFHG-LBPRGKRZSA-N 0 3 370.431 0.644 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592875452 546958522 /nfs/dbraw/zinc/95/85/22/546958522.db2.gz YVNFPMMNUKDYET-NSHDSACASA-N 0 3 350.375 0.795 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592898585 546960015 /nfs/dbraw/zinc/96/00/15/546960015.db2.gz INMZOJMNJDIFIL-UHFFFAOYSA-N 0 3 351.407 0.813 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000592878532 546960286 /nfs/dbraw/zinc/96/02/86/546960286.db2.gz FJUBIKJETQFDHF-LBPRGKRZSA-N 0 3 350.375 0.552 10 5 FCBEHN COc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593234068 546964382 /nfs/dbraw/zinc/96/43/82/546964382.db2.gz CVXSNBZDJLFKLU-UHFFFAOYSA-N 0 3 350.375 0.449 10 5 FCBEHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107414 669827736 /nfs/dbraw/zinc/82/77/36/669827736.db2.gz NCRNCQQOSZFCQP-GFCCVEGCSA-N 0 3 372.399 0.838 10 5 FCBEHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847038584 671168034 /nfs/dbraw/zinc/16/80/34/671168034.db2.gz BOPQOLHZONGYKX-NWDGAFQWSA-N 0 3 354.794 0.938 10 5 FCBEHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CCN(C)C)C(=O)C1 ZINC000593052071 1196606209 /nfs/dbraw/zinc/60/62/09/1196606209.db2.gz MQTDTYXYGWHULU-CYBMUJFWSA-N 0 3 363.418 0.628 10 5 FCBEHN CN(C)CCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1=O ZINC000593231877 1196764083 /nfs/dbraw/zinc/76/40/83/1196764083.db2.gz BJRHTWQLLOBAEK-UHFFFAOYSA-N 0 3 363.418 0.629 10 5 FCBEHN COc1cc(CN2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])cc1OC ZINC000593655374 1196811528 /nfs/dbraw/zinc/81/15/28/1196811528.db2.gz IFJWJEIIRRKLKQ-UHFFFAOYSA-N 0 3 366.418 0.818 10 5 FCBEHN C[C@@H]1[C@H](CO)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809653 1199094760 /nfs/dbraw/zinc/09/47/60/1199094760.db2.gz BMMCGSACTYKNLO-CABCVRRESA-N 0 3 362.430 0.946 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000844041368 1203331230 /nfs/dbraw/zinc/33/12/30/1203331230.db2.gz QXERKJSSWLBNQP-GFCCVEGCSA-N 0 3 363.418 0.853 10 5 FCBEHN CN(C)CCN1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1=O ZINC000844713456 1204429170 /nfs/dbraw/zinc/42/91/70/1204429170.db2.gz CIFMPJPISQTNHP-UHFFFAOYSA-N 0 3 363.374 0.166 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000844761384 1204434672 /nfs/dbraw/zinc/43/46/72/1204434672.db2.gz JRMJRSFSANADBV-UHFFFAOYSA-N 0 3 374.401 0.177 10 5 FCBEHN COC(=O)[C@]1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175669982 1206306817 /nfs/dbraw/zinc/30/68/17/1206306817.db2.gz XNZPHQDMMXRUIB-INIZCTEOSA-N 0 3 367.358 0.542 10 5 FCBEHN O=C1NCC2(CCOCC2)[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198146722 1208224065 /nfs/dbraw/zinc/22/40/65/1208224065.db2.gz GOTMNWPXJIZAQC-DOMZBBRYSA-N 0 3 365.386 0.219 10 5 FCBEHN CC(C)n1nccc1NC(=O)CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277055782 1225815734 /nfs/dbraw/zinc/81/57/34/1225815734.db2.gz UUKXIRMVYKPNQL-VXGBXAGGSA-N 0 3 364.406 0.306 10 5 FCBEHN O=C(CNC(=O)COc1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC001297880134 1262900122 /nfs/dbraw/zinc/90/01/22/1262900122.db2.gz JDWOESSMOPGQDD-UHFFFAOYSA-N 0 3 364.402 0.692 10 5 FCBEHN CN1CCN(Cc2cccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC001318248349 1263555439 /nfs/dbraw/zinc/55/54/39/1263555439.db2.gz OXEAQRMUNFTPGD-UHFFFAOYSA-N 0 3 373.417 0.250 10 5 FCBEHN COc1ccccc1NC(=O)CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323437545 1264429563 /nfs/dbraw/zinc/42/95/63/1264429563.db2.gz JHHRWBJMWQGVMB-DGCLKSJQSA-N 0 3 362.386 0.537 10 5 FCBEHN Cc1cncn1CC(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001531842819 1267152264 /nfs/dbraw/zinc/15/22/64/1267152264.db2.gz FFJRHIYKXMCEOE-HUUCEWRRSA-N 0 3 363.418 0.602 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@]2(COC)CN(C)C)n1 ZINC001533307780 1267213398 /nfs/dbraw/zinc/21/33/98/1267213398.db2.gz FULMRKBBJWYBDS-OAHLLOKOSA-N 0 3 355.395 0.230 10 5 FCBEHN O=C(Cc1n[nH]c2c1CCCC2)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535488310 1267295227 /nfs/dbraw/zinc/29/52/27/1267295227.db2.gz WEUNJJWFYUAUJB-BXUZGUMPSA-N 0 3 361.402 0.261 10 5 FCBEHN Cc1cc(C(=O)NCC(=O)N2CC(N[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001558549995 1269109030 /nfs/dbraw/zinc/10/90/30/1269109030.db2.gz WVOYHIHPERQXLC-CYBMUJFWSA-N 0 3 362.386 0.222 10 5 FCBEHN Cn1nc(C2CC2)nc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001714493087 1287323380 /nfs/dbraw/zinc/32/33/80/1287323380.db2.gz GWEAVPZFHMKCTD-CHWSQXEVSA-N 0 3 362.434 0.876 10 5 FCBEHN CNC(=O)c1cccc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c1 ZINC001714667729 1287329207 /nfs/dbraw/zinc/32/92/07/1287329207.db2.gz XNJKVFDELZRRJA-HZPDHXFCSA-N 0 3 360.414 0.792 10 5 FCBEHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccccc1F ZINC001716681347 1287385826 /nfs/dbraw/zinc/38/58/26/1287385826.db2.gz MGTSMLYODKPJFG-ZWNOBZJWSA-N 0 3 350.350 0.668 10 5 FCBEHN CCC(CC)NC(=O)CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001716794274 1287389714 /nfs/dbraw/zinc/38/97/14/1287389714.db2.gz REXOUFMGHNUCKF-ZIAGYGMSSA-N 0 3 354.451 0.927 10 5 FCBEHN O=C(NCC(=O)N1CC(N[C@@H]2CCOC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC001597700383 1286356709 /nfs/dbraw/zinc/35/67/09/1286356709.db2.gz JDZBAGLRIDFJHA-GFCCVEGCSA-N 0 3 363.374 0.306 10 5 FCBEHN CS(=O)(=O)c1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001597700890 1286356956 /nfs/dbraw/zinc/35/69/56/1286356956.db2.gz LQHMZBJGDVKEBX-LLVKDONJSA-N 0 3 369.399 0.201 10 5 FCBEHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncc2nc[nH]c21 ZINC001721208927 1288312185 /nfs/dbraw/zinc/31/21/85/1288312185.db2.gz CPCUIEOBHYCYQY-ZWNOBZJWSA-N 0 3 360.374 0.592 10 5 FCBEHN CCc1nocc1CN1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733913349 1288634959 /nfs/dbraw/zinc/63/49/59/1288634959.db2.gz OZDUBPLBEWTWLS-TZMCWYRMSA-N 0 3 352.391 0.345 10 5 FCBEHN CN1CCN(CCC(C)(C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001616657904 1289785548 /nfs/dbraw/zinc/78/55/48/1289785548.db2.gz GOMYURXZBXUIDV-UHFFFAOYSA-N 0 3 350.423 0.718 10 5 FCBEHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001648043775 1291098938 /nfs/dbraw/zinc/09/89/38/1291098938.db2.gz USZKCMYSSAMYMZ-ZDUSSCGKSA-N 0 3 357.411 0.951 10 5 FCBEHN Cc1ccc(N2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000246212619 209382170 /nfs/dbraw/zinc/38/21/70/209382170.db2.gz PJQPNOKBXVBLGK-OAHLLOKOSA-N 0 3 361.406 0.463 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2CCOC[C@@H]2C1 ZINC000368816307 216299358 /nfs/dbraw/zinc/29/93/58/216299358.db2.gz JVRFGVNWAHGAPV-AWEZNQCLSA-N 0 3 364.402 0.948 10 5 FCBEHN Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424397351 247207062 /nfs/dbraw/zinc/20/70/62/247207062.db2.gz ZLXBMBFTFDTSDH-LSDHHAIUSA-N 0 3 365.415 0.585 10 5 FCBEHN CCN1CCN(c2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC000471626474 250108782 /nfs/dbraw/zinc/10/87/82/250108782.db2.gz GMPJXEXGEZAZAS-UHFFFAOYSA-N 0 3 359.390 0.967 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000246486934 488473693 /nfs/dbraw/zinc/47/36/93/488473693.db2.gz GWWJKMRMOXSRKH-HIFRSBDPSA-N 0 3 351.407 0.169 10 5 FCBEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246931779 488478176 /nfs/dbraw/zinc/47/81/76/488478176.db2.gz AUHOQGRBSOOVKO-IJEWVQPXSA-N 0 3 353.419 0.721 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000128130696 488622928 /nfs/dbraw/zinc/62/29/28/488622928.db2.gz WXMDUBYIMKFUCA-ZDUSSCGKSA-N 0 3 368.438 0.308 10 5 FCBEHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000563158390 491223278 /nfs/dbraw/zinc/22/32/78/491223278.db2.gz MHAXYOROQNUBHV-GFCCVEGCSA-N 0 3 368.415 0.226 10 5 FCBEHN CN(C)Cc1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000172223813 488831356 /nfs/dbraw/zinc/83/13/56/488831356.db2.gz WOTRQBUHOQJHNF-UHFFFAOYSA-N 0 3 373.417 0.597 10 5 FCBEHN Cc1c(C(=O)N2CCC[C@@H]2CN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000268091201 488839091 /nfs/dbraw/zinc/83/90/91/488839091.db2.gz GFXXBALZNDGVRE-LLVKDONJSA-N 0 3 370.431 0.717 10 5 FCBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000173938234 488846541 /nfs/dbraw/zinc/84/65/41/488846541.db2.gz FHXZEYIVTWCGEK-HOTGVXAUSA-N 0 3 351.403 0.741 10 5 FCBEHN Cc1nc(C[C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000174770672 488851148 /nfs/dbraw/zinc/85/11/48/488851148.db2.gz ADERKISSPOVMFV-OCCSQVGLSA-N 0 3 350.379 0.798 10 5 FCBEHN CN(c1cccnn1)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174781289 488851272 /nfs/dbraw/zinc/85/12/72/488851272.db2.gz XCDBVYWCTIFLQJ-HNNXBMFYSA-N 0 3 361.406 0.543 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)[C@H](C)C1 ZINC000426485651 489569769 /nfs/dbraw/zinc/56/97/69/489569769.db2.gz OOBKQOIPQRMGIZ-CYBMUJFWSA-N 0 3 366.418 0.930 10 5 FCBEHN O=C(N[C@@H]1CNCCC1(F)F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418752300 489721768 /nfs/dbraw/zinc/72/17/68/489721768.db2.gz SYIOXAFRCLBQIG-GFCCVEGCSA-N 0 3 370.360 0.819 10 5 FCBEHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556509573 491317297 /nfs/dbraw/zinc/31/72/97/491317297.db2.gz ILNOOGKEHPXXCM-LBPRGKRZSA-N 0 3 366.418 0.870 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423036819 490526066 /nfs/dbraw/zinc/52/60/66/490526066.db2.gz LQZXYXPBXGVIAF-CVEARBPZSA-N 0 3 369.443 0.725 10 5 FCBEHN COC(=O)c1cc(C(=O)N2CCN(CCN(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000512629414 490690624 /nfs/dbraw/zinc/69/06/24/490690624.db2.gz RABCAIMLUIWUIK-UHFFFAOYSA-N 0 3 364.402 0.701 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590447221 491777038 /nfs/dbraw/zinc/77/70/38/491777038.db2.gz WKNRKVZXQNTUSD-OCCSQVGLSA-N 0 3 362.386 0.496 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000590562480 491779597 /nfs/dbraw/zinc/77/95/97/491779597.db2.gz LVHWDZIMOFUVOV-UONOGXRCSA-N 0 3 351.407 0.811 10 5 FCBEHN CCOC(=O)c1ccnc(N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000591984319 491826602 /nfs/dbraw/zinc/82/66/02/491826602.db2.gz DNIAHSUSYJZSJG-LLVKDONJSA-N 0 3 365.390 0.723 10 5 FCBEHN Cc1nc(N(C)CC2CN(C)C2)nc(N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000596453718 491986302 /nfs/dbraw/zinc/98/63/02/491986302.db2.gz MIBNKESBSYSYNQ-UHFFFAOYSA-N 0 3 363.466 0.689 10 5 FCBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC1CN(S(=O)(=O)N(C)C)C1 ZINC000599086836 492134201 /nfs/dbraw/zinc/13/42/01/492134201.db2.gz VDTPHQQZXROKCY-GFCCVEGCSA-N 0 3 356.448 0.996 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000599206298 492142196 /nfs/dbraw/zinc/14/21/96/492142196.db2.gz FOZMIQOLCAHDHJ-UHFFFAOYSA-N 0 3 352.376 0.234 10 5 FCBEHN CCC1(N2CCOCC2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599670450 492198718 /nfs/dbraw/zinc/19/87/18/492198718.db2.gz WEBNVABDELJQLI-MRXNPFEDSA-N 0 3 367.450 0.729 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000609157909 492199130 /nfs/dbraw/zinc/19/91/30/492199130.db2.gz HXKBRGNQLHJKKW-UHFFFAOYSA-N 0 3 374.463 0.717 10 5 FCBEHN CC[C@@H](Cn1cncn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000550938191 546533237 /nfs/dbraw/zinc/53/32/37/546533237.db2.gz RKKJGMHZRJCILY-LBPRGKRZSA-N 0 3 368.419 0.533 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000592873600 546960458 /nfs/dbraw/zinc/96/04/58/546960458.db2.gz OPYUQPQGGNXYBA-LLVKDONJSA-N 0 3 352.395 0.105 10 5 FCBEHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000593545454 546972931 /nfs/dbraw/zinc/97/29/31/546972931.db2.gz DXBXSSSJWPRPNR-CQSZACIVSA-N 0 3 369.447 0.390 10 5 FCBEHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000810058179 669659390 /nfs/dbraw/zinc/65/93/90/669659390.db2.gz OHVFNKPRHVYKMP-UHFFFAOYSA-N 0 3 370.391 0.621 10 5 FCBEHN COCCN(C)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503885 672132233 /nfs/dbraw/zinc/13/22/33/672132233.db2.gz TXVANSPEAZIOBQ-MRXNPFEDSA-N 0 3 350.375 0.940 10 5 FCBEHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1cc(F)cc(F)c1 ZINC001670781213 1186293706 /nfs/dbraw/zinc/29/37/06/1186293706.db2.gz HNWMHJWRPNQTBQ-CHWSQXEVSA-N 0 3 368.340 0.807 10 5 FCBEHN Cc1cc(OCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000592872138 1196586033 /nfs/dbraw/zinc/58/60/33/1196586033.db2.gz JQXVAZAXTNJNRW-ZDUSSCGKSA-N 0 3 364.402 0.860 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000592873644 1196586085 /nfs/dbraw/zinc/58/60/85/1196586085.db2.gz PTZPAYSVYXVISM-SNVBAGLBSA-N 0 3 364.358 0.516 10 5 FCBEHN COC(=O)c1cc(C)nc(N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593486059 1196632811 /nfs/dbraw/zinc/63/28/11/1196632811.db2.gz IQJPGDGMFOLWNQ-UHFFFAOYSA-N 0 3 365.390 0.295 10 5 FCBEHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000816948889 1203083872 /nfs/dbraw/zinc/08/38/72/1203083872.db2.gz JIRGHOUIIZSWMG-RISCZKNCSA-N 0 3 363.370 0.957 10 5 FCBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001186757509 1206503995 /nfs/dbraw/zinc/50/39/95/1206503995.db2.gz XASVRXRDNFTKFT-CYBMUJFWSA-N 0 3 368.438 0.711 10 5 FCBEHN Cc1cc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001490467331 1209354899 /nfs/dbraw/zinc/35/48/99/1209354899.db2.gz QPURJFHSJGSFPP-HZPDHXFCSA-N 0 3 362.434 0.074 10 5 FCBEHN COC(=O)Cc1ccc(N2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000826685512 1210971046 /nfs/dbraw/zinc/97/10/46/1210971046.db2.gz KQCTXAPNBXKZGP-GFCCVEGCSA-N 0 3 364.402 0.867 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001472258439 1261455453 /nfs/dbraw/zinc/45/54/53/1261455453.db2.gz GJOXIHNWCCZUDT-UONOGXRCSA-N 0 3 351.407 0.547 10 5 FCBEHN O=C(CCCCc1c[nH]nn1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283425790 1261685109 /nfs/dbraw/zinc/68/51/09/1261685109.db2.gz XBDJZGXDOHMIOD-ZIAGYGMSSA-N 0 3 364.406 0.290 10 5 FCBEHN C[C@H]1[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001479379569 1263188828 /nfs/dbraw/zinc/18/88/28/1263188828.db2.gz YKFAFQRWLXMCHL-BSLXNSKLSA-N 0 3 352.391 0.381 10 5 FCBEHN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nc[nH]c1C(F)(F)F ZINC001532970603 1267191766 /nfs/dbraw/zinc/19/17/66/1267191766.db2.gz ZHYBWENUFMGYNJ-HTQZYQBOSA-N 0 3 363.296 0.624 10 5 FCBEHN CCN1CCN(CCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001543829652 1267562247 /nfs/dbraw/zinc/56/22/47/1267562247.db2.gz WMDXZZLUIWWWQZ-INIZCTEOSA-N 0 3 350.419 0.772 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)n1 ZINC001545794076 1267622407 /nfs/dbraw/zinc/62/24/07/1267622407.db2.gz UGVLFCPUPHDJIU-KBPBESRZSA-N 0 3 364.450 0.909 10 5 FCBEHN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ccn[nH]2)CC1 ZINC001340474926 1268560801 /nfs/dbraw/zinc/56/08/01/1268560801.db2.gz KTYLTMMULNTLNY-DGCLKSJQSA-N 0 3 365.390 0.060 10 5 FCBEHN C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC001341682869 1269150576 /nfs/dbraw/zinc/15/05/76/1269150576.db2.gz GJHXCDNCWDDPHE-QWHCGFSZSA-N 0 3 350.423 0.426 10 5 FCBEHN C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC001565609428 1269481634 /nfs/dbraw/zinc/48/16/34/1269481634.db2.gz ORKJRRKCMXFPSP-CJNGLKHVSA-N 0 3 350.419 0.628 10 5 FCBEHN O=C(NCCN1CCN(CCc2ccccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713805477 1287299813 /nfs/dbraw/zinc/29/98/13/1287299813.db2.gz IQMIULSZROSEES-NVXWUHKLSA-N 0 3 364.421 0.767 10 5 FCBEHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403849 1282243802 /nfs/dbraw/zinc/24/38/02/1282243802.db2.gz NJXJXYGRPHPFPR-BBRMVZONSA-N 0 3 350.419 0.770 10 5 FCBEHN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001634864109 1282361253 /nfs/dbraw/zinc/36/12/53/1282361253.db2.gz GVKNYYGNPMLBNT-ZIAGYGMSSA-N 0 3 372.385 0.457 10 5 FCBEHN O=C(CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)NCCN1CCCCC1 ZINC001635484560 1282411147 /nfs/dbraw/zinc/41/11/47/1282411147.db2.gz CMCSEENEAOXVFM-UHFFFAOYSA-N 0 3 358.786 0.303 10 5 FCBEHN COCCN(C)CCN1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC1=O ZINC001642823678 1283042527 /nfs/dbraw/zinc/04/25/27/1283042527.db2.gz OFBGLBRGUORNHG-NSHDSACASA-N 0 3 371.825 0.656 10 5 FCBEHN Cc1nnc(CNCCCOC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001734083349 1288642549 /nfs/dbraw/zinc/64/25/49/1288642549.db2.gz SGLVRLLLDQIVME-ZIAGYGMSSA-N 0 3 367.406 0.531 10 5 FCBEHN CN1CCC(CCO)(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001624474893 1290274958 /nfs/dbraw/zinc/27/49/58/1290274958.db2.gz VNMZMSFHMCMGTI-UHFFFAOYSA-N 0 3 374.401 0.752 10 5 FCBEHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001644702752 1290974294 /nfs/dbraw/zinc/97/42/94/1290974294.db2.gz QLGKTSKDEFIUQQ-AHIWAGSCSA-N 0 3 374.397 0.755 10 5 FCBEHN CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001646350680 1291064462 /nfs/dbraw/zinc/06/44/62/1291064462.db2.gz XAEYZTPKHYAXQE-LBPRGKRZSA-N 0 3 370.431 0.474 10 5 FCBEHN CN(CCO)CCNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001651926448 1291251410 /nfs/dbraw/zinc/25/14/10/1291251410.db2.gz RCDCJJOWKHTNMH-UHFFFAOYSA-N 0 3 361.196 0.593 10 5 FCBEHN Cc1cc(NC(=O)CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001676050049 1292193089 /nfs/dbraw/zinc/19/30/89/1292193089.db2.gz ZSNBOTXCWFHADL-CHWSQXEVSA-N 0 3 365.390 0.510 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1F ZINC001321056654 868353274 /nfs/dbraw/zinc/35/32/74/868353274.db2.gz IMHUNLSWZKCJTL-UUSVCDRXSA-N 0 3 350.350 0.691 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246303556 209383846 /nfs/dbraw/zinc/38/38/46/209383846.db2.gz PWTVDFXTXKQEEV-DOMZBBRYSA-N 0 3 361.406 0.958 10 5 FCBEHN CN1CCN(C(=O)CC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000176238090 209000208 /nfs/dbraw/zinc/00/02/08/209000208.db2.gz KFWYWSUFXJFXMA-UHFFFAOYSA-N 0 3 364.450 0.667 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000246486959 488473837 /nfs/dbraw/zinc/47/38/37/488473837.db2.gz GWWJKMRMOXSRKH-ZFWWWQNUSA-N 0 3 351.407 0.169 10 5 FCBEHN CCOCCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000246652773 488474368 /nfs/dbraw/zinc/47/43/68/488474368.db2.gz DGQRHSXBAIOUBD-GDBMZVCRSA-N 0 3 355.439 0.585 10 5 FCBEHN CCOCCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC000246652780 488474428 /nfs/dbraw/zinc/47/44/28/488474428.db2.gz DGQRHSXBAIOUBD-GOEBONIOSA-N 0 3 355.439 0.585 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000272422014 488579727 /nfs/dbraw/zinc/57/97/27/488579727.db2.gz HRHMDKMWIJBPLM-GJZGRUSLSA-N 0 3 373.413 0.941 10 5 FCBEHN CN(C)CCn1cc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000126236197 488607915 /nfs/dbraw/zinc/60/79/15/488607915.db2.gz RLWDPMZVLRVLMG-UHFFFAOYSA-N 0 3 360.374 0.608 10 5 FCBEHN NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)CN2CCc3ccccc3C2)c1=O ZINC000145507708 488693592 /nfs/dbraw/zinc/69/35/92/488693592.db2.gz HWTHZTQJCYSBHI-HNNXBMFYSA-N 0 3 372.381 0.275 10 5 FCBEHN CN(C)CCN1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1=O ZINC000476141208 489869763 /nfs/dbraw/zinc/86/97/63/489869763.db2.gz HCCLRCPJLGSDSW-CYBMUJFWSA-N 0 3 361.402 0.285 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444723134 490110514 /nfs/dbraw/zinc/11/05/14/490110514.db2.gz UQACBCPJNOGSFG-WCQGTBRESA-N 0 3 352.313 0.787 10 5 FCBEHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000535006085 490434773 /nfs/dbraw/zinc/43/47/73/490434773.db2.gz DEFNAUCJPAVNOA-UHFFFAOYSA-N 0 3 350.375 0.995 10 5 FCBEHN COCCN1CC[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000541540949 490866001 /nfs/dbraw/zinc/86/60/01/490866001.db2.gz VPIDVAQRXMOCHX-CYBMUJFWSA-N 0 3 372.447 0.183 10 5 FCBEHN O=C(CCN[C@H](CO)CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000516927675 490885283 /nfs/dbraw/zinc/88/52/83/490885283.db2.gz VHWOEUXUAAMZLM-ZDUSSCGKSA-N 0 3 352.391 0.206 10 5 FCBEHN COCCN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518399988 490939947 /nfs/dbraw/zinc/93/99/47/490939947.db2.gz ZFYZIDCADNZSQD-GFCCVEGCSA-N 0 3 368.390 0.487 10 5 FCBEHN O=C1CCCN1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568912193 491619116 /nfs/dbraw/zinc/61/91/16/491619116.db2.gz UQDXLHFWRQSTJV-UHFFFAOYSA-N 0 3 355.416 0.971 10 5 FCBEHN Nc1nc(SCC(=O)NC2CCN(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000569002080 491626273 /nfs/dbraw/zinc/62/62/73/491626273.db2.gz WPOPEQMIUJSFRU-UHFFFAOYSA-N 0 3 352.420 0.802 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590447219 491776989 /nfs/dbraw/zinc/77/69/89/491776989.db2.gz WKNRKVZXQNTUSD-JSGCOSHPSA-N 0 3 362.386 0.496 10 5 FCBEHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919331 491872015 /nfs/dbraw/zinc/87/20/15/491872015.db2.gz XQAFRTZZHLTBLG-DDTOSNHZSA-N 0 3 371.415 0.660 10 5 FCBEHN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595383265 491926180 /nfs/dbraw/zinc/92/61/80/491926180.db2.gz BIDOQECIOHFVNF-ZDUSSCGKSA-N 0 3 355.416 0.815 10 5 FCBEHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595385233 491926658 /nfs/dbraw/zinc/92/66/58/491926658.db2.gz WXEQYRPPQDLNTB-GFCCVEGCSA-N 0 3 373.406 0.954 10 5 FCBEHN COc1cc(OCC(=O)N2CCC[C@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597575239 492049021 /nfs/dbraw/zinc/04/90/21/492049021.db2.gz VPSRDSOCARVBBR-KRWDZBQOSA-N 0 3 367.402 0.897 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccccc3[C@@H]2CN)n1 ZINC000599100714 492135152 /nfs/dbraw/zinc/13/51/52/492135152.db2.gz MJCQIUGKMAOOLV-LBPRGKRZSA-N 0 3 351.388 0.575 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000599266808 492151625 /nfs/dbraw/zinc/15/16/25/492151625.db2.gz MIVIEVBCWROCCK-WCQYABFASA-N 0 3 369.447 0.966 10 5 FCBEHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000599656390 492197125 /nfs/dbraw/zinc/19/71/25/492197125.db2.gz IPQDNJZBMAOFTB-BYNSBNAKSA-N 0 3 352.391 0.816 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000610336502 492242704 /nfs/dbraw/zinc/24/27/04/492242704.db2.gz QZWYDGJIHLGOIU-AWEZNQCLSA-N 0 3 361.406 0.570 10 5 FCBEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610925860 492269930 /nfs/dbraw/zinc/26/99/30/492269930.db2.gz IUBMFNPUXYVRDZ-ZDUSSCGKSA-N 0 3 365.386 0.943 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592083116 546944418 /nfs/dbraw/zinc/94/44/18/546944418.db2.gz QHPGXZRUMUKHMC-SNVBAGLBSA-N 0 3 374.394 0.474 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592083247 546944500 /nfs/dbraw/zinc/94/45/00/546944500.db2.gz SICCWVQHXMFYJA-NSHDSACASA-N 0 3 356.404 0.335 10 5 FCBEHN COc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592878834 546960181 /nfs/dbraw/zinc/96/01/81/546960181.db2.gz HIHMRQFQAXILCS-NSHDSACASA-N 0 3 350.375 0.795 10 5 FCBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593234171 546964919 /nfs/dbraw/zinc/96/49/19/546964919.db2.gz FQWWFSITIRPURF-UHFFFAOYSA-N 0 3 350.375 0.449 10 5 FCBEHN CN1CCN(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593528236 546970185 /nfs/dbraw/zinc/97/01/85/546970185.db2.gz IVSWKAUTZQZQPU-UHFFFAOYSA-N 0 3 357.436 0.296 10 5 FCBEHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593581184 546978823 /nfs/dbraw/zinc/97/88/23/546978823.db2.gz PDFFGIQVKOQZKR-LBPRGKRZSA-N 0 3 357.436 0.294 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000593620460 546984835 /nfs/dbraw/zinc/98/48/35/546984835.db2.gz AOOGTASGXKZDQH-UHFFFAOYSA-N 0 3 374.394 0.128 10 5 FCBEHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000912610450 1196354066 /nfs/dbraw/zinc/35/40/66/1196354066.db2.gz QGBWLORQKPAUFE-UHFFFAOYSA-N 0 3 366.418 0.428 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000593234274 1196765063 /nfs/dbraw/zinc/76/50/63/1196765063.db2.gz AZJLDLFDJVCUMA-UHFFFAOYSA-N 0 3 373.413 0.851 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844042428 1203331369 /nfs/dbraw/zinc/33/13/69/1203331369.db2.gz WDAMGFYYKOPGEQ-GFCCVEGCSA-N 0 3 374.401 0.523 10 5 FCBEHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008413 1206370739 /nfs/dbraw/zinc/37/07/39/1206370739.db2.gz KGALCNPVONUJQE-WCQYABFASA-N 0 3 366.422 0.417 10 5 FCBEHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN(C)CCO ZINC001557695460 1268966919 /nfs/dbraw/zinc/96/69/19/1268966919.db2.gz UHDIBOQKYRRUDP-GFCCVEGCSA-N 0 3 356.427 0.210 10 5 FCBEHN CC(C)(C)n1nnnc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001714133286 1287313038 /nfs/dbraw/zinc/31/30/38/1287313038.db2.gz MKGNEUHAVRPWKV-VXGBXAGGSA-N 0 3 365.438 0.612 10 5 FCBEHN CCN(CCNCc1cc(=O)n2ccsc2n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715732170 1287360845 /nfs/dbraw/zinc/36/08/45/1287360845.db2.gz RMLFLHBKCHKXNG-VXGBXAGGSA-N 0 3 365.415 0.359 10 5 FCBEHN CN(CCO)CCN(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001585898660 1282254550 /nfs/dbraw/zinc/25/45/50/1282254550.db2.gz DSPJNNAVFMQKPT-UHFFFAOYSA-N 0 3 361.402 0.991 10 5 FCBEHN O=C(NC1(CO)CCN(Cc2cccc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001700336822 1289594081 /nfs/dbraw/zinc/59/40/81/1289594081.db2.gz ZOZMSPIIVJFUPP-HUUCEWRRSA-N 0 3 351.378 0.934 10 5 FCBEHN CC(C)NC(=O)CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001700623371 1289599374 /nfs/dbraw/zinc/59/93/74/1289599374.db2.gz XJVMJHIINNXTSJ-KFZJALRRSA-N 0 3 352.435 0.347 10 5 FCBEHN CCN1CCN(C[C@@H](C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001615912417 1289764148 /nfs/dbraw/zinc/76/41/48/1289764148.db2.gz WHXRUVFHKYWQJJ-LBPRGKRZSA-N 0 3 350.423 0.575 10 5 FCBEHN CN1CCN(CCCNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001623354990 1290214372 /nfs/dbraw/zinc/21/43/72/1290214372.db2.gz JYSNDRHGAURPHX-UHFFFAOYSA-N 0 3 373.417 0.543 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC001624095194 1290251508 /nfs/dbraw/zinc/25/15/08/1290251508.db2.gz GWGYCJDNOJUGNI-UHFFFAOYSA-N 0 3 364.402 0.935 10 5 FCBEHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001626354264 1290392560 /nfs/dbraw/zinc/39/25/60/1290392560.db2.gz RXQMKPLKPKPZKQ-OAHLLOKOSA-N 0 3 361.402 0.731 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)n1 ZINC001644149391 1290942433 /nfs/dbraw/zinc/94/24/33/1290942433.db2.gz DTTIILVPGLOHAP-OLZOCXBDSA-N 0 3 351.407 0.919 10 5 FCBEHN C[C@@]1(CO)C[C@@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001654290746 1291404856 /nfs/dbraw/zinc/40/48/56/1291404856.db2.gz BKCAMQWHYLVBKL-WBMJQRKESA-N 0 3 351.359 0.710 10 5 FCBEHN C[C@]1(CO)C[C@@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001654290745 1291404935 /nfs/dbraw/zinc/40/49/35/1291404935.db2.gz BKCAMQWHYLVBKL-MLGOLLRUSA-N 0 3 351.359 0.710 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC001668822507 1291975718 /nfs/dbraw/zinc/97/57/18/1291975718.db2.gz YXVLNYIAHRICPV-WXVGIEASSA-N 0 3 368.340 0.831 10 5 FCBEHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCN(C)CCOCCO)c1F ZINC001175822195 850773594 /nfs/dbraw/zinc/77/35/94/850773594.db2.gz JHXIMZAPDXFKEA-UHFFFAOYSA-N 0 3 361.345 0.852 10 5 FCBEHN CNS(=O)(=O)c1ccc(N[C@H]2CCN(CC(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001187281974 851537724 /nfs/dbraw/zinc/53/77/24/851537724.db2.gz ULXKAJGPKGUEEX-NSHDSACASA-N 0 3 372.447 0.760 10 5 FCBEHN CCN1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000293786962 214201147 /nfs/dbraw/zinc/20/11/47/214201147.db2.gz CFBXSODOYYTDPD-UONOGXRCSA-N 0 3 350.375 0.078 10 5 FCBEHN COC(=O)[C@]12CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1COCC2 ZINC000373795393 217061132 /nfs/dbraw/zinc/06/11/32/217061132.db2.gz DPJTVIDRJNZMAF-BLLLJJGKSA-N 0 3 351.359 0.268 10 5 FCBEHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000481031508 250309059 /nfs/dbraw/zinc/30/90/59/250309059.db2.gz DCELNPBAHKXIBJ-UHFFFAOYSA-N 0 3 358.358 0.819 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C)C(C)C ZINC000326410982 488915309 /nfs/dbraw/zinc/91/53/09/488915309.db2.gz KUDKSZAZRYXSCJ-UHFFFAOYSA-N 0 3 359.404 1.000 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](NC(N)=O)C1 ZINC000270606561 488517271 /nfs/dbraw/zinc/51/72/71/488517271.db2.gz HPPRLSOAYKSPCY-JTQLQIEISA-N 0 3 351.363 0.675 10 5 FCBEHN CN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000138569280 488682121 /nfs/dbraw/zinc/68/21/21/488682121.db2.gz GJQWIQJTOOBISR-GFCCVEGCSA-N 0 3 370.431 0.474 10 5 FCBEHN Cc1nc(C[C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000174770664 488851265 /nfs/dbraw/zinc/85/12/65/488851265.db2.gz ADERKISSPOVMFV-JSGCOSHPSA-N 0 3 350.379 0.798 10 5 FCBEHN CNC(=O)CN1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363133103 489428420 /nfs/dbraw/zinc/42/84/20/489428420.db2.gz MLBMQBTZEBKEGQ-UHFFFAOYSA-N 0 3 363.418 0.677 10 5 FCBEHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617826 491258661 /nfs/dbraw/zinc/25/86/61/491258661.db2.gz HLSKTNONQYEIPY-LSDHHAIUSA-N 0 3 360.374 0.332 10 5 FCBEHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428950304 489668229 /nfs/dbraw/zinc/66/82/29/489668229.db2.gz DQSWTSXVNAGJHF-KRWDZBQOSA-N 0 3 374.401 0.282 10 5 FCBEHN O=C(N[C@H]1CNCCC1(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960266 491279833 /nfs/dbraw/zinc/27/98/33/491279833.db2.gz ROLNDIQHJMUKHZ-KOLCDFICSA-N 0 3 372.328 0.906 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN1C ZINC000421989830 490123148 /nfs/dbraw/zinc/12/31/48/490123148.db2.gz NUBQCSFWEUFYCS-AWEZNQCLSA-N 0 3 370.431 0.426 10 5 FCBEHN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCN(C2CC2)C1 ZINC000520318341 490131721 /nfs/dbraw/zinc/13/17/21/490131721.db2.gz KCFFYHWKZPMWAK-GFCCVEGCSA-N 0 3 372.381 0.886 10 5 FCBEHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958106 490732451 /nfs/dbraw/zinc/73/24/51/490732451.db2.gz VLTLGWDMZFOHDR-ZBEGNZNMSA-N 0 3 368.390 0.221 10 5 FCBEHN CN1CCN(Cc2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000513532549 490737690 /nfs/dbraw/zinc/73/76/90/490737690.db2.gz DWDDPYOEZOGQDD-UHFFFAOYSA-N 0 3 373.417 0.250 10 5 FCBEHN CS(=O)(=O)N1CC[C@@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085861 490762305 /nfs/dbraw/zinc/76/23/05/490762305.db2.gz ZMHQVFNLJJUJMW-QWHCGFSZSA-N 0 3 369.447 0.758 10 5 FCBEHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC000532398485 490992292 /nfs/dbraw/zinc/99/22/92/490992292.db2.gz VBFILVUOLNYHQD-UHFFFAOYSA-N 0 3 361.362 0.116 10 5 FCBEHN CCN1CCN([C@H](C)CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000577847915 491656599 /nfs/dbraw/zinc/65/65/99/491656599.db2.gz OHATUSPHGBUZBT-CYBMUJFWSA-N 0 3 365.434 1.523 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590442904 491776642 /nfs/dbraw/zinc/77/66/42/491776642.db2.gz HZBWCXPRYVIEKN-FRRDWIJNSA-N 0 3 350.423 0.990 10 5 FCBEHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444249 491776871 /nfs/dbraw/zinc/77/68/71/491776871.db2.gz NCXPAYUAGOIACZ-YGRLFVJLSA-N 0 3 368.415 0.327 10 5 FCBEHN CN1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445051 491777134 /nfs/dbraw/zinc/77/71/34/491777134.db2.gz PXDQOUJUXODDOP-CMPLNLGQSA-N 0 3 354.388 0.018 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000590537677 491778401 /nfs/dbraw/zinc/77/84/01/491778401.db2.gz HIKOXWGBMQMNEP-QGZVFWFLSA-N 0 3 374.401 0.704 10 5 FCBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000591986361 491826873 /nfs/dbraw/zinc/82/68/73/491826873.db2.gz UWSWIUYRQWNDMP-JTQLQIEISA-N 0 3 351.363 0.333 10 5 FCBEHN O=[N+]([O-])c1cc2c(cc1CNC[C@]1(OCCO)CCOC1)OCCO2 ZINC000594974888 491874119 /nfs/dbraw/zinc/87/41/19/491874119.db2.gz MWGGMNLEWIGKGB-MRXNPFEDSA-N 0 3 354.359 0.624 10 5 FCBEHN CN(C)CCN1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1=O ZINC000601184784 491898792 /nfs/dbraw/zinc/89/87/92/491898792.db2.gz OCPUFLXQSQHTCR-UHFFFAOYSA-N 0 3 364.328 0.557 10 5 FCBEHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595384746 491926877 /nfs/dbraw/zinc/92/68/77/491926877.db2.gz MEJNLOFWUFWDMQ-LBPRGKRZSA-N 0 3 356.404 0.210 10 5 FCBEHN COC(=O)[C@@H]1OCC[C@@H]1NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595664701 491947494 /nfs/dbraw/zinc/94/74/94/491947494.db2.gz UIZIREBXSWEZLL-SMDDNHRTSA-N 0 3 365.342 0.813 10 5 FCBEHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597989991 492076641 /nfs/dbraw/zinc/07/66/41/492076641.db2.gz JBVQUMIGUAYUBD-AWEZNQCLSA-N 0 3 359.386 0.825 10 5 FCBEHN CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536173 492103714 /nfs/dbraw/zinc/10/37/14/492103714.db2.gz NPRPQFMXHFVLQL-WCQYABFASA-N 0 3 364.402 0.932 10 5 FCBEHN CC[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1 ZINC000598536570 492103899 /nfs/dbraw/zinc/10/38/99/492103899.db2.gz SKYNGIBBNZYJJR-NWDGAFQWSA-N 0 3 362.386 0.919 10 5 FCBEHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000599111329 492136799 /nfs/dbraw/zinc/13/67/99/492136799.db2.gz HLZQRQGEUZWYER-LLVKDONJSA-N 0 3 352.376 0.199 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923752 492243659 /nfs/dbraw/zinc/24/36/59/492243659.db2.gz KYRGZCPGXPZUGY-KRWDZBQOSA-N 0 3 364.402 0.240 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000592083191 546944517 /nfs/dbraw/zinc/94/45/17/546944517.db2.gz RKBVYHNNWMZWMX-SNVBAGLBSA-N 0 3 374.394 0.474 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000592083189 546944683 /nfs/dbraw/zinc/94/46/83/546944683.db2.gz RKBVYHNNWMZWMX-JTQLQIEISA-N 0 3 374.394 0.474 10 5 FCBEHN COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000592871474 546958763 /nfs/dbraw/zinc/95/87/63/546958763.db2.gz IVHVNXFOZTUODF-LLVKDONJSA-N 0 3 350.375 0.795 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000592878531 546960275 /nfs/dbraw/zinc/96/02/75/546960275.db2.gz FJUBIKJETQFDHF-GFCCVEGCSA-N 0 3 350.375 0.552 10 5 FCBEHN COc1cccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593235330 546964813 /nfs/dbraw/zinc/96/48/13/546964813.db2.gz NVHAPQSEIVSNRJ-UHFFFAOYSA-N 0 3 350.375 0.449 10 5 FCBEHN Cc1cc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593620750 546984750 /nfs/dbraw/zinc/98/47/50/546984750.db2.gz GCIFHGMDQKPWPB-UHFFFAOYSA-N 0 3 370.431 0.298 10 5 FCBEHN NC[C@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000594525653 547000572 /nfs/dbraw/zinc/00/05/72/547000572.db2.gz SSJKGJTUWXYDMW-JTQLQIEISA-N 0 3 362.312 0.711 10 5 FCBEHN CC(COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[N+](=O)[O-] ZINC000813114721 669828110 /nfs/dbraw/zinc/82/81/10/669828110.db2.gz VRKRQKCEPPFWGC-LBPRGKRZSA-N 0 3 351.363 0.114 10 5 FCBEHN CN(C)CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593053091 1193765244 /nfs/dbraw/zinc/76/52/44/1193765244.db2.gz WVRAVUPOUPHYAQ-UHFFFAOYSA-N 0 3 363.418 0.629 10 5 FCBEHN CN(C)CCN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1=O ZINC000593052049 1196606172 /nfs/dbraw/zinc/60/61/72/1196606172.db2.gz WHXXECXINNTTSV-UHFFFAOYSA-N 0 3 364.402 0.667 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592880186 1196740476 /nfs/dbraw/zinc/74/04/76/1196740476.db2.gz PDWFEUIILRDIOD-JTQLQIEISA-N 0 3 364.358 0.516 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1=O ZINC000593234786 1196764953 /nfs/dbraw/zinc/76/49/53/1196764953.db2.gz KJCZYBDPJVRKNE-UHFFFAOYSA-N 0 3 364.358 0.170 10 5 FCBEHN COC(=O)c1cc(N2CCN(CCN(C)C)C(=O)C2)cc(C)c1[N+](=O)[O-] ZINC000593486421 1196790767 /nfs/dbraw/zinc/79/07/67/1196790767.db2.gz WUYNXRSSBSVDKZ-UHFFFAOYSA-N 0 3 364.402 0.900 10 5 FCBEHN CC(C)n1cc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)nn1 ZINC001273968297 1209944086 /nfs/dbraw/zinc/94/40/86/1209944086.db2.gz HJFSIYKQZJINCN-ZIAGYGMSSA-N 0 3 366.422 0.279 10 5 FCBEHN COC(=O)Cc1ccc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826685516 1210971235 /nfs/dbraw/zinc/97/12/35/1210971235.db2.gz KQCTXAPNBXKZGP-LBPRGKRZSA-N 0 3 364.402 0.867 10 5 FCBEHN CCC(C)(C)NC(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001276861502 1225679720 /nfs/dbraw/zinc/67/97/20/1225679720.db2.gz CSCLHKQJSUKHBH-ZIAGYGMSSA-N 0 3 366.462 0.881 10 5 FCBEHN O=C(c1ccn2cncc2c1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941011568 1246429384 /nfs/dbraw/zinc/42/93/84/1246429384.db2.gz FNCHYBFVCRBTDM-HUUCEWRRSA-N 0 3 357.370 0.674 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N1CCc2ccccc21 ZINC001316823527 1263490746 /nfs/dbraw/zinc/49/07/46/1263490746.db2.gz LVULCTAASAZOJU-GDBMZVCRSA-N 0 3 360.414 0.679 10 5 FCBEHN CCCCNC(=O)CN1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001486488926 1263540914 /nfs/dbraw/zinc/54/09/14/1263540914.db2.gz TYLVGZBWKVQOEU-HUUCEWRRSA-N 0 3 366.462 0.929 10 5 FCBEHN CCN(C(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CC1 ZINC001506861901 1264343788 /nfs/dbraw/zinc/34/37/88/1264343788.db2.gz GAPPNHSBHNDRFD-HUUCEWRRSA-N 0 3 364.446 0.587 10 5 FCBEHN CNS(=O)(=O)c1ccc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001559290494 1269165915 /nfs/dbraw/zinc/16/59/15/1269165915.db2.gz PPKLKINGLFCFPR-SNVBAGLBSA-N 0 3 356.404 0.070 10 5 FCBEHN Cc1ncc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001566639946 1269652331 /nfs/dbraw/zinc/65/23/31/1269652331.db2.gz MBFZHICDCHUXJK-HUUCEWRRSA-N 0 3 367.475 0.741 10 5 FCBEHN CCc1nnc(CNCC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001717318702 1287418478 /nfs/dbraw/zinc/41/84/78/1287418478.db2.gz GNQNTAKRLQFJQG-GHMZBOCLSA-N 0 3 369.447 0.209 10 5 FCBEHN O=C(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])NCCN1CCCCC1 ZINC001640694415 1282890476 /nfs/dbraw/zinc/89/04/76/1282890476.db2.gz CKHWAJDUKVAFEY-UHFFFAOYSA-N 0 3 366.393 0.995 10 5 FCBEHN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001593721542 1286213034 /nfs/dbraw/zinc/21/30/34/1286213034.db2.gz NAXNWSSFRWNVIU-WDEREUQCSA-N 0 3 363.399 0.881 10 5 FCBEHN Cc1cncn1CC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001739291556 1289838136 /nfs/dbraw/zinc/83/81/36/1289838136.db2.gz GYZDOPQYMBGAJA-HUUCEWRRSA-N 0 3 361.402 0.522 10 5 FCBEHN CN1C(=O)[C@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1=O ZINC001620506371 1289993502 /nfs/dbraw/zinc/99/35/02/1289993502.db2.gz BFSOVMJJCCCTLN-HZSPNIEDSA-N 0 3 358.354 0.247 10 5 FCBEHN CN1CCN(CCCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001629746747 1290622444 /nfs/dbraw/zinc/62/24/44/1290622444.db2.gz SULDRGWCAQTDGT-INIZCTEOSA-N 0 3 350.419 0.772 10 5 FCBEHN COCCN(C)CCN1C[C@H](Nc2ncc([N+](=O)[O-])cc2C)CC1=O ZINC001651161187 1291199938 /nfs/dbraw/zinc/19/99/38/1291199938.db2.gz UCEOUJWKYUQKGN-CYBMUJFWSA-N 0 3 351.407 0.889 10 5 FCBEHN CN(CC(=O)Nc1ccon1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001664874418 1291821486 /nfs/dbraw/zinc/82/14/86/1291821486.db2.gz WYNTXVGVUJHWKI-CHWSQXEVSA-N 0 3 365.390 0.449 10 5 FCBEHN O=C(NCCCOC1CCN(C(=O)c2ccn[nH]2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001678473128 1292273745 /nfs/dbraw/zinc/27/37/45/1292273745.db2.gz IEHZHPKHHOEXIZ-TZMCWYRMSA-N 0 3 365.390 0.202 10 5 FCBEHN Cc1ncoc1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001266263003 859474849 /nfs/dbraw/zinc/47/48/49/859474849.db2.gz RYEOTLOJJMSMMT-ZIAGYGMSSA-N 0 3 351.407 0.272 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1[nH]cnc1C(F)(F)F ZINC001351466491 866872938 /nfs/dbraw/zinc/87/29/38/866872938.db2.gz METCMNIRKOOEBU-HTQZYQBOSA-N 0 3 363.296 0.672 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nc[nH]c1C(F)(F)F ZINC001351466491 866872955 /nfs/dbraw/zinc/87/29/55/866872955.db2.gz METCMNIRKOOEBU-HTQZYQBOSA-N 0 3 363.296 0.672 10 5 FCBEHN CN1CCN([C@H]2CCCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000182907919 209139385 /nfs/dbraw/zinc/13/93/85/209139385.db2.gz GDVSPBWTZPAFJR-INIZCTEOSA-N 0 3 363.462 0.858 10 5 FCBEHN Cn1cc([C@H]2CNCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000181386584 209113186 /nfs/dbraw/zinc/11/31/86/209113186.db2.gz HURVNPNNMNHSIK-CQSZACIVSA-N 0 3 355.358 0.991 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000419326432 246099251 /nfs/dbraw/zinc/09/92/51/246099251.db2.gz CGIWJDCRCVTPSY-KFWWJZLASA-N 0 3 353.419 0.721 10 5 FCBEHN Cc1cc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)cc([N+](=O)[O-])c1F ZINC000180077434 209090979 /nfs/dbraw/zinc/09/09/79/209090979.db2.gz HHLKSKWXDOPLIZ-LLVKDONJSA-N 0 3 361.395 0.993 10 5 FCBEHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301923636 488885957 /nfs/dbraw/zinc/88/59/57/488885957.db2.gz GKHSQNRJDISEGB-GFCCVEGCSA-N 0 3 359.390 0.380 10 5 FCBEHN O=C1NC(=O)[C@]2(CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003660 488910180 /nfs/dbraw/zinc/91/01/80/488910180.db2.gz DCNFRXCARYJBHW-MEDUHNTESA-N 0 3 364.358 0.009 10 5 FCBEHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272362087 488575601 /nfs/dbraw/zinc/57/56/01/488575601.db2.gz SFMOUTJMICXQFM-GFCCVEGCSA-N 0 3 351.359 0.900 10 5 FCBEHN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755126 488590310 /nfs/dbraw/zinc/59/03/10/488590310.db2.gz HQNFHTIVWABKNQ-ZJUUUORDSA-N 0 3 357.388 0.642 10 5 FCBEHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOC2(CNC2)C1 ZINC000415902390 489564712 /nfs/dbraw/zinc/56/47/12/489564712.db2.gz YGICXYDHENLTLB-UHFFFAOYSA-N 0 3 354.750 0.388 10 5 FCBEHN CN1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498636438 490320578 /nfs/dbraw/zinc/32/05/78/490320578.db2.gz UWEFYAOHVBXRQQ-ZDUSSCGKSA-N 0 3 370.431 0.474 10 5 FCBEHN O=C(CCN[C@@H](CO)CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000516927674 490885230 /nfs/dbraw/zinc/88/52/30/490885230.db2.gz VHWOEUXUAAMZLM-CYBMUJFWSA-N 0 3 352.391 0.206 10 5 FCBEHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743074 491647795 /nfs/dbraw/zinc/64/77/95/491647795.db2.gz DOUGKYFDXPITNZ-VXGBXAGGSA-N 0 3 358.416 0.890 10 5 FCBEHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590565002 491779506 /nfs/dbraw/zinc/77/95/06/491779506.db2.gz IJUUUKQOZGPDOK-ZIAGYGMSSA-N 0 3 350.375 0.078 10 5 FCBEHN CN(C)CCN(CC(=O)N(C)C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601193942 491898468 /nfs/dbraw/zinc/89/84/68/491898468.db2.gz CKANBEOOVWUYRI-UHFFFAOYSA-N 0 3 366.344 0.803 10 5 FCBEHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2CCC[C@H]2C1 ZINC000604502301 492062195 /nfs/dbraw/zinc/06/21/95/492062195.db2.gz TZAXTDPIWWJNAT-ZDUSSCGKSA-N 0 3 360.370 0.627 10 5 FCBEHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597990738 492076961 /nfs/dbraw/zinc/07/69/61/492076961.db2.gz NDMKJVAICDPRJI-OAHLLOKOSA-N 0 3 359.386 0.674 10 5 FCBEHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598501039 492101661 /nfs/dbraw/zinc/10/16/61/492101661.db2.gz BIBZQGKOXHEAGQ-AWEZNQCLSA-N 0 3 358.402 0.864 10 5 FCBEHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598501040 492101772 /nfs/dbraw/zinc/10/17/72/492101772.db2.gz BIBZQGKOXHEAGQ-CQSZACIVSA-N 0 3 358.402 0.864 10 5 FCBEHN COC(=O)c1ccnc(N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000598595228 492106766 /nfs/dbraw/zinc/10/67/66/492106766.db2.gz HEVGDEFAICSEMT-UHFFFAOYSA-N 0 3 351.407 0.850 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000599266806 492151708 /nfs/dbraw/zinc/15/17/08/492151708.db2.gz MIVIEVBCWROCCK-AAEUAGOBSA-N 0 3 369.447 0.966 10 5 FCBEHN CC1(N2CCOCC2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000599621463 492194973 /nfs/dbraw/zinc/19/49/73/492194973.db2.gz BYZDFVDGUPAJDE-UHFFFAOYSA-N 0 3 350.419 0.943 10 5 FCBEHN O=C([C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369548 492243688 /nfs/dbraw/zinc/24/36/88/492243688.db2.gz SXQYLHQLIMQXSV-DZGCQCFKSA-N 0 3 351.407 0.487 10 5 FCBEHN CN(C)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551492487 546535782 /nfs/dbraw/zinc/53/57/82/546535782.db2.gz BDUOXZUCALWVAS-UHFFFAOYSA-N 0 3 359.180 0.974 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592083248 546944397 /nfs/dbraw/zinc/94/43/97/546944397.db2.gz SNBDDXISBRRVGQ-GFCCVEGCSA-N 0 3 370.431 0.476 10 5 FCBEHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592084275 546944473 /nfs/dbraw/zinc/94/44/73/546944473.db2.gz ZKOXYZRSKFOFHG-GFCCVEGCSA-N 0 3 370.431 0.644 10 5 FCBEHN C[NH+](C)C1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593562708 546976078 /nfs/dbraw/zinc/97/60/78/546976078.db2.gz XXLDPDUAAZEACM-UHFFFAOYSA-N 0 3 357.436 0.294 10 5 FCBEHN COc1ccc(NC(=O)CN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027919 546996178 /nfs/dbraw/zinc/99/61/78/546996178.db2.gz VMBZPZZQGQDCLL-NWDGAFQWSA-N 0 3 350.375 0.293 10 5 FCBEHN NC[C@@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000594525655 547000484 /nfs/dbraw/zinc/00/04/84/547000484.db2.gz SSJKGJTUWXYDMW-SNVBAGLBSA-N 0 3 362.312 0.711 10 5 FCBEHN COc1ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594532412 547000766 /nfs/dbraw/zinc/00/07/66/547000766.db2.gz RCVQPTITDCJTAP-SECBINFHSA-N 0 3 350.253 0.548 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594534431 547001800 /nfs/dbraw/zinc/00/18/00/547001800.db2.gz YMCZHRQESCFWMS-VIFPVBQESA-N 0 3 350.253 0.548 10 5 FCBEHN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCOC2(CNC2)C1 ZINC000841301835 670546645 /nfs/dbraw/zinc/54/66/45/670546645.db2.gz FLFDSJAPXFJVPN-UHFFFAOYSA-N 0 3 354.750 0.388 10 5 FCBEHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868345862 672394967 /nfs/dbraw/zinc/39/49/67/672394967.db2.gz RYSOGAHOAHWWTR-SNVBAGLBSA-N 0 3 360.208 0.939 10 5 FCBEHN CN(CCNCc1nnc(-c2ccccc2)n1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696623 1170090380 /nfs/dbraw/zinc/09/03/80/1170090380.db2.gz NNJHLKQOUTZORI-ZIAGYGMSSA-N 0 3 358.402 0.695 10 5 FCBEHN CN(C)CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593051993 1192840220 /nfs/dbraw/zinc/84/02/20/1192840220.db2.gz UBKHMVFVNSMXFR-OAHLLOKOSA-N 0 3 366.418 0.040 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592870794 1196585645 /nfs/dbraw/zinc/58/56/45/1196585645.db2.gz FTUYJPIAVSIGJF-ZDUSSCGKSA-N 0 3 363.418 0.609 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000592880957 1196740600 /nfs/dbraw/zinc/74/06/00/1196740600.db2.gz QKUZJYQMAMBIOJ-CYBMUJFWSA-N 0 3 364.402 0.942 10 5 FCBEHN COc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])cc1F ZINC000593232793 1196764183 /nfs/dbraw/zinc/76/41/83/1196764183.db2.gz DQFPKYGKRPMLPL-UHFFFAOYSA-N 0 3 368.365 0.589 10 5 FCBEHN CN1CCC(N(CCO)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC001143822103 1203338227 /nfs/dbraw/zinc/33/82/27/1203338227.db2.gz LZZZFRKKGIBHJY-UHFFFAOYSA-N 0 3 361.402 0.860 10 5 FCBEHN CN(C)CCN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1=O ZINC000853518159 1209595851 /nfs/dbraw/zinc/59/58/51/1209595851.db2.gz CQCPXACJBROAHL-UHFFFAOYSA-N 0 3 373.417 0.517 10 5 FCBEHN Cn1cc(-c2cc(CNC3(CNC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)on2)cn1 ZINC001277054440 1225816587 /nfs/dbraw/zinc/81/65/87/1225816587.db2.gz FOWHDCAFFPYOKK-TZMCWYRMSA-N 0 3 360.374 0.479 10 5 FCBEHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCCCN1CCO ZINC000833566041 1222556419 /nfs/dbraw/zinc/55/64/19/1222556419.db2.gz PWZJLUCVXNPQIG-HNNXBMFYSA-N 0 3 361.402 0.908 10 5 FCBEHN C[C@@H]1[C@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001479379573 1263188553 /nfs/dbraw/zinc/18/85/53/1263188553.db2.gz YKFAFQRWLXMCHL-JUDXGUMMSA-N 0 3 352.391 0.381 10 5 FCBEHN Cc1ccnc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001479919893 1263415961 /nfs/dbraw/zinc/41/59/61/1263415961.db2.gz MMBXOPVZZIGUEA-HUUCEWRRSA-N 0 3 362.434 0.074 10 5 FCBEHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)NCC1CCC1 ZINC001484577880 1263480166 /nfs/dbraw/zinc/48/01/66/1263480166.db2.gz NPHHGYOQQLOLPH-HUUCEWRRSA-N 0 3 364.446 0.492 10 5 FCBEHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC001499221862 1264015560 /nfs/dbraw/zinc/01/55/60/1264015560.db2.gz VNZWOUTVXNVPCZ-UKRRQHHQSA-N 0 3 358.398 0.479 10 5 FCBEHN O=C(NCC1(NCc2coc(C3CC3)n2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001500570196 1264073886 /nfs/dbraw/zinc/07/38/86/1264073886.db2.gz BHLPZDWXAMAFOF-ZIAGYGMSSA-N 0 3 364.402 0.972 10 5 FCBEHN C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC001565609427 1269481896 /nfs/dbraw/zinc/48/18/96/1269481896.db2.gz ORKJRRKCMXFPSP-BBRMVZONSA-N 0 3 350.419 0.628 10 5 FCBEHN CC(C)c1n[nH]c(C(=O)NCC(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC001569057449 1269761479 /nfs/dbraw/zinc/76/14/79/1269761479.db2.gz RNDDAVBHBCRDSA-UHFFFAOYSA-N 0 3 366.422 0.773 10 5 FCBEHN CC(C)N(CCN(C)C(=O)CCc1nnc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001572507976 1270085388 /nfs/dbraw/zinc/08/53/88/1270085388.db2.gz UUEYCOJZOQZNAZ-VXGBXAGGSA-N 0 3 352.395 0.098 10 5 FCBEHN O=C(NCCCN1CCN(Cc2ccc(F)cn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713068188 1287262055 /nfs/dbraw/zinc/26/20/55/1287262055.db2.gz MMEMEQXNUIXZJZ-HZPDHXFCSA-N 0 3 365.409 0.510 10 5 FCBEHN CCn1nc(C)c(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001714492962 1287322782 /nfs/dbraw/zinc/32/27/82/1287322782.db2.gz BLDNMKMUXQSIJZ-TZMCWYRMSA-N 0 3 350.423 0.790 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1=O ZINC001583536999 1282097414 /nfs/dbraw/zinc/09/74/14/1282097414.db2.gz IHQBDKAVTJJKSE-UHFFFAOYSA-N 0 3 369.809 0.676 10 5 FCBEHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993636 1282128842 /nfs/dbraw/zinc/12/88/42/1282128842.db2.gz DRTHWWAFWQJOGJ-KGLIPLIRSA-N 0 3 372.385 0.769 10 5 FCBEHN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001634864106 1282361244 /nfs/dbraw/zinc/36/12/44/1282361244.db2.gz GVKNYYGNPMLBNT-KBPBESRZSA-N 0 3 372.385 0.457 10 5 FCBEHN CCOC(=O)c1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001635934893 1282441790 /nfs/dbraw/zinc/44/17/90/1282441790.db2.gz GTPPNWDDKHYYCA-CYBMUJFWSA-N 0 3 363.370 0.974 10 5 FCBEHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC(N[C@H]2CCOC2)C1 ZINC001639365046 1282775629 /nfs/dbraw/zinc/77/56/29/1282775629.db2.gz MDGIHWBOODSGSR-NSHDSACASA-N 0 3 358.358 0.378 10 5 FCBEHN O=C(CCc1nnc[nH]1)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001721552894 1288350597 /nfs/dbraw/zinc/35/05/97/1288350597.db2.gz OFLIUNIKTACKEZ-CHWSQXEVSA-N 0 3 364.406 0.147 10 5 FCBEHN Cc1nnc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)s1 ZINC001700246911 1289590544 /nfs/dbraw/zinc/59/05/44/1289590544.db2.gz RHBKFFFWBHJHKN-GHMZBOCLSA-N 0 3 355.420 0.267 10 5 FCBEHN CCN1CCN(C[C@H](C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627135204 1290439735 /nfs/dbraw/zinc/43/97/35/1290439735.db2.gz SDSJNFXBGYJPSN-SNVBAGLBSA-N 0 3 358.830 0.975 10 5 FCBEHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CN1C1CC1 ZINC001630423184 1290668798 /nfs/dbraw/zinc/66/87/98/1290668798.db2.gz LFFHDPVWGXJQLB-QWRGUYRKSA-N 0 3 357.374 0.926 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)n1 ZINC001644149390 1290942423 /nfs/dbraw/zinc/94/24/23/1290942423.db2.gz DTTIILVPGLOHAP-CHWSQXEVSA-N 0 3 351.407 0.919 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761312 1291297231 /nfs/dbraw/zinc/29/72/31/1291297231.db2.gz WEDDHYCEOSQTGQ-JSGCOSHPSA-N 0 3 352.391 0.378 10 5 FCBEHN C[C@]1(CO)C[C@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001654290743 1291404681 /nfs/dbraw/zinc/40/46/81/1291404681.db2.gz BKCAMQWHYLVBKL-BLLLJJGKSA-N 0 3 351.359 0.710 10 5 FCBEHN COC(=O)[C@@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001655430939 1291468028 /nfs/dbraw/zinc/46/80/28/1291468028.db2.gz JDEVXPOASCTFBG-OAHLLOKOSA-N 0 3 355.322 0.672 10 5 FCBEHN C[C@@]1(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)COC(=O)N1 ZINC001655613859 1291477721 /nfs/dbraw/zinc/47/77/21/1291477721.db2.gz WEEPORUJYNCBHE-INIZCTEOSA-N 0 3 350.375 0.967 10 5 FCBEHN CN(CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001688021708 1293036029 /nfs/dbraw/zinc/03/60/29/1293036029.db2.gz WWMGUBXQGZHRGX-KLHDSHLOSA-N 0 3 360.414 0.547 10 5 FCBEHN COC(=O)[C@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001175669973 850770089 /nfs/dbraw/zinc/77/00/89/850770089.db2.gz XEIJWKVXKPWADU-INIZCTEOSA-N 0 3 351.359 0.842 10 5 FCBEHN C[C@@]1([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892537 853181649 /nfs/dbraw/zinc/18/16/49/853181649.db2.gz ZVTGFUXJWFYCGL-LRDDRELGSA-N 0 3 350.375 0.967 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC1CCCCCC1 ZINC001265842844 859467107 /nfs/dbraw/zinc/46/71/07/859467107.db2.gz LUGWYJBXYUCZDR-HUUCEWRRSA-N 0 3 354.451 0.929 10 5 FCBEHN O=C(NC/C=C/CNCc1ccn(CC(F)(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001268542649 859535221 /nfs/dbraw/zinc/53/52/21/859535221.db2.gz RIHDKDAPSAUOSK-NUYITTKVSA-N 0 3 361.324 0.873 10 5 FCBEHN Cc1nc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)oc1C ZINC001273969163 860644589 /nfs/dbraw/zinc/64/45/89/860644589.db2.gz ODPRJDYLINXMIJ-CHWSQXEVSA-N 0 3 352.391 0.712 10 5 FCBEHN Cn1c(Cl)cnc1CNCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274516469 860767739 /nfs/dbraw/zinc/76/77/39/860767739.db2.gz SNIDBLQTLHWVED-GHMZBOCLSA-N 0 3 371.825 0.182 10 5 FCBEHN CC[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC001299863788 866198057 /nfs/dbraw/zinc/19/80/57/866198057.db2.gz OSPAFHSKUCMWLS-LBPRGKRZSA-N 0 3 372.447 0.672 10 5 FCBEHN Cc1csc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001316958533 867511120 /nfs/dbraw/zinc/51/11/20/867511120.db2.gz ZQZDGUMXODUBAQ-ZIAGYGMSSA-N 0 3 367.475 0.741 10 5 FCBEHN CCN1CCN(CCNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000193989126 209320453 /nfs/dbraw/zinc/32/04/53/209320453.db2.gz CTBHEJPYLVERPM-UHFFFAOYSA-N 0 3 374.438 0.958 10 5 FCBEHN COc1cc(OCC(=O)NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000269589439 211017166 /nfs/dbraw/zinc/01/71/66/211017166.db2.gz MFZWMMAMHHJXIP-ZDUSSCGKSA-N 0 3 367.402 0.945 10 5 FCBEHN CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000106103208 208211665 /nfs/dbraw/zinc/21/16/65/208211665.db2.gz IIQNQKOEILZZGZ-IUODEOHRSA-N 0 3 350.419 0.971 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117233259 208341956 /nfs/dbraw/zinc/34/19/56/208341956.db2.gz CZCYURMDDRIMOV-UHFFFAOYSA-N 0 3 373.413 0.756 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(CC)CC2)n1 ZINC000191813471 488421299 /nfs/dbraw/zinc/42/12/99/488421299.db2.gz VVDALQVMPWHUKW-ZDUSSCGKSA-N 0 3 352.439 0.815 10 5 FCBEHN CN(C)CCn1cc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000126103118 488607053 /nfs/dbraw/zinc/60/70/53/488607053.db2.gz ZJSPICOPYBIVTE-UHFFFAOYSA-N 0 3 374.401 0.650 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000273035563 488626963 /nfs/dbraw/zinc/62/69/63/488626963.db2.gz GKBLSEBPAZSTII-ZDUSSCGKSA-N 0 3 364.402 0.886 10 5 FCBEHN Cc1c(C(=O)NC[C@@H]2CCCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266827391 488734673 /nfs/dbraw/zinc/73/46/73/488734673.db2.gz JZSZDRARTWICOB-JTQLQIEISA-N 0 3 356.404 0.375 10 5 FCBEHN CN(C)Cc1ccc(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)nc1 ZINC000158386090 488777835 /nfs/dbraw/zinc/77/78/35/488777835.db2.gz YEYDICBXWJRDFP-UHFFFAOYSA-N 0 3 359.390 0.737 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159174542 488783775 /nfs/dbraw/zinc/78/37/75/488783775.db2.gz FCWMGWAIUSOFDL-INIZCTEOSA-N 0 3 373.413 0.635 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000173288203 488842013 /nfs/dbraw/zinc/84/20/13/488842013.db2.gz KEZGETWIMOXZRW-HNNXBMFYSA-N 0 3 364.450 0.728 10 5 FCBEHN COC(=O)c1cc(C)nc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000367717675 489210209 /nfs/dbraw/zinc/21/02/09/489210209.db2.gz VNBYWGKHKRJSCD-NEPJUHHUSA-N 0 3 350.375 1.360 10 5 FCBEHN CN(C)CCN1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000298796636 489366228 /nfs/dbraw/zinc/36/62/28/489366228.db2.gz PBCQQBXHOBHCFG-UHFFFAOYSA-N 0 3 371.463 0.680 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429353628 489683605 /nfs/dbraw/zinc/68/36/05/489683605.db2.gz ZHLCVSHEFCNPPA-OAHLLOKOSA-N 0 3 374.401 0.594 10 5 FCBEHN CN(C)CCN1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1=O ZINC000476141217 489869422 /nfs/dbraw/zinc/86/94/22/489869422.db2.gz HCCLRCPJLGSDSW-ZDUSSCGKSA-N 0 3 361.402 0.285 10 5 FCBEHN NC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(F)(F)F ZINC000571204834 491292527 /nfs/dbraw/zinc/29/25/27/491292527.db2.gz ZDYMPMQZJIGQEY-VIFPVBQESA-N 0 3 366.321 0.830 10 5 FCBEHN COc1cc(CCNC(=O)CCOC2CNC2)c([N+](=O)[O-])cc1OC ZINC000564206188 491294060 /nfs/dbraw/zinc/29/40/60/491294060.db2.gz VBHBYSRXGUMNQU-UHFFFAOYSA-N 0 3 353.375 0.649 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444723133 490110247 /nfs/dbraw/zinc/11/02/47/490110247.db2.gz UQACBCPJNOGSFG-MVWJERBFSA-N 0 3 352.313 0.787 10 5 FCBEHN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCN(C2CC2)C1 ZINC000520318342 490132282 /nfs/dbraw/zinc/13/22/82/490132282.db2.gz KCFFYHWKZPMWAK-LBPRGKRZSA-N 0 3 372.381 0.886 10 5 FCBEHN Cc1cc(C(=O)NCC(=O)NCCNc2ccncc2)ccc1[N+](=O)[O-] ZINC000541169193 490853686 /nfs/dbraw/zinc/85/36/86/490853686.db2.gz CYUVZRICGJJTJP-UHFFFAOYSA-N 0 3 357.370 0.678 10 5 FCBEHN C[C@@H]1CCN(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000574290245 491487115 /nfs/dbraw/zinc/48/71/15/491487115.db2.gz PYWDYUYEAGIGJT-GFCCVEGCSA-N 0 3 370.431 0.331 10 5 FCBEHN NC(=O)[C@H]1CCCN1C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588005117 491737303 /nfs/dbraw/zinc/73/73/03/491737303.db2.gz PODMFXUZCNTMAP-OAHLLOKOSA-N 0 3 363.418 0.588 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590442289 491776814 /nfs/dbraw/zinc/77/68/14/491776814.db2.gz FGBZVYVTFVYJQS-YPMHNXCESA-N 0 3 364.427 0.948 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000590446005 491777229 /nfs/dbraw/zinc/77/72/29/491777229.db2.gz QGXMKEKBKIMCOA-ZWNOBZJWSA-N 0 3 358.354 0.353 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000590562477 491779471 /nfs/dbraw/zinc/77/94/71/491779471.db2.gz LVHWDZIMOFUVOV-KGLIPLIRSA-N 0 3 351.407 0.811 10 5 FCBEHN CCC1(N2CCOCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000600680906 491875711 /nfs/dbraw/zinc/87/57/11/491875711.db2.gz BHAUMPYNEZWPKZ-UHFFFAOYSA-N 0 3 351.407 0.895 10 5 FCBEHN CCOc1cc(C(=O)N2CCOC3(CNC3)C2)c([N+](=O)[O-])cc1OC ZINC000596098991 491975372 /nfs/dbraw/zinc/97/53/72/491975372.db2.gz VRDOJAZHQBDTTF-UHFFFAOYSA-N 0 3 351.359 0.817 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000597574005 492048203 /nfs/dbraw/zinc/04/82/03/492048203.db2.gz LGTIXCAXOOUUJD-QGZVFWFLSA-N 0 3 365.386 0.895 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000597574004 492048497 /nfs/dbraw/zinc/04/84/97/492048497.db2.gz LGTIXCAXOOUUJD-KRWDZBQOSA-N 0 3 365.386 0.895 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604199599 492054300 /nfs/dbraw/zinc/05/43/00/492054300.db2.gz RGRZXAXYBRJWOT-GFCCVEGCSA-N 0 3 350.375 0.544 10 5 FCBEHN Nc1nccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000597989955 492076214 /nfs/dbraw/zinc/07/62/14/492076214.db2.gz IQFGVVWBALGIPL-AWEZNQCLSA-N 0 3 371.397 1.069 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCc3cccc(CN)c32)n1 ZINC000599100026 492135144 /nfs/dbraw/zinc/13/51/44/492135144.db2.gz DXPKREHGLYCIIY-UHFFFAOYSA-N 0 3 351.388 0.929 10 5 FCBEHN CCN1CCN(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189123539 529146269 /nfs/dbraw/zinc/14/62/69/529146269.db2.gz GENOHNUSLIWZLJ-UHFFFAOYSA-N 0 3 356.448 0.652 10 5 FCBEHN COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000592871475 546958552 /nfs/dbraw/zinc/95/85/52/546958552.db2.gz IVHVNXFOZTUODF-NSHDSACASA-N 0 3 350.375 0.795 10 5 FCBEHN CCCc1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872340 546960521 /nfs/dbraw/zinc/96/05/21/546960521.db2.gz LZQSEXCQQYKRRG-JTQLQIEISA-N 0 3 352.395 0.462 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872340 546960525 /nfs/dbraw/zinc/96/05/25/546960525.db2.gz LZQSEXCQQYKRRG-JTQLQIEISA-N 0 3 352.395 0.462 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593621957 546984841 /nfs/dbraw/zinc/98/48/41/546984841.db2.gz OWALLPXRQPEIRO-UHFFFAOYSA-N 0 3 370.431 0.130 10 5 FCBEHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697338 547352519 /nfs/dbraw/zinc/35/25/19/547352519.db2.gz TZKLSEPBYAVBII-SMDDNHRTSA-N 0 3 368.415 0.907 10 5 FCBEHN CN(C)S(=O)(=O)N1CCC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819310504 668996581 /nfs/dbraw/zinc/99/65/81/668996581.db2.gz BNTNAKBDMIMLSX-UKRRQHHQSA-N 0 3 372.447 0.489 10 5 FCBEHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000851852348 671474007 /nfs/dbraw/zinc/47/40/07/671474007.db2.gz MMCLEQGZWDLHOH-LBPRGKRZSA-N 0 3 373.406 0.954 10 5 FCBEHN COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000592872910 1196586298 /nfs/dbraw/zinc/58/62/98/1196586298.db2.gz MYIUGCGTDXOEBF-SNVBAGLBSA-N 0 3 368.365 0.935 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592523753 1196652270 /nfs/dbraw/zinc/65/22/70/1196652270.db2.gz APZYPXDLBZOVHC-GFCCVEGCSA-N 0 3 364.402 0.918 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594391688 1196719361 /nfs/dbraw/zinc/71/93/61/1196719361.db2.gz BYWOXEZJGYPSMG-XQQFMLRXSA-N 0 3 366.422 0.105 10 5 FCBEHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603095 1196728341 /nfs/dbraw/zinc/72/83/41/1196728341.db2.gz IOLFMHAMOLDPRB-JKSUJKDBSA-N 0 3 362.430 0.682 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1=O ZINC000593235343 1196766135 /nfs/dbraw/zinc/76/61/35/1196766135.db2.gz OGUYLGVJKWHIGF-UHFFFAOYSA-N 0 3 364.358 0.170 10 5 FCBEHN CN(C)CCN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1=O ZINC000593486394 1196791249 /nfs/dbraw/zinc/79/12/49/1196791249.db2.gz VMUWNJMQVZFYIH-UHFFFAOYSA-N 0 3 360.374 0.454 10 5 FCBEHN CCOC(=O)c1ccnc(N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593486152 1196791680 /nfs/dbraw/zinc/79/16/80/1196791680.db2.gz MXTVKGGLXASJEA-UHFFFAOYSA-N 0 3 365.390 0.377 10 5 FCBEHN Cc1nn(C)cc1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001490467856 1209355117 /nfs/dbraw/zinc/35/51/17/1209355117.db2.gz ZBPYXUHQPOMOJR-HZPDHXFCSA-N 0 3 364.450 0.018 10 5 FCBEHN COCCN(Cc1ccn(C)n1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277398372 1226017532 /nfs/dbraw/zinc/01/75/32/1226017532.db2.gz LSCIKHUURCPEKH-HZPDHXFCSA-N 0 3 365.434 0.525 10 5 FCBEHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCCCN1CCO ZINC000833566042 1222556581 /nfs/dbraw/zinc/55/65/81/1222556581.db2.gz PWZJLUCVXNPQIG-OAHLLOKOSA-N 0 3 361.402 0.908 10 5 FCBEHN Cc1cc(NC(=O)CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001283307880 1261677983 /nfs/dbraw/zinc/67/79/83/1261677983.db2.gz VOYLWNZJLSTBIJ-CHWSQXEVSA-N 0 3 365.390 0.510 10 5 FCBEHN CN(CCc1ccccc1)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297047662 1262847508 /nfs/dbraw/zinc/84/75/08/1262847508.db2.gz SUFZHBSSSUTMMA-HZPDHXFCSA-N 0 3 360.414 0.153 10 5 FCBEHN O=C(CCc1c[nH]cn1)NCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001297642862 1262886904 /nfs/dbraw/zinc/88/69/04/1262886904.db2.gz IPVVXWYTAJXGAQ-HZPDHXFCSA-N 0 3 371.397 0.940 10 5 FCBEHN O=C(NCCN1CCN(Cc2ccc(CO)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001479931333 1263417115 /nfs/dbraw/zinc/41/71/15/1263417115.db2.gz WIUFFVDTXMTDGS-IAGOWNOFSA-N 0 3 362.430 0.078 10 5 FCBEHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC1CCCCC1 ZINC001484741975 1263485652 /nfs/dbraw/zinc/48/56/52/1263485652.db2.gz LENSELLPXYQVKY-HUUCEWRRSA-N 0 3 354.451 0.881 10 5 FCBEHN Cc1nc(C)c(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001316957873 1263495075 /nfs/dbraw/zinc/49/50/75/1263495075.db2.gz IIOKALMYOYZHQA-HUUCEWRRSA-N 0 3 365.434 0.581 10 5 FCBEHN CN1CC[C@@](O)(CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC001556106434 1268814571 /nfs/dbraw/zinc/81/45/71/1268814571.db2.gz MSKGWTXMHSNNBT-MRXNPFEDSA-N 0 3 360.374 0.031 10 5 FCBEHN CC(C)(C)CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713281450 1287272738 /nfs/dbraw/zinc/27/27/38/1287272738.db2.gz FCRVNUBKUHIZAJ-VVSAWPALSA-N 0 3 352.435 0.250 10 5 FCBEHN CN(C(=O)CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1nccs1 ZINC001716681962 1287384830 /nfs/dbraw/zinc/38/48/30/1287384830.db2.gz ZNIVNPAZJYDXIA-NXEZZACHSA-N 0 3 353.404 0.010 10 5 FCBEHN O=Cc1ccc(OCC(=O)N[C@H](CO)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001638118434 1282659724 /nfs/dbraw/zinc/65/97/24/1282659724.db2.gz JDSQQNBOUZCZQO-ZDUSSCGKSA-N 0 3 351.359 0.359 10 5 FCBEHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001641851622 1282975865 /nfs/dbraw/zinc/97/58/65/1282975865.db2.gz UQIRRKKLLSODMP-UHFFFAOYSA-N 0 3 352.391 0.085 10 5 FCBEHN CN(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001703935170 1286164099 /nfs/dbraw/zinc/16/40/99/1286164099.db2.gz WWMGUBXQGZHRGX-QKPAOTATSA-N 0 3 360.414 0.547 10 5 FCBEHN CN1CCC(CCO)(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC001598428445 1286392444 /nfs/dbraw/zinc/39/24/44/1286392444.db2.gz OYICWPYMRJZHRH-UHFFFAOYSA-N 0 3 374.401 0.752 10 5 FCBEHN COc1ccc(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001725016978 1288458883 /nfs/dbraw/zinc/45/88/83/1288458883.db2.gz HZGROVNBVVBMNW-ZIAGYGMSSA-N 0 3 364.402 0.199 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC001618658740 1289927135 /nfs/dbraw/zinc/92/71/35/1289927135.db2.gz RYVNAISFQBDPFC-QGZVFWFLSA-N 0 3 359.386 0.695 10 5 FCBEHN COC(=O)C1CCN(CCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627173012 1290442671 /nfs/dbraw/zinc/44/26/71/1290442671.db2.gz HKDGKWMJVLNTEO-UHFFFAOYSA-N 0 3 373.797 0.976 10 5 FCBEHN CN(C)Cc1ccsc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001747783417 1290588675 /nfs/dbraw/zinc/58/86/75/1290588675.db2.gz UCEWEIJQHJZYMK-VXGBXAGGSA-N 0 3 366.443 0.854 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001653333261 1291336202 /nfs/dbraw/zinc/33/62/02/1291336202.db2.gz MPKBPQOTFFKCKI-STQMWFEESA-N 0 3 351.407 0.942 10 5 FCBEHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](CN(C)C)C1 ZINC000182895051 209139557 /nfs/dbraw/zinc/13/95/57/209139557.db2.gz SJMVPLFMQYPZNO-LLVKDONJSA-N 0 3 361.395 0.993 10 5 FCBEHN COc1cc(OCC(=O)NC[C@@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000452390206 249316544 /nfs/dbraw/zinc/31/65/44/249316544.db2.gz NUIBFQPFLNVUNY-ZDUSSCGKSA-N 0 3 367.402 0.945 10 5 FCBEHN CN1CCC[C@@H](N2CCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000301292434 488878376 /nfs/dbraw/zinc/87/83/76/488878376.db2.gz NYNDIKRPGDWQCT-CQSZACIVSA-N 0 3 372.429 0.819 10 5 FCBEHN CN(C)C(=O)CN1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000047090920 488013342 /nfs/dbraw/zinc/01/33/42/488013342.db2.gz YXUPSTUOYXRKON-UHFFFAOYSA-N 0 3 374.401 0.707 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)CN3CCOCC3)C2)nc1 ZINC000122269052 488576893 /nfs/dbraw/zinc/57/68/93/488576893.db2.gz GWWJKMRMOXSRKH-DZGCQCFKSA-N 0 3 351.407 0.169 10 5 FCBEHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000563158391 491223217 /nfs/dbraw/zinc/22/32/17/491223217.db2.gz MHAXYOROQNUBHV-LBPRGKRZSA-N 0 3 368.415 0.226 10 5 FCBEHN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(CCn2cccn2)CC1 ZINC000171934528 488828919 /nfs/dbraw/zinc/82/89/19/488828919.db2.gz TUMHVIRZZMQZGF-UHFFFAOYSA-N 0 3 361.406 0.611 10 5 FCBEHN CN1CCN(C(=O)CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174855511 488851510 /nfs/dbraw/zinc/85/15/10/488851510.db2.gz GZPIQUQSESYOSX-UHFFFAOYSA-N 0 3 364.450 0.667 10 5 FCBEHN O=c1nc(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH][n-]1 ZINC000280927353 489041698 /nfs/dbraw/zinc/04/16/98/489041698.db2.gz GUGFUTWOHCXMQL-CYBMUJFWSA-N 0 3 363.374 0.626 10 5 FCBEHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000535024757 490440427 /nfs/dbraw/zinc/44/04/27/490440427.db2.gz WWYWSEJXNRZGPI-UHFFFAOYSA-N 0 3 355.395 0.674 10 5 FCBEHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNc1ccncc1 ZINC000488532849 490763895 /nfs/dbraw/zinc/76/38/95/490763895.db2.gz OGIDJYXLCUYMTK-CYBMUJFWSA-N 0 3 361.406 0.872 10 5 FCBEHN NC1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000516182836 490855059 /nfs/dbraw/zinc/85/50/59/490855059.db2.gz RRRIUAGLOSNMPS-UHFFFAOYSA-N 0 3 368.415 0.309 10 5 FCBEHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743068 491647612 /nfs/dbraw/zinc/64/76/12/491647612.db2.gz DOUGKYFDXPITNZ-NEPJUHHUSA-N 0 3 358.416 0.890 10 5 FCBEHN CN1C[C@@H]2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442697 491776656 /nfs/dbraw/zinc/77/66/56/491776656.db2.gz ADZXFORLQOPHFK-DZGCQCFKSA-N 0 3 361.402 0.557 10 5 FCBEHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590565001 491779515 /nfs/dbraw/zinc/77/95/15/491779515.db2.gz IJUUUKQOZGPDOK-UONOGXRCSA-N 0 3 350.375 0.078 10 5 FCBEHN CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)(N2CCOCC2)CC1 ZINC000581712829 491783538 /nfs/dbraw/zinc/78/35/38/491783538.db2.gz FZCRXIUQUXSVPE-UHFFFAOYSA-N 0 3 363.418 0.516 10 5 FCBEHN COc1cc(CNC[C@]2(OCCO)CCOC2)c([N+](=O)[O-])cc1OC ZINC000594973544 491873959 /nfs/dbraw/zinc/87/39/59/491873959.db2.gz FNSNGJIJDWEMPZ-MRXNPFEDSA-N 0 3 356.375 0.870 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000600693725 491876339 /nfs/dbraw/zinc/87/63/39/491876339.db2.gz HEGPNKHYADEINC-LBPRGKRZSA-N 0 3 350.375 0.544 10 5 FCBEHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000595885413 491959032 /nfs/dbraw/zinc/95/90/32/491959032.db2.gz NLWVUMWEGJEPME-MRXNPFEDSA-N 0 3 360.414 0.874 10 5 FCBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)n1 ZINC000595912256 491961009 /nfs/dbraw/zinc/96/10/09/491961009.db2.gz XVKOZPALEJISAL-AWEZNQCLSA-N 0 3 374.449 0.804 10 5 FCBEHN N[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595987911 491969606 /nfs/dbraw/zinc/96/96/06/491969606.db2.gz CXTYTBRDAOMEBY-CHWSQXEVSA-N 0 3 374.394 0.161 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597989190 492076348 /nfs/dbraw/zinc/07/63/48/492076348.db2.gz CPULTEKHBCWATH-AWEZNQCLSA-N 0 3 360.374 0.069 10 5 FCBEHN COCCN1CCC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592060 492105934 /nfs/dbraw/zinc/10/59/34/492105934.db2.gz DMLCKKROBGWFET-CYBMUJFWSA-N 0 3 366.422 0.744 10 5 FCBEHN COC(=O)COc1ccc(CNC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599004974 492130033 /nfs/dbraw/zinc/13/00/33/492130033.db2.gz XTXUIXRPAAKOHT-CYBMUJFWSA-N 0 3 353.375 0.567 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)n1 ZINC000617405666 492166722 /nfs/dbraw/zinc/16/67/22/492166722.db2.gz MRXYOJABBISIGD-LBPRGKRZSA-N 0 3 350.423 0.710 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)n1 ZINC000617405665 492166734 /nfs/dbraw/zinc/16/67/34/492166734.db2.gz MRXYOJABBISIGD-GFCCVEGCSA-N 0 3 350.423 0.710 10 5 FCBEHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(N2CCCOCC2)CC1 ZINC000600007069 492228326 /nfs/dbraw/zinc/22/83/26/492228326.db2.gz OMESDYZGIWUWFD-UHFFFAOYSA-N 0 3 351.407 0.895 10 5 FCBEHN CN(CC(=O)N[C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988428 492230246 /nfs/dbraw/zinc/23/02/46/492230246.db2.gz IVYYLJGUGWUBRC-GFCCVEGCSA-N 0 3 370.431 0.426 10 5 FCBEHN CN(C)CCN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1=O ZINC000593485624 546709424 /nfs/dbraw/zinc/70/94/24/546709424.db2.gz AEJIACIOJBKIHR-UHFFFAOYSA-N 0 3 350.404 0.810 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592083220 546944359 /nfs/dbraw/zinc/94/43/59/546944359.db2.gz SAPGHLOVJSHCCJ-GFCCVEGCSA-N 0 3 370.431 0.476 10 5 FCBEHN CN1CCC2(CC1)CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000592898617 546960218 /nfs/dbraw/zinc/96/02/18/546960218.db2.gz KEAXNAKVOGEPMF-UHFFFAOYSA-N 0 3 350.375 0.080 10 5 FCBEHN CC(C)c1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872877 546960432 /nfs/dbraw/zinc/96/04/32/546960432.db2.gz MMVAMPAOFOXAFM-SNVBAGLBSA-N 0 3 352.395 0.633 10 5 FCBEHN CC(C)c1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872877 546960439 /nfs/dbraw/zinc/96/04/39/546960439.db2.gz MMVAMPAOFOXAFM-SNVBAGLBSA-N 0 3 352.395 0.633 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027869 546995856 /nfs/dbraw/zinc/99/58/56/546995856.db2.gz SZTMHGDSPZNVKO-QWHCGFSZSA-N 0 3 350.375 0.293 10 5 FCBEHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594219296 546996789 /nfs/dbraw/zinc/99/67/89/546996789.db2.gz AUDVDFSJUXDTME-UONOGXRCSA-N 0 3 350.375 0.434 10 5 FCBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594531441 547000957 /nfs/dbraw/zinc/00/09/57/547000957.db2.gz ATTZXYHLTQRMOX-JTQLQIEISA-N 0 3 364.280 0.938 10 5 FCBEHN CN(CCO)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000925001617 664956500 /nfs/dbraw/zinc/95/65/00/664956500.db2.gz GQYWERRIUUMLAD-UHFFFAOYSA-N 0 3 360.208 0.940 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000846365650 671105073 /nfs/dbraw/zinc/10/50/73/671105073.db2.gz WDDHTTOJXIUCOY-UHFFFAOYSA-N 0 3 353.354 0.162 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000869131603 672423929 /nfs/dbraw/zinc/42/39/29/672423929.db2.gz NLYLQBXEVSLTFZ-UHFFFAOYSA-N 0 3 352.366 0.509 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000592872295 1196585350 /nfs/dbraw/zinc/58/53/50/1196585350.db2.gz LOOIAHTWFRYMSY-SNVBAGLBSA-N 0 3 370.356 0.994 10 5 FCBEHN COc1ccc(CC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592873634 1196586261 /nfs/dbraw/zinc/58/62/61/1196586261.db2.gz POCSBTIGDDFWIS-GFCCVEGCSA-N 0 3 364.402 0.724 10 5 FCBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCN(C)C)C(=O)C1 ZINC000593052717 1196605901 /nfs/dbraw/zinc/60/59/01/1196605901.db2.gz VCMOFFCGQZUTMU-ZDUSSCGKSA-N 0 3 363.418 0.628 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592523754 1196652535 /nfs/dbraw/zinc/65/25/35/1196652535.db2.gz APZYPXDLBZOVHC-LBPRGKRZSA-N 0 3 364.402 0.918 10 5 FCBEHN CN(C)CCN1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1=O ZINC000593485729 1196791848 /nfs/dbraw/zinc/79/18/48/1196791848.db2.gz BRMPGGYZNRZFMX-UHFFFAOYSA-N 0 3 360.374 0.454 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027350 1196847381 /nfs/dbraw/zinc/84/73/81/1196847381.db2.gz NIABQOREODGZTO-KWCYVHTRSA-N 0 3 364.402 0.681 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1=O ZINC000844759755 1204434095 /nfs/dbraw/zinc/43/40/95/1204434095.db2.gz RYAWXANJYBCHLE-UHFFFAOYSA-N 0 3 365.346 0.349 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001144579399 1204550827 /nfs/dbraw/zinc/55/08/27/1204550827.db2.gz KUHFFEUNESYVRU-UHFFFAOYSA-N 0 3 363.418 0.803 10 5 FCBEHN NS(=O)(=O)C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473850959 1261502772 /nfs/dbraw/zinc/50/27/72/1261502772.db2.gz VTZCOMHHYLTZHD-SNVBAGLBSA-N 0 3 374.394 0.673 10 5 FCBEHN Cc1conc1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001479920733 1263415659 /nfs/dbraw/zinc/41/56/59/1263415659.db2.gz WUBJJSQFVFDXTG-UKRRQHHQSA-N 0 3 351.407 0.272 10 5 FCBEHN Cc1nccn1CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001334051017 1266794803 /nfs/dbraw/zinc/79/48/03/1266794803.db2.gz QJCWJVMLMIOFDL-CHWSQXEVSA-N 0 3 351.407 0.458 10 5 FCBEHN O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC(N[C@@H]2CCOC2)C1 ZINC001558552381 1269109899 /nfs/dbraw/zinc/10/98/99/1269109899.db2.gz XPYUVGAMCQRBRR-LLVKDONJSA-N 0 3 363.370 0.959 10 5 FCBEHN CC(C)N1CCN(C2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC001341685852 1269151821 /nfs/dbraw/zinc/15/18/21/1269151821.db2.gz TVTFTJMRAWIOJQ-UHFFFAOYSA-N 0 3 364.450 0.959 10 5 FCBEHN O=C(NCC1(NCc2noc3c2COCC3)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001714493019 1287323107 /nfs/dbraw/zinc/32/31/07/1287323107.db2.gz DQUNULIGLNLSCA-BXUZGUMPSA-N 0 3 364.402 0.931 10 5 FCBEHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993638 1282128651 /nfs/dbraw/zinc/12/86/51/1282128651.db2.gz DRTHWWAFWQJOGJ-ZIAGYGMSSA-N 0 3 372.385 0.769 10 5 FCBEHN CN1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001633496341 1282247465 /nfs/dbraw/zinc/24/74/65/1282247465.db2.gz BWRAHBSEMDXWOO-INIZCTEOSA-N 0 3 351.359 0.553 10 5 FCBEHN CCc1n[nH]c(C(=O)NCC(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC001636609267 1282523412 /nfs/dbraw/zinc/52/34/12/1282523412.db2.gz LJVYGFPHKYDZNU-UHFFFAOYSA-N 0 3 352.395 0.212 10 5 FCBEHN O=Cc1ccc(OCC(=O)N[C@@H](CO)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001638118433 1282659535 /nfs/dbraw/zinc/65/95/35/1282659535.db2.gz JDSQQNBOUZCZQO-CYBMUJFWSA-N 0 3 351.359 0.359 10 5 FCBEHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn2cncc2c1 ZINC001704374758 1286237254 /nfs/dbraw/zinc/23/72/54/1286237254.db2.gz JCRGENDHNDSKBF-HUUCEWRRSA-N 0 3 359.386 0.968 10 5 FCBEHN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564205 1290000531 /nfs/dbraw/zinc/00/05/31/1290000531.db2.gz CXZQUNUUHREBIL-YCPHGPKFSA-N 0 3 365.434 0.923 10 5 FCBEHN COCCN(C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C)CC1=O ZINC001651161188 1291199844 /nfs/dbraw/zinc/19/98/44/1291199844.db2.gz UCEOUJWKYUQKGN-ZDUSSCGKSA-N 0 3 351.407 0.889 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2CS(=O)(=O)C2)cc1 ZINC001348972594 872839529 /nfs/dbraw/zinc/83/95/29/872839529.db2.gz KTSMFUPJTCJXCO-UHFFFAOYSA-N 0 3 362.429 0.393 10 5 FCBEHN CCN1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000293888945 214208793 /nfs/dbraw/zinc/20/87/93/214208793.db2.gz LNIDZFAVTLUVQG-UONOGXRCSA-N 0 3 351.407 0.811 10 5 FCBEHN CS(=O)(=O)N1CC[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000366998835 216060931 /nfs/dbraw/zinc/06/09/31/216060931.db2.gz YGMCRPWBYZCTMM-GFCCVEGCSA-N 0 3 357.436 0.710 10 5 FCBEHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000182895076 209138675 /nfs/dbraw/zinc/13/86/75/209138675.db2.gz SJMVPLFMQYPZNO-NSHDSACASA-N 0 3 361.395 0.993 10 5 FCBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1ccncc1 ZINC000440042782 248153017 /nfs/dbraw/zinc/15/30/17/248153017.db2.gz KQVBGMZZEDPFQY-UHFFFAOYSA-N 0 3 373.369 0.977 10 5 FCBEHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1CCO ZINC000452387376 249314679 /nfs/dbraw/zinc/31/46/79/249314679.db2.gz HDCOSQGIEUDZGA-HNNXBMFYSA-N 0 3 364.402 0.288 10 5 FCBEHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000178583556 209051867 /nfs/dbraw/zinc/05/18/67/209051867.db2.gz SEPVTCAFUYSFEP-INIZCTEOSA-N 0 3 359.386 0.327 10 5 FCBEHN NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000301948468 488886320 /nfs/dbraw/zinc/88/63/20/488886320.db2.gz HYGPUCHVODUXTH-OAHLLOKOSA-N 0 3 361.402 0.612 10 5 FCBEHN COCCN1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069527816 488373200 /nfs/dbraw/zinc/37/32/00/488373200.db2.gz TVBCXXNOQZJYIF-OAHLLOKOSA-N 0 3 364.402 0.552 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)n1 ZINC000191813456 488421259 /nfs/dbraw/zinc/42/12/59/488421259.db2.gz VVDALQVMPWHUKW-CYBMUJFWSA-N 0 3 352.439 0.815 10 5 FCBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000246856010 488477000 /nfs/dbraw/zinc/47/70/00/488477000.db2.gz FHXZEYIVTWCGEK-HZPDHXFCSA-N 0 3 351.403 0.741 10 5 FCBEHN Cn1cc([C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891139 491201570 /nfs/dbraw/zinc/20/15/70/491201570.db2.gz RQLPISDLPMPQHZ-HUUCEWRRSA-N 0 3 364.406 0.379 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000248442154 488496017 /nfs/dbraw/zinc/49/60/17/488496017.db2.gz DXPOITMGIXOWJT-HUUCEWRRSA-N 0 3 351.403 0.741 10 5 FCBEHN COC[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000261614221 488527599 /nfs/dbraw/zinc/52/75/99/488527599.db2.gz FDBSVYXQSOUWEG-CQSZACIVSA-N 0 3 359.404 0.650 10 5 FCBEHN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755122 488590626 /nfs/dbraw/zinc/59/06/26/488590626.db2.gz HQNFHTIVWABKNQ-VHSXEESVSA-N 0 3 357.388 0.642 10 5 FCBEHN O=C(CCN1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000366118900 489147376 /nfs/dbraw/zinc/14/73/76/489147376.db2.gz AZYUCQGEYPIGND-INIZCTEOSA-N 0 3 361.358 0.597 10 5 FCBEHN CN1CCN(CC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000299125580 489408794 /nfs/dbraw/zinc/40/87/94/489408794.db2.gz BJIRRAQKKRSEAO-UHFFFAOYSA-N 0 3 362.434 0.553 10 5 FCBEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290086 489566838 /nfs/dbraw/zinc/56/68/38/489566838.db2.gz VBGNPVJWDZLVIZ-FPMFFAJLSA-N 0 3 356.379 0.195 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429353627 489683349 /nfs/dbraw/zinc/68/33/49/489683349.db2.gz ZHLCVSHEFCNPPA-HNNXBMFYSA-N 0 3 374.401 0.594 10 5 FCBEHN CN1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000520353127 490135792 /nfs/dbraw/zinc/13/57/92/490135792.db2.gz BBAMDENFVYMMNM-ZDUSSCGKSA-N 0 3 370.431 0.474 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1ccncc1 ZINC000533814463 490286932 /nfs/dbraw/zinc/28/69/32/490286932.db2.gz JDZHMJVWQOSVER-UHFFFAOYSA-N 0 3 359.342 0.587 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536432556 490578113 /nfs/dbraw/zinc/57/81/13/490578113.db2.gz FTHIJHSIMUWAKY-LSDHHAIUSA-N 0 3 374.401 0.186 10 5 FCBEHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743073 491647576 /nfs/dbraw/zinc/64/75/76/491647576.db2.gz DOUGKYFDXPITNZ-RYUDHWBXSA-N 0 3 358.416 0.890 10 5 FCBEHN CN1C[C@H]2[C@@H](CCN2C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000590445007 491777041 /nfs/dbraw/zinc/77/70/41/491777041.db2.gz PJUVNJYQMAZZQY-FZMZJTMJSA-N 0 3 360.370 0.483 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591945019 491825709 /nfs/dbraw/zinc/82/57/09/491825709.db2.gz SEHKUKQNMJUKBP-CYBMUJFWSA-N 0 3 363.418 0.899 10 5 FCBEHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595385234 491926894 /nfs/dbraw/zinc/92/68/94/491926894.db2.gz WXEQYRPPQDLNTB-LBPRGKRZSA-N 0 3 373.406 0.954 10 5 FCBEHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595660876 491947164 /nfs/dbraw/zinc/94/71/64/491947164.db2.gz GXGOGIBUSPHUTA-XHDPSFHLSA-N 0 3 367.358 0.852 10 5 FCBEHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000595885406 491958870 /nfs/dbraw/zinc/95/88/70/491958870.db2.gz NLWVUMWEGJEPME-INIZCTEOSA-N 0 3 360.414 0.874 10 5 FCBEHN COC(=O)COc1ccc(CNCCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000616094563 492116888 /nfs/dbraw/zinc/11/68/88/492116888.db2.gz DLPVABBJVYSFCU-UHFFFAOYSA-N 0 3 372.399 0.671 10 5 FCBEHN CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CN2CCC1CC2 ZINC000609532467 492211739 /nfs/dbraw/zinc/21/17/39/492211739.db2.gz CUVJLILVLFRWSH-OAHLLOKOSA-N 0 3 374.397 0.873 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592877913 546959801 /nfs/dbraw/zinc/95/98/01/546959801.db2.gz AVNBMXVDBCGWPG-NSHDSACASA-N 0 3 352.395 0.068 10 5 FCBEHN CC(C)c1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872876 546960055 /nfs/dbraw/zinc/96/00/55/546960055.db2.gz MMVAMPAOFOXAFM-JTQLQIEISA-N 0 3 352.395 0.633 10 5 FCBEHN CC(C)c1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872876 546960059 /nfs/dbraw/zinc/96/00/59/546960059.db2.gz MMVAMPAOFOXAFM-JTQLQIEISA-N 0 3 352.395 0.633 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593623325 546984938 /nfs/dbraw/zinc/98/49/38/546984938.db2.gz ZZSAWLCZHDTWLX-UHFFFAOYSA-N 0 3 370.431 0.130 10 5 FCBEHN COC(=O)COc1ccc(CNCC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670202 546988126 /nfs/dbraw/zinc/98/81/26/546988126.db2.gz GCWCWFRQLPPTKW-MRXNPFEDSA-N 0 3 354.359 0.778 10 5 FCBEHN COC(=O)COc1ccc(CNCC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670200 546988194 /nfs/dbraw/zinc/98/81/94/546988194.db2.gz GCWCWFRQLPPTKW-INIZCTEOSA-N 0 3 354.359 0.778 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1=O ZINC000593784678 546991870 /nfs/dbraw/zinc/99/18/70/546991870.db2.gz USSHLCKONPKEQF-UHFFFAOYSA-N 0 3 353.354 0.162 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592870793 1196585812 /nfs/dbraw/zinc/58/58/12/1196585812.db2.gz FTUYJPIAVSIGJF-CYBMUJFWSA-N 0 3 363.418 0.609 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000592873643 1196586241 /nfs/dbraw/zinc/58/62/41/1196586241.db2.gz PTZPAYSVYXVISM-JTQLQIEISA-N 0 3 364.358 0.516 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593182210 1196759701 /nfs/dbraw/zinc/75/97/01/1196759701.db2.gz AYTBDKQDNBBGKA-UHFFFAOYSA-N 0 3 365.390 0.841 10 5 FCBEHN CN(C)CCN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593384164 1196778474 /nfs/dbraw/zinc/77/84/74/1196778474.db2.gz NCAJQOHTNRZZNL-UHFFFAOYSA-N 0 3 363.418 0.553 10 5 FCBEHN Cc1nccn1CC(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001489012329 1208606517 /nfs/dbraw/zinc/60/65/17/1208606517.db2.gz WIMRUZGMZQRLIW-HUUCEWRRSA-N 0 3 361.402 0.522 10 5 FCBEHN Cc1ccc(CNC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000869054030 1210081611 /nfs/dbraw/zinc/08/16/11/1210081611.db2.gz DVGWBRYGIFKKEM-UHFFFAOYSA-N 0 3 363.418 0.819 10 5 FCBEHN C[C@H]1[C@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001479379571 1263188928 /nfs/dbraw/zinc/18/89/28/1263188928.db2.gz YKFAFQRWLXMCHL-CJYSPXJISA-N 0 3 352.391 0.381 10 5 FCBEHN Cc1ccc(NC(=O)CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001321057577 1263900986 /nfs/dbraw/zinc/90/09/86/1263900986.db2.gz QCZOWAOGGBDKKZ-FKZRYSJHSA-N 0 3 364.377 1.000 10 5 FCBEHN O=C(CCc1c[nH]cn1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512544807 1264629484 /nfs/dbraw/zinc/62/94/84/1264629484.db2.gz ZGEUCQYQDMGBEH-HUUCEWRRSA-N 0 3 361.402 0.673 10 5 FCBEHN Cc1nccn1CC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001531829990 1267151789 /nfs/dbraw/zinc/15/17/89/1267151789.db2.gz VRKJSFVHUPALRO-HUUCEWRRSA-N 0 3 363.418 0.602 10 5 FCBEHN O=C(CCc1c[nH]cn1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001334773575 1267171008 /nfs/dbraw/zinc/17/10/08/1267171008.db2.gz IUJKTVMTEAIBDZ-ZIAGYGMSSA-N 0 3 363.418 0.943 10 5 FCBEHN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@@]12CCN(C1)CCC2 ZINC001535854608 1267310599 /nfs/dbraw/zinc/31/05/99/1267310599.db2.gz DDOQXAIKPRZBDW-KRWDZBQOSA-N 0 3 358.354 0.545 10 5 FCBEHN CC(C)N1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001567356114 1269691288 /nfs/dbraw/zinc/69/12/88/1269691288.db2.gz NIYBQYQRTCNOIL-LBPRGKRZSA-N 0 3 370.431 0.845 10 5 FCBEHN CN(CC(C)(C)CNC(=O)CCc1nnc[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718124329 1287460485 /nfs/dbraw/zinc/46/04/85/1287460485.db2.gz JQKAFUBAYDZIAM-GHMZBOCLSA-N 0 3 352.395 0.003 10 5 FCBEHN Cc1cnc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001731358013 1288553108 /nfs/dbraw/zinc/55/31/08/1288553108.db2.gz QHJLLPZPFNEWQZ-HZPDHXFCSA-N 0 3 362.434 0.074 10 5 FCBEHN CC(C)NC(=O)NCCN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001732402495 1288583660 /nfs/dbraw/zinc/58/36/60/1288583660.db2.gz LAVWCBXJJPCAGX-ZIAGYGMSSA-N 0 3 367.450 0.284 10 5 FCBEHN CN(C(=O)CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1nccs1 ZINC001732849881 1288595521 /nfs/dbraw/zinc/59/55/21/1288595521.db2.gz FQQXZIWNVLNKJN-LVUHIJSRSA-N 0 3 353.404 0.033 10 5 FCBEHN CN(CC(=O)Nc1nncs1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700692569 1289601456 /nfs/dbraw/zinc/60/14/56/1289601456.db2.gz IYVRONDKHVNFBR-GHMZBOCLSA-N 0 3 368.419 0.065 10 5 FCBEHN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564204 1290001758 /nfs/dbraw/zinc/00/17/58/1290001758.db2.gz CXZQUNUUHREBIL-IJEWVQPXSA-N 0 3 365.434 0.923 10 5 FCBEHN CN(CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CCOCCO ZINC001650939147 1291186599 /nfs/dbraw/zinc/18/65/99/1291186599.db2.gz HHRLWJGYUIFXFI-UHFFFAOYSA-N 0 3 369.374 0.037 10 5 FCBEHN COCCCNC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001652329539 1291275094 /nfs/dbraw/zinc/27/50/94/1291275094.db2.gz QTKGZLFGJIKWBN-UHFFFAOYSA-N 0 3 353.423 0.964 10 5 FCBEHN CN(CC1CC1)C(=O)CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001270225658 859690964 /nfs/dbraw/zinc/69/09/64/859690964.db2.gz LSRHKSWHEHEXMT-ZIAGYGMSSA-N 0 3 352.435 0.491 10 5 FCBEHN Cn1c(Cl)cnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001325003695 869744349 /nfs/dbraw/zinc/74/43/49/869744349.db2.gz WQXYGUWNWGDCHQ-GHMZBOCLSA-N 0 3 371.825 0.494 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000419326433 246101841 /nfs/dbraw/zinc/10/18/41/246101841.db2.gz CGIWJDCRCVTPSY-QLFBSQMISA-N 0 3 353.419 0.721 10 5 FCBEHN C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423976374 247155331 /nfs/dbraw/zinc/15/53/31/247155331.db2.gz QVGFVPKLULTVNW-IAQYHMDHSA-N 0 3 370.431 0.316 10 5 FCBEHN Cc1nn(CCC(=O)NC[C@@H]2CCCCN2CCO)c(C)c1[N+](=O)[O-] ZINC000452397044 249316306 /nfs/dbraw/zinc/31/63/06/249316306.db2.gz ZBSAPGNHZHCTKF-AWEZNQCLSA-N 0 3 353.423 0.761 10 5 FCBEHN O=C1NC(=O)[C@]2(CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060437 488914174 /nfs/dbraw/zinc/91/41/74/488914174.db2.gz LMOASAALNDUNPA-MLGOLLRUSA-N 0 3 364.358 0.009 10 5 FCBEHN CCC[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262255264 488559548 /nfs/dbraw/zinc/55/95/48/488559548.db2.gz DYDLXPDNFMSKCE-LLVKDONJSA-N 0 3 358.420 0.654 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000273048864 488627844 /nfs/dbraw/zinc/62/78/44/488627844.db2.gz FDZSJDGKQYEWKT-AWEZNQCLSA-N 0 3 359.386 0.825 10 5 FCBEHN O=C(NC[C@@H](O)CN1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000160325894 488790356 /nfs/dbraw/zinc/79/03/56/488790356.db2.gz DFKWTJKLTUEXEE-OAHLLOKOSA-N 0 3 374.401 0.752 10 5 FCBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000173938218 488846560 /nfs/dbraw/zinc/84/65/60/488846560.db2.gz FHXZEYIVTWCGEK-JKSUJKDBSA-N 0 3 351.403 0.741 10 5 FCBEHN O=c1nc(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)[nH][n-]1 ZINC000281045738 489049160 /nfs/dbraw/zinc/04/91/60/489049160.db2.gz QHYRSKDEDBHEHY-GFCCVEGCSA-N 0 3 363.374 0.626 10 5 FCBEHN COC(=O)[C@]12CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000369547607 489251443 /nfs/dbraw/zinc/25/14/43/489251443.db2.gz BSRZZQLLFIDJJO-SUMWQHHRSA-N 0 3 363.370 0.705 10 5 FCBEHN CNC(=O)CN1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363132794 489428506 /nfs/dbraw/zinc/42/85/06/489428506.db2.gz HNUDMKAGMWUYQB-UHFFFAOYSA-N 0 3 363.418 0.677 10 5 FCBEHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617821 491258907 /nfs/dbraw/zinc/25/89/07/491258907.db2.gz HLSKTNONQYEIPY-CABCVRRESA-N 0 3 360.374 0.332 10 5 FCBEHN CCN1C(=O)N=NC1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000371289736 489474240 /nfs/dbraw/zinc/47/42/40/489474240.db2.gz OTQWWSDILAKBHI-ZDUSSCGKSA-N 0 3 365.394 0.349 10 5 FCBEHN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415869453 489562197 /nfs/dbraw/zinc/56/21/97/489562197.db2.gz RALDSDTXOPBQGP-LBPRGKRZSA-N 0 3 364.402 0.935 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)[C@H](C)C1 ZINC000426456150 489568365 /nfs/dbraw/zinc/56/83/65/489568365.db2.gz FDROEWPKHZOIMS-CYBMUJFWSA-N 0 3 366.418 0.930 10 5 FCBEHN COC(=O)COc1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000474347379 489755902 /nfs/dbraw/zinc/75/59/02/489755902.db2.gz FNPYVAATTHYNOM-GFCCVEGCSA-N 0 3 351.359 0.857 10 5 FCBEHN CC1(C)NC(=O)CC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494915707 489920006 /nfs/dbraw/zinc/92/00/06/489920006.db2.gz PSBSPSODGABBJZ-CYBMUJFWSA-N 0 3 370.431 0.520 10 5 FCBEHN CC(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCCN(C)C ZINC000534786009 490408834 /nfs/dbraw/zinc/40/88/34/490408834.db2.gz PAYXDASUXNFXSH-ZDUSSCGKSA-N 0 3 354.411 0.000 10 5 FCBEHN COC(=O)c1cc(C)nc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450601998 490478019 /nfs/dbraw/zinc/47/80/19/490478019.db2.gz ZHHBCJWJBHOHLX-GFCCVEGCSA-N 0 3 352.391 1.344 10 5 FCBEHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000564857209 491331816 /nfs/dbraw/zinc/33/18/16/491331816.db2.gz ZBRYZHYFYPZYKB-HZPDHXFCSA-N 0 3 359.386 0.937 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423036820 490526494 /nfs/dbraw/zinc/52/64/94/490526494.db2.gz LQZXYXPBXGVIAF-HOTGVXAUSA-N 0 3 369.443 0.725 10 5 FCBEHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000487091264 490692124 /nfs/dbraw/zinc/69/21/24/490692124.db2.gz HOKUVVMWEUELRV-DOMZBBRYSA-N 0 3 362.434 0.551 10 5 FCBEHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@H]1N1CCN(C)CC1 ZINC000487091268 490692229 /nfs/dbraw/zinc/69/22/29/490692229.db2.gz HOKUVVMWEUELRV-SWLSCSKDSA-N 0 3 362.434 0.551 10 5 FCBEHN CC(C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000541924609 490878794 /nfs/dbraw/zinc/87/87/94/490878794.db2.gz HLFHEJAOKUOUDL-ZDUSSCGKSA-N 0 3 366.422 0.626 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000542912854 490915497 /nfs/dbraw/zinc/91/54/97/490915497.db2.gz WTFCNGXITXBBBC-AWEZNQCLSA-N 0 3 360.374 0.069 10 5 FCBEHN O=C(CCOC1CNC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000566098334 491417188 /nfs/dbraw/zinc/41/71/88/491417188.db2.gz DHQPAVZALVWFOC-UHFFFAOYSA-N 0 3 362.386 0.258 10 5 FCBEHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000584470680 491595010 /nfs/dbraw/zinc/59/50/10/491595010.db2.gz CTAVEQGWXSCBJI-GFCCVEGCSA-N 0 3 371.344 0.507 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000590562482 491779581 /nfs/dbraw/zinc/77/95/81/491779581.db2.gz LVHWDZIMOFUVOV-ZIAGYGMSSA-N 0 3 351.407 0.811 10 5 FCBEHN CCOC(=O)c1ccnc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000591984320 491826806 /nfs/dbraw/zinc/82/68/06/491826806.db2.gz DNIAHSUSYJZSJG-NSHDSACASA-N 0 3 365.390 0.723 10 5 FCBEHN CC[C@H](Cn1cncn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584282222 491862141 /nfs/dbraw/zinc/86/21/41/491862141.db2.gz RFZMMRPKFPVSIS-GFCCVEGCSA-N 0 3 368.419 0.533 10 5 FCBEHN N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1F ZINC000595260911 491908236 /nfs/dbraw/zinc/90/82/36/491908236.db2.gz NCCKDCJQBBPXGG-MXWKQRLJSA-N 0 3 354.338 0.690 10 5 FCBEHN CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C)C1 ZINC000597946582 492074682 /nfs/dbraw/zinc/07/46/82/492074682.db2.gz PVUWQFZHXUEWKV-CYBMUJFWSA-N 0 3 362.386 0.873 10 5 FCBEHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598536275 492103627 /nfs/dbraw/zinc/10/36/27/492103627.db2.gz QLZSYODQYIQOLV-ZDUSSCGKSA-N 0 3 351.407 0.893 10 5 FCBEHN COC(=O)COc1ccc(CNCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000616092912 492116827 /nfs/dbraw/zinc/11/68/27/492116827.db2.gz SVVHBSPHZLBVNV-UHFFFAOYSA-N 0 3 350.335 0.002 10 5 FCBEHN COC(=O)COc1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991241 492129072 /nfs/dbraw/zinc/12/90/72/492129072.db2.gz XGGCSKJASIZRNO-DZGCQCFKSA-N 0 3 354.359 0.776 10 5 FCBEHN Cc1nn(CCC(=O)N2CCC[C@](O)(CN(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000618924465 492243491 /nfs/dbraw/zinc/24/34/91/492243491.db2.gz YOADNJPOAHDWJT-INIZCTEOSA-N 0 3 353.423 0.713 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592083249 546944480 /nfs/dbraw/zinc/94/44/80/546944480.db2.gz SNBDDXISBRRVGQ-LBPRGKRZSA-N 0 3 370.431 0.476 10 5 FCBEHN NC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450701 546998750 /nfs/dbraw/zinc/99/87/50/546998750.db2.gz RIAHDVOHFAGRAU-IONNQARKSA-N 0 3 364.280 0.798 10 5 FCBEHN COc1ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594532413 547000991 /nfs/dbraw/zinc/00/09/91/547000991.db2.gz RCVQPTITDCJTAP-VIFPVBQESA-N 0 3 350.253 0.548 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000828081807 669615393 /nfs/dbraw/zinc/61/53/93/669615393.db2.gz CDVJBCBWUYPJFH-SECBINFHSA-N 0 3 362.433 0.397 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869082026 672420992 /nfs/dbraw/zinc/42/09/92/672420992.db2.gz SQRMHIQSYREEKC-NSHDSACASA-N 0 3 352.366 0.855 10 5 FCBEHN COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000592872902 1196585673 /nfs/dbraw/zinc/58/56/73/1196585673.db2.gz MYIUGCGTDXOEBF-JTQLQIEISA-N 0 3 368.365 0.935 10 5 FCBEHN COc1ccc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593178016 1196759925 /nfs/dbraw/zinc/75/99/25/1196759925.db2.gz KPQULIRLTPPQFW-UHFFFAOYSA-N 0 3 365.390 0.841 10 5 FCBEHN COc1ccc(CC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593234082 1196765203 /nfs/dbraw/zinc/76/52/03/1196765203.db2.gz DHESLVUKNBFXOE-UHFFFAOYSA-N 0 3 364.402 0.378 10 5 FCBEHN CN(C)CCN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000593655513 1196811634 /nfs/dbraw/zinc/81/16/34/1196811634.db2.gz PIBHENYTTIRIKZ-UHFFFAOYSA-N 0 3 364.402 0.572 10 5 FCBEHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000816948890 1203083846 /nfs/dbraw/zinc/08/38/46/1203083846.db2.gz JIRGHOUIIZSWMG-SMDDNHRTSA-N 0 3 363.370 0.957 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000844042950 1203331284 /nfs/dbraw/zinc/33/12/84/1203331284.db2.gz YEZFWDXAIFBQLE-SNVBAGLBSA-N 0 3 365.346 0.695 10 5 FCBEHN NC(=O)Cc1cccc2c1CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001175276969 1206302627 /nfs/dbraw/zinc/30/26/27/1206302627.db2.gz NGXQDDJIXYRLMI-HNNXBMFYSA-N 0 3 359.386 0.238 10 5 FCBEHN CN1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(C)(C)C1 ZINC001472025894 1261426615 /nfs/dbraw/zinc/42/66/15/1261426615.db2.gz HYCOJSNLRZYFQK-GFCCVEGCSA-N 0 3 360.370 0.647 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001472258437 1261456004 /nfs/dbraw/zinc/45/60/04/1261456004.db2.gz GJOXIHNWCCZUDT-KBPBESRZSA-N 0 3 351.407 0.547 10 5 FCBEHN Cc1cncn1CC(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285159159 1261817782 /nfs/dbraw/zinc/81/77/82/1261817782.db2.gz CRQAKFYAEJHXBQ-HUUCEWRRSA-N 0 3 363.418 0.602 10 5 FCBEHN O=C(CCc1nnc[nH]1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288711834 1262030685 /nfs/dbraw/zinc/03/06/85/1262030685.db2.gz ZZSCGZKDWYTFHK-CHWSQXEVSA-N 0 3 362.390 0.068 10 5 FCBEHN O=C(NC[C@H]1CCCN1CCCO)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298329285 1262922502 /nfs/dbraw/zinc/92/25/02/1262922502.db2.gz YIAPZSRCTANHLI-CQSZACIVSA-N 0 3 374.401 0.752 10 5 FCBEHN CN(C)CCn1nccc1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425455 1263047797 /nfs/dbraw/zinc/04/77/97/1263047797.db2.gz QSPVFYVFSSSRLC-QGZVFWFLSA-N 0 3 361.402 0.990 10 5 FCBEHN CC(C)N(CCN(C)C(=O)CCN1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001511705768 1264578650 /nfs/dbraw/zinc/57/86/50/1264578650.db2.gz CMYZETKZXROWIB-HUUCEWRRSA-N 0 3 370.450 0.069 10 5 FCBEHN CCCc1n[nH]c(C(=O)N2CC(N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC001522288996 1266469919 /nfs/dbraw/zinc/46/99/19/1266469919.db2.gz KDIVSFQXEFDRHX-UHFFFAOYSA-N 0 3 350.423 0.732 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CC(N3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC001522288996 1266469923 /nfs/dbraw/zinc/46/99/23/1266469923.db2.gz KDIVSFQXEFDRHX-UHFFFAOYSA-N 0 3 350.423 0.732 10 5 FCBEHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@]12CCN(C1)CCC2 ZINC001532499424 1267174571 /nfs/dbraw/zinc/17/45/71/1267174571.db2.gz CNAHHQZVSFQPPZ-KRWDZBQOSA-N 0 3 358.354 0.545 10 5 FCBEHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OCCCNCc2cnon2)CC1 ZINC001570785977 1269914445 /nfs/dbraw/zinc/91/44/45/1269914445.db2.gz YSABQCSOJFOQIZ-ZIAGYGMSSA-N 0 3 353.379 0.222 10 5 FCBEHN O=C(NC1(CNCc2ncnn2CCF)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001570796675 1269914744 /nfs/dbraw/zinc/91/47/44/1269914744.db2.gz ZNXCKBLYLWHHGX-CHWSQXEVSA-N 0 3 368.413 0.822 10 5 FCBEHN CCCCNC(=O)CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001571059578 1269924998 /nfs/dbraw/zinc/92/49/98/1269924998.db2.gz OMGYKLBAJDUAJR-DTDBQYNISA-N 0 3 366.462 0.738 10 5 FCBEHN O=C(N[C@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001641852158 1282975435 /nfs/dbraw/zinc/97/54/35/1282975435.db2.gz BGIDAUSNWPLBRK-LBPRGKRZSA-N 0 3 369.443 0.866 10 5 FCBEHN Cc1nc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)cs1 ZINC001700246925 1289589369 /nfs/dbraw/zinc/58/93/69/1289589369.db2.gz RMXPXTZHXZUPOB-CHWSQXEVSA-N 0 3 354.432 0.872 10 5 FCBEHN CCc1cnc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)o1 ZINC001700246908 1289589563 /nfs/dbraw/zinc/58/95/63/1289589563.db2.gz RGNTTZUMSGXLIK-CHWSQXEVSA-N 0 3 352.391 0.657 10 5 FCBEHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001627324590 1290456503 /nfs/dbraw/zinc/45/65/03/1290456503.db2.gz YFDAUYUMIFKTGY-UHFFFAOYSA-N 0 3 369.422 0.913 10 5 FCBEHN O=C(NCCN1CCC2(C1)OCCO2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001629963519 1290636634 /nfs/dbraw/zinc/63/66/34/1290636634.db2.gz WRJDBVIERJZAEE-UHFFFAOYSA-N 0 3 361.358 0.650 10 5 FCBEHN Cc1cnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)s1 ZINC001671934604 1292053165 /nfs/dbraw/zinc/05/31/65/1292053165.db2.gz ARBQIGYUIWSLAC-VXGBXAGGSA-N 0 3 354.432 0.872 10 5 FCBEHN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(CN2CCCC2)on1 ZINC001687003661 1292972886 /nfs/dbraw/zinc/97/28/86/1292972886.db2.gz KFZDRFYFDQSPBW-TZMCWYRMSA-N 0 3 365.390 0.172 10 5 FCBEHN Cc1n[nH]c(C)c1NC(=O)CN(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985434 859450940 /nfs/dbraw/zinc/45/09/40/859450940.db2.gz YWXBVAJYJJYPRS-VXGBXAGGSA-N 0 3 352.395 0.068 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N1CCCCCCC1 ZINC001265842593 859467366 /nfs/dbraw/zinc/46/73/66/859467366.db2.gz BRGWNIZNWSGFAI-HUUCEWRRSA-N 0 3 354.451 0.882 10 5 FCBEHN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1nnc[nH]1 ZINC001288159785 864777550 /nfs/dbraw/zinc/77/75/50/864777550.db2.gz AEKXIEFIYOTPCN-VXGBXAGGSA-N 0 3 352.395 0.098 10 5 FCBEHN CN(C)Cc1ccsc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001350015170 866489904 /nfs/dbraw/zinc/48/99/04/866489904.db2.gz CYSWRXHTCWNVHZ-VXGBXAGGSA-N 0 3 354.432 0.711 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000185282457 209174924 /nfs/dbraw/zinc/17/49/24/209174924.db2.gz NIWXWOQQGLNIDL-UHFFFAOYSA-N 0 3 373.417 0.495 10 5 FCBEHN CN1CCN([C@@H]2CCCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000176674782 209007695 /nfs/dbraw/zinc/00/76/95/209007695.db2.gz QTQFUDALMRGYCB-OAHLLOKOSA-N 0 3 364.450 0.810 10 5 FCBEHN COC[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000261614217 488527576 /nfs/dbraw/zinc/52/75/76/488527576.db2.gz FDBSVYXQSOUWEG-AWEZNQCLSA-N 0 3 359.404 0.650 10 5 FCBEHN O=c1nc(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)[nH][n-]1 ZINC000281045739 489049258 /nfs/dbraw/zinc/04/92/58/489049258.db2.gz QHYRSKDEDBHEHY-LBPRGKRZSA-N 0 3 363.374 0.626 10 5 FCBEHN COc1ccc(NC(=O)CCN2CCN(CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492313 489571193 /nfs/dbraw/zinc/57/11/93/489571193.db2.gz PYFREOQLVQPEQW-ZDUSSCGKSA-N 0 3 366.418 0.930 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000427154460 489596763 /nfs/dbraw/zinc/59/67/63/489596763.db2.gz HNVLYQIGISONAQ-ZDUSSCGKSA-N 0 3 352.395 0.290 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444723132 490110682 /nfs/dbraw/zinc/11/06/82/490110682.db2.gz UQACBCPJNOGSFG-JLLWLGSASA-N 0 3 352.313 0.787 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN1C ZINC000421989831 490122773 /nfs/dbraw/zinc/12/27/73/490122773.db2.gz NUBQCSFWEUFYCS-CQSZACIVSA-N 0 3 370.431 0.426 10 5 FCBEHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCCN(CCO)CC1 ZINC000447818975 490277751 /nfs/dbraw/zinc/27/77/51/490277751.db2.gz ZRERMLPOOVJMDA-UHFFFAOYSA-N 0 3 364.446 0.931 10 5 FCBEHN CN(C)C[C@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000524318722 490531670 /nfs/dbraw/zinc/53/16/70/490531670.db2.gz DHIUVAVTXQSPRU-CYBMUJFWSA-N 0 3 362.386 0.873 10 5 FCBEHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000574254945 491484024 /nfs/dbraw/zinc/48/40/24/491484024.db2.gz ZCRAXSNAENLLKR-GJZGRUSLSA-N 0 3 354.407 0.985 10 5 FCBEHN Cc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444248 491776789 /nfs/dbraw/zinc/77/67/89/491776789.db2.gz NCXPAYUAGOIACZ-QMTHXVAHSA-N 0 3 368.415 0.327 10 5 FCBEHN Cc1c(NC(=O)C(=O)NC2CNC2)cc(Br)cc1[N+](=O)[O-] ZINC000591295182 491801317 /nfs/dbraw/zinc/80/13/17/491801317.db2.gz JENVHPNJRORWTO-UHFFFAOYSA-N 0 3 357.164 0.692 10 5 FCBEHN COC(=O)c1cc(C)nc(N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000591984797 491826770 /nfs/dbraw/zinc/82/67/70/491826770.db2.gz HTXKXPROIJEPOX-LLVKDONJSA-N 0 3 365.390 0.641 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592081894 491830996 /nfs/dbraw/zinc/83/09/96/491830996.db2.gz CVRKKKRURCFTDL-VIFPVBQESA-N 0 3 362.433 0.397 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592082238 491831105 /nfs/dbraw/zinc/83/11/05/491831105.db2.gz IHIPBAIXUXFKDD-LLVKDONJSA-N 0 3 356.404 0.335 10 5 FCBEHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919333 491872056 /nfs/dbraw/zinc/87/20/56/491872056.db2.gz XQAFRTZZHLTBLG-LEWSCRJBSA-N 0 3 371.415 0.660 10 5 FCBEHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC000595384358 491926480 /nfs/dbraw/zinc/92/64/80/491926480.db2.gz JLYAJLGNUAKQCM-MRXNPFEDSA-N 0 3 369.443 0.956 10 5 FCBEHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000595384891 491926815 /nfs/dbraw/zinc/92/68/15/491926815.db2.gz PMUIBAXPUQINRR-MRXNPFEDSA-N 0 3 369.443 0.956 10 5 FCBEHN Cn1cc([C@H](NCCn2cc([N+](=O)[O-])ccc2=O)C2(CO)CCC2)cn1 ZINC000595495603 491937045 /nfs/dbraw/zinc/93/70/45/491937045.db2.gz VQJGFZYQZMVOBU-INIZCTEOSA-N 0 3 361.402 0.984 10 5 FCBEHN CCS(=O)(=O)C1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000596064730 491974136 /nfs/dbraw/zinc/97/41/36/491974136.db2.gz IQNFKDAGKZBZHS-CYBMUJFWSA-N 0 3 358.416 0.891 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCOC2(CNC2)C1 ZINC000596098318 491975533 /nfs/dbraw/zinc/97/55/33/491975533.db2.gz KUFOTEONLFSFPP-NSHDSACASA-N 0 3 352.395 0.028 10 5 FCBEHN CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C)C1 ZINC000597946583 492074762 /nfs/dbraw/zinc/07/47/62/492074762.db2.gz PVUWQFZHXUEWKV-ZDUSSCGKSA-N 0 3 362.386 0.873 10 5 FCBEHN O=C([C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369551 492243695 /nfs/dbraw/zinc/24/36/95/492243695.db2.gz SXQYLHQLIMQXSV-ZFWWWQNUSA-N 0 3 351.407 0.487 10 5 FCBEHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000591756733 546939730 /nfs/dbraw/zinc/93/97/30/546939730.db2.gz VSFVSJMQKWOCJX-LBPRGKRZSA-N 0 3 350.331 0.550 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)nc1 ZINC000593552875 546973690 /nfs/dbraw/zinc/97/36/90/546973690.db2.gz JUKGVZFPEDKNJU-ZDUSSCGKSA-N 0 3 358.420 0.505 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)nc1 ZINC000593552875 546973697 /nfs/dbraw/zinc/97/36/97/546973697.db2.gz JUKGVZFPEDKNJU-ZDUSSCGKSA-N 0 3 358.420 0.505 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)nc1 ZINC000593552874 546973867 /nfs/dbraw/zinc/97/38/67/546973867.db2.gz JUKGVZFPEDKNJU-CYBMUJFWSA-N 0 3 358.420 0.505 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000593552874 546973869 /nfs/dbraw/zinc/97/38/69/546973869.db2.gz JUKGVZFPEDKNJU-CYBMUJFWSA-N 0 3 358.420 0.505 10 5 FCBEHN CN1CCC2(CC1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CCO2 ZINC000593614196 546984382 /nfs/dbraw/zinc/98/43/82/546984382.db2.gz UJTXCJMNQFDYCB-UHFFFAOYSA-N 0 3 356.404 0.475 10 5 FCBEHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594754138 547004881 /nfs/dbraw/zinc/00/48/81/547004881.db2.gz PDSSZCRGRGPNBZ-CYBMUJFWSA-N 0 3 369.447 0.390 10 5 FCBEHN CN(C)CCOC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594756995 547005848 /nfs/dbraw/zinc/00/58/48/547005848.db2.gz GCWMYXQHGWJMMM-UHFFFAOYSA-N 0 3 358.420 0.721 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000823926529 669366509 /nfs/dbraw/zinc/36/65/09/669366509.db2.gz APTOBBHGXQTEQB-UHFFFAOYSA-N 0 3 350.379 0.415 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869082024 672421049 /nfs/dbraw/zinc/42/10/49/672421049.db2.gz SQRMHIQSYREEKC-LLVKDONJSA-N 0 3 352.366 0.855 10 5 FCBEHN COc1ccc(OCCN2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000593053115 1193769459 /nfs/dbraw/zinc/76/94/59/1193769459.db2.gz XFPXRNHKMYGZPX-UHFFFAOYSA-N 0 3 366.418 0.688 10 5 FCBEHN O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@H]1CNCCO1 ZINC000594699116 1196736874 /nfs/dbraw/zinc/73/68/74/1196736874.db2.gz QOVLNXVVKFCKNO-LLVKDONJSA-N 0 3 356.342 0.479 10 5 FCBEHN CCOc1ccc(NC(=O)CN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594026621 1196847518 /nfs/dbraw/zinc/84/75/18/1196847518.db2.gz FTEFRGZMPLOCEK-QWHCGFSZSA-N 0 3 364.402 0.683 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000844041370 1203331468 /nfs/dbraw/zinc/33/14/68/1203331468.db2.gz QXERKJSSWLBNQP-LBPRGKRZSA-N 0 3 363.418 0.853 10 5 FCBEHN NC(=O)c1ccc(CN2CCC3(CC2)C[C@H](O)CNC3=O)c([N+](=O)[O-])c1 ZINC001176727747 1206319225 /nfs/dbraw/zinc/31/92/25/1206319225.db2.gz KSCDILRGXUEREX-ZDUSSCGKSA-N 0 3 362.386 0.157 10 5 FCBEHN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306772 1245365009 /nfs/dbraw/zinc/36/50/09/1245365009.db2.gz ZJAHNMYDJAFWBN-UONOGXRCSA-N 0 3 364.358 0.713 10 5 FCBEHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001472877046 1261486113 /nfs/dbraw/zinc/48/61/13/1261486113.db2.gz ZVZNYWBOZMTRAG-UHFFFAOYSA-N 0 3 372.447 0.715 10 5 FCBEHN CC(C)N(C)C(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001485663129 1263511739 /nfs/dbraw/zinc/51/17/39/1263511739.db2.gz QGARBPKMHNYEKB-ZIAGYGMSSA-N 0 3 352.435 0.443 10 5 FCBEHN Cc1nnc(CNCCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)o1 ZINC001491900795 1263626959 /nfs/dbraw/zinc/62/69/59/1263626959.db2.gz WQAVIOZKZSNZAT-HUUCEWRRSA-N 0 3 359.386 0.992 10 5 FCBEHN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnccc1N(C)C ZINC001492945993 1263685273 /nfs/dbraw/zinc/68/52/73/1263685273.db2.gz PQINDRZUQZUKQI-IUODEOHRSA-N 0 3 363.418 0.781 10 5 FCBEHN CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051711 1269014938 /nfs/dbraw/zinc/01/49/38/1269014938.db2.gz YEEQEOQDWIPAMM-OLZOCXBDSA-N 0 3 351.407 0.988 10 5 FCBEHN Cc1cc(C(=O)NCC(=O)N2CC(N[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001558550027 1269108853 /nfs/dbraw/zinc/10/88/53/1269108853.db2.gz WVOYHIHPERQXLC-ZDUSSCGKSA-N 0 3 362.386 0.222 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)Nc1ccc(O)cc1 ZINC001566453485 1269645033 /nfs/dbraw/zinc/64/50/33/1269645033.db2.gz OENNOOQFLGJNIV-ZIAGYGMSSA-N 0 3 350.375 0.434 10 5 FCBEHN COc1ccnc(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001570491974 1269892585 /nfs/dbraw/zinc/89/25/85/1269892585.db2.gz LKZACGXBEPWZJO-HUUCEWRRSA-N 0 3 364.402 0.199 10 5 FCBEHN CN(CCNCc1c(Br)cnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591511 1287287326 /nfs/dbraw/zinc/28/73/26/1287287326.db2.gz OUMWIVRQSISJLH-PSASIEDQSA-N 0 3 360.212 0.396 10 5 FCBEHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC(=O)NC(C)(C)C ZINC001714652876 1287330159 /nfs/dbraw/zinc/33/01/59/1287330159.db2.gz FQQWBVPIMSXMKR-VXGBXAGGSA-N 0 3 371.438 0.104 10 5 FCBEHN O=C(NCC1(NCc2nnc3n2CCCCC3)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717149797 1287409030 /nfs/dbraw/zinc/40/90/30/1287409030.db2.gz CDIYFOMPZJFWKH-CHWSQXEVSA-N 0 3 362.434 0.798 10 5 FCBEHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@]12CCN(C1)CCC2 ZINC001632723893 1282200827 /nfs/dbraw/zinc/20/08/27/1282200827.db2.gz FNULMMQWUOVOTI-KRWDZBQOSA-N 0 3 361.402 0.749 10 5 FCBEHN CN1CCC(CCO)(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC001633284374 1282239601 /nfs/dbraw/zinc/23/96/01/1282239601.db2.gz GEHVFWMLIHCNKH-UHFFFAOYSA-N 0 3 351.359 0.900 10 5 FCBEHN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001634864108 1282360989 /nfs/dbraw/zinc/36/09/89/1282360989.db2.gz GVKNYYGNPMLBNT-UONOGXRCSA-N 0 3 372.385 0.457 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCC1 ZINC001639347287 1282773465 /nfs/dbraw/zinc/77/34/65/1282773465.db2.gz GCTWJRFNBSPJOF-UHFFFAOYSA-N 0 3 370.431 0.427 10 5 FCBEHN COCCN(C)CCN1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC1=O ZINC001642823677 1283042865 /nfs/dbraw/zinc/04/28/65/1283042865.db2.gz OFBGLBRGUORNHG-LLVKDONJSA-N 0 3 371.825 0.656 10 5 FCBEHN COc1cc(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001725017774 1288458667 /nfs/dbraw/zinc/45/86/67/1288458667.db2.gz RGHIAQLQVIYSIZ-ZIAGYGMSSA-N 0 3 364.402 0.199 10 5 FCBEHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)C1=CCN(C)CC1 ZINC001611445615 1289649540 /nfs/dbraw/zinc/64/95/40/1289649540.db2.gz OEVGZAYXUCICAI-NSHDSACASA-N 0 3 357.374 0.951 10 5 FCBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(O)(C(N)=O)CC1 ZINC001617881750 1289870803 /nfs/dbraw/zinc/87/08/03/1289870803.db2.gz KPSIKOXVEHNPPE-UHFFFAOYSA-N 0 3 350.375 0.544 10 5 FCBEHN CCCc1n[nH]c(C(=O)NCC(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC001627548309 1290469602 /nfs/dbraw/zinc/46/96/02/1290469602.db2.gz DWBVSFAERVYGSN-UHFFFAOYSA-N 0 3 366.422 0.602 10 5 FCBEHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CN1C1CC1 ZINC001630423183 1290668371 /nfs/dbraw/zinc/66/83/71/1290668371.db2.gz LFFHDPVWGXJQLB-MNOVXSKESA-N 0 3 357.374 0.926 10 5 FCBEHN CN(CCO)CCN(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001630599396 1290679865 /nfs/dbraw/zinc/67/98/65/1290679865.db2.gz OQSAEIGIXYTEKZ-UHFFFAOYSA-N 0 3 353.379 0.099 10 5 FCBEHN Cc1cc(C(=O)NCC(=O)N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC001647837278 1291077916 /nfs/dbraw/zinc/07/79/16/1291077916.db2.gz STIKMDYISBEBCX-UHFFFAOYSA-N 0 3 352.391 0.016 10 5 FCBEHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC(N[C@@H]2CCOC2)C1 ZINC001652687496 1291290307 /nfs/dbraw/zinc/29/03/07/1291290307.db2.gz YKHUBZPCGNFBMN-CYBMUJFWSA-N 0 3 362.386 0.304 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761311 1291297705 /nfs/dbraw/zinc/29/77/05/1291297705.db2.gz WEDDHYCEOSQTGQ-GXTWGEPZSA-N 0 3 352.391 0.378 10 5 FCBEHN COC(=O)[C@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001655430937 1291467939 /nfs/dbraw/zinc/46/79/39/1291467939.db2.gz JDEVXPOASCTFBG-HNNXBMFYSA-N 0 3 355.322 0.672 10 5 FCBEHN CN(C)S(=O)(=O)c1ccc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001164234044 850398209 /nfs/dbraw/zinc/39/82/09/850398209.db2.gz HHEYTVYWXOBGPX-NSHDSACASA-N 0 3 370.431 0.412 10 5 FCBEHN CS(=O)(=O)c1ccc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)o1 ZINC001273084187 860368591 /nfs/dbraw/zinc/36/85/91/860368591.db2.gz FQDVHHWODUBJDT-VXGBXAGGSA-N 0 3 371.415 0.477 10 5 FCBEHN Cc1nccn1CC(=O)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001296698602 865984748 /nfs/dbraw/zinc/98/47/48/865984748.db2.gz UFCSBEBPLFCNOF-ZIAGYGMSSA-N 0 3 351.407 0.600 10 5 FCBEHN CN(C)C[C@@H]1CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000291499228 214038634 /nfs/dbraw/zinc/03/86/34/214038634.db2.gz MLEFBMPYZCUBMR-NSHDSACASA-N 0 3 360.370 0.743 10 5 FCBEHN Cc1nc(C[C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000246622760 209393338 /nfs/dbraw/zinc/39/33/38/209393338.db2.gz ADERKISSPOVMFV-TZMCWYRMSA-N 0 3 350.379 0.798 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000246318702 209383864 /nfs/dbraw/zinc/38/38/64/209383864.db2.gz CWWHFLHVQGMVPZ-KYJSFNMBSA-N 0 3 365.430 0.987 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000419320353 246097658 /nfs/dbraw/zinc/09/76/58/246097658.db2.gz DOSBPFIDWQSOJF-IJEWVQPXSA-N 0 3 353.419 0.721 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425003422 247284221 /nfs/dbraw/zinc/28/42/21/247284221.db2.gz HXNWZZPFIRXDCN-LSDHHAIUSA-N 0 3 356.386 0.919 10 5 FCBEHN COc1cc(CCNC(=O)C2(N)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000261927138 488542110 /nfs/dbraw/zinc/54/21/10/488542110.db2.gz VVMRXCPVBIFYDW-UHFFFAOYSA-N 0 3 353.375 0.779 10 5 FCBEHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794540 488593473 /nfs/dbraw/zinc/59/34/73/488593473.db2.gz STSDOAJZGFOUPY-ZJUUUORDSA-N 0 3 357.388 0.642 10 5 FCBEHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794529 488593780 /nfs/dbraw/zinc/59/37/80/488593780.db2.gz STSDOAJZGFOUPY-NXEZZACHSA-N 0 3 357.388 0.642 10 5 FCBEHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000263751445 488624237 /nfs/dbraw/zinc/62/42/37/488624237.db2.gz SUMHYJRSHFNQPG-ZDUSSCGKSA-N 0 3 364.406 0.443 10 5 FCBEHN COCCN1CC[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273090227 488631052 /nfs/dbraw/zinc/63/10/52/488631052.db2.gz MNUIQNNMOHKDDQ-CYBMUJFWSA-N 0 3 372.447 0.183 10 5 FCBEHN COc1cc(C(=O)N2CCN(CCN(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000264008101 488642619 /nfs/dbraw/zinc/64/26/19/488642619.db2.gz GWHVSZOMDSLETO-UHFFFAOYSA-N 0 3 366.418 0.931 10 5 FCBEHN C[C@H]1CN(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCO1 ZINC000159772360 488787390 /nfs/dbraw/zinc/78/73/90/488787390.db2.gz XJXKYTNIRRZWIW-AWEZNQCLSA-N 0 3 350.419 0.942 10 5 FCBEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000160401414 488791020 /nfs/dbraw/zinc/79/10/20/488791020.db2.gz PORXFLWPLHKYCR-AWEZNQCLSA-N 0 3 374.401 0.752 10 5 FCBEHN CN(C)C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000162970635 488806428 /nfs/dbraw/zinc/80/64/28/488806428.db2.gz PQNHQHYWGAMLEC-CQSZACIVSA-N 0 3 357.432 0.730 10 5 FCBEHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000366321139 489170698 /nfs/dbraw/zinc/17/06/98/489170698.db2.gz WAQGGMJGHLXPSX-VROVMSAKSA-N 0 3 362.205 0.853 10 5 FCBEHN COC(=O)c1cc(C)nc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000367717676 489210002 /nfs/dbraw/zinc/21/00/02/489210002.db2.gz VNBYWGKHKRJSCD-NWDGAFQWSA-N 0 3 350.375 1.360 10 5 FCBEHN CC(C)NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000563866216 491273598 /nfs/dbraw/zinc/27/35/98/491273598.db2.gz QOVHKGRMTLIAMM-UHFFFAOYSA-N 0 3 370.431 0.426 10 5 FCBEHN NC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(F)(F)F ZINC000571204833 491292523 /nfs/dbraw/zinc/29/25/23/491292523.db2.gz ZDYMPMQZJIGQEY-SECBINFHSA-N 0 3 366.321 0.830 10 5 FCBEHN O=C(N[C@@H]1CNCCC1(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514591624 490772560 /nfs/dbraw/zinc/77/25/60/490772560.db2.gz VQFIKDWLMXYIGN-GFCCVEGCSA-N 0 3 370.360 0.819 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2nnc3n2CCC3)cc1 ZINC000581126298 491760301 /nfs/dbraw/zinc/76/03/01/491760301.db2.gz BYYROMGXBCERDZ-UHFFFAOYSA-N 0 3 365.415 0.739 10 5 FCBEHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590441961 491776677 /nfs/dbraw/zinc/77/66/77/491776677.db2.gz DQJVKOMBHLUWRT-RWMBFGLXSA-N 0 3 362.386 0.955 10 5 FCBEHN CN1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590442702 491776741 /nfs/dbraw/zinc/77/67/41/491776741.db2.gz ADZXFORLQOPHFK-ZFWWWQNUSA-N 0 3 361.402 0.557 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591982787 491826503 /nfs/dbraw/zinc/82/65/03/491826503.db2.gz RMDHYGGEKYWURW-NSHDSACASA-N 0 3 370.431 0.555 10 5 FCBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592081628 491831071 /nfs/dbraw/zinc/83/10/71/491831071.db2.gz BHSADLNHQKTORZ-LBPRGKRZSA-N 0 3 370.431 0.644 10 5 FCBEHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919332 491872110 /nfs/dbraw/zinc/87/21/10/491872110.db2.gz XQAFRTZZHLTBLG-LERXQTSPSA-N 0 3 371.415 0.660 10 5 FCBEHN N[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[C@H]1F ZINC000595260725 491908253 /nfs/dbraw/zinc/90/82/53/491908253.db2.gz KGEYVGWRIAMLPO-GHMZBOCLSA-N 0 3 352.322 0.218 10 5 FCBEHN NC(=O)c1ccc(SCC(=O)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595260915 491908365 /nfs/dbraw/zinc/90/83/65/491908365.db2.gz NHKVGCFXHXJCNV-NXEZZACHSA-N 0 3 356.379 0.684 10 5 FCBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(CO)(CO)C1 ZINC000595804661 491954973 /nfs/dbraw/zinc/95/49/73/491954973.db2.gz BIDJDKSSMRZWLV-UHFFFAOYSA-N 0 3 351.359 0.570 10 5 FCBEHN CCS(=O)(=O)C1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000596065881 491974181 /nfs/dbraw/zinc/97/41/81/491974181.db2.gz XVXNFFZXADFPBS-LBPRGKRZSA-N 0 3 358.416 0.891 10 5 FCBEHN CCS(=O)(=O)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000596064731 491974271 /nfs/dbraw/zinc/97/42/71/491974271.db2.gz IQNFKDAGKZBZHS-ZDUSSCGKSA-N 0 3 358.416 0.891 10 5 FCBEHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCOC2(CNC2)C1 ZINC000596098316 491975458 /nfs/dbraw/zinc/97/54/58/491975458.db2.gz KUFOTEONLFSFPP-LLVKDONJSA-N 0 3 352.395 0.028 10 5 FCBEHN CN1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596165442 491977977 /nfs/dbraw/zinc/97/79/77/491977977.db2.gz KYWVOCJQQJDJKR-SECBINFHSA-N 0 3 363.403 0.783 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597989984 492076953 /nfs/dbraw/zinc/07/69/53/492076953.db2.gz JAARQQGFULOQON-MRXNPFEDSA-N 0 3 373.413 0.983 10 5 FCBEHN CN(C)S(=O)(=O)N1CC(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090563 492134426 /nfs/dbraw/zinc/13/44/26/492134426.db2.gz NFQTUTNVFYPGGF-OLZOCXBDSA-N 0 3 372.451 0.355 10 5 FCBEHN C[NH2+]CCOCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599106701 492135868 /nfs/dbraw/zinc/13/58/68/492135868.db2.gz HQEJCPQGSLBOQF-UHFFFAOYSA-N 0 3 351.356 0.257 10 5 FCBEHN CN(C)CCOc1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000609182385 492199764 /nfs/dbraw/zinc/19/97/64/492199764.db2.gz VPPUEZGBPPCSFB-UHFFFAOYSA-N 0 3 362.390 0.486 10 5 FCBEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610925784 492269943 /nfs/dbraw/zinc/26/99/43/492269943.db2.gz ZWKAUTATKVQDGD-NSHDSACASA-N 0 3 351.359 0.900 10 5 FCBEHN NC[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451065 546998662 /nfs/dbraw/zinc/99/86/62/546998662.db2.gz GAWMBFYEVZLQRM-JTQLQIEISA-N 0 3 362.264 0.326 10 5 FCBEHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107416 669827659 /nfs/dbraw/zinc/82/76/59/669827659.db2.gz NCRNCQQOSZFCQP-LBPRGKRZSA-N 0 3 372.399 0.838 10 5 FCBEHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCOC2(CNC2)C1 ZINC000841303179 670546675 /nfs/dbraw/zinc/54/66/75/670546675.db2.gz NNKWONWGRVNMBQ-UHFFFAOYSA-N 0 3 354.750 0.388 10 5 FCBEHN Cc1cc(F)cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000844762147 670940970 /nfs/dbraw/zinc/94/09/70/670940970.db2.gz KEFGAAVNAMPAHK-UHFFFAOYSA-N 0 3 352.366 0.888 10 5 FCBEHN O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@@H]1CNCCO1 ZINC000594699120 1196736482 /nfs/dbraw/zinc/73/64/82/1196736482.db2.gz QOVLNXVVKFCKNO-NSHDSACASA-N 0 3 356.342 0.479 10 5 FCBEHN CCNc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593232924 1196764197 /nfs/dbraw/zinc/76/41/97/1196764197.db2.gz OHLOBRAYYTXSRK-UHFFFAOYSA-N 0 3 363.418 0.873 10 5 FCBEHN CN(C)CCN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000593234631 1196765278 /nfs/dbraw/zinc/76/52/78/1196765278.db2.gz KRYVXQQTVHXLBA-UHFFFAOYSA-N 0 3 364.402 0.596 10 5 FCBEHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000816948888 1203083992 /nfs/dbraw/zinc/08/39/92/1203083992.db2.gz JIRGHOUIIZSWMG-FZMZJTMJSA-N 0 3 363.370 0.957 10 5 FCBEHN O=C1NCC2(CCOCC2)[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198146728 1208224043 /nfs/dbraw/zinc/22/40/43/1208224043.db2.gz GOTMNWPXJIZAQC-WFASDCNBSA-N 0 3 365.386 0.219 10 5 FCBEHN NS(=O)(=O)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473850958 1261502092 /nfs/dbraw/zinc/50/20/92/1261502092.db2.gz VTZCOMHHYLTZHD-JTQLQIEISA-N 0 3 374.394 0.673 10 5 FCBEHN Cc1cc(C(=O)NCC(=O)NCCN2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC001297879469 1262899213 /nfs/dbraw/zinc/89/92/13/1262899213.db2.gz BSEXLEKBUIWNKA-UHFFFAOYSA-N 0 3 363.418 0.817 10 5 FCBEHN Cc1csc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)n1 ZINC001500570706 1264072998 /nfs/dbraw/zinc/07/29/98/1264072998.db2.gz JYGDUDXOXJGQDD-VXGBXAGGSA-N 0 3 354.432 0.872 10 5 FCBEHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198653 1269054886 /nfs/dbraw/zinc/05/48/86/1269054886.db2.gz WJGTVZWVKADCIW-HUUCEWRRSA-N 0 3 357.374 0.879 10 5 FCBEHN C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC001341682867 1269150068 /nfs/dbraw/zinc/15/00/68/1269150068.db2.gz GJHXCDNCWDDPHE-CHWSQXEVSA-N 0 3 350.423 0.426 10 5 FCBEHN C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC001341682870 1269150485 /nfs/dbraw/zinc/15/04/85/1269150485.db2.gz GJHXCDNCWDDPHE-STQMWFEESA-N 0 3 350.423 0.426 10 5 FCBEHN COC(=O)[C@@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001560098940 1269186894 /nfs/dbraw/zinc/18/68/94/1269186894.db2.gz WUYDJWJBZGUUQO-MRXNPFEDSA-N 0 3 367.358 0.542 10 5 FCBEHN CNC(=O)C1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001560147757 1269192076 /nfs/dbraw/zinc/19/20/76/1269192076.db2.gz BIWNLGYRYBCKBT-UHFFFAOYSA-N 0 3 353.375 0.867 10 5 FCBEHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403851 1282244034 /nfs/dbraw/zinc/24/40/34/1282244034.db2.gz NJXJXYGRPHPFPR-CZUORRHYSA-N 0 3 350.419 0.770 10 5 FCBEHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001635942271 1282443665 /nfs/dbraw/zinc/44/36/65/1282443665.db2.gz ROMKHFKTPBXFPU-LBPRGKRZSA-N 0 3 358.358 0.378 10 5 FCBEHN O=C(NC1(CNCc2coc(C3CC3)n2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001724917809 1288456331 /nfs/dbraw/zinc/45/63/31/1288456331.db2.gz XVZOAGDUHVDUEI-ZIAGYGMSSA-N 0 3 364.402 0.972 10 5 FCBEHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OCCCNCc2ncccn2)CC1 ZINC001725210947 1288463490 /nfs/dbraw/zinc/46/34/90/1288463490.db2.gz ATXFVBVUWSSPCK-HUUCEWRRSA-N 0 3 363.418 0.629 10 5 FCBEHN COc1c(C)[nH]cc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC001620471178 1289989889 /nfs/dbraw/zinc/98/98/89/1289989889.db2.gz IOXMIYWKDZJPTH-CYBMUJFWSA-N 0 3 351.363 0.290 10 5 FCBEHN O=C(CN1CCCC1)N1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001626877287 1290422242 /nfs/dbraw/zinc/42/22/42/1290422242.db2.gz OSXUMMFFBODWLU-UHFFFAOYSA-N 0 3 370.797 0.352 10 5 FCBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001627692049 1290477050 /nfs/dbraw/zinc/47/70/50/1290477050.db2.gz DYBLZPUJJUCKNJ-OAHLLOKOSA-N 0 3 363.418 0.971 10 5 FCBEHN COc1ccc([C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2)cc1 ZINC001644200488 1290946928 /nfs/dbraw/zinc/94/69/28/1290946928.db2.gz GHAFKDNRLDTSJL-DOTOQJQBSA-N 0 3 361.402 0.807 10 5 FCBEHN NS(=O)(=O)c1cccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001651494969 1291224615 /nfs/dbraw/zinc/22/46/15/1291224615.db2.gz HJVZEVACPZSGAT-RYUDHWBXSA-N 0 3 370.431 0.278 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761313 1291297522 /nfs/dbraw/zinc/29/75/22/1291297522.db2.gz WEDDHYCEOSQTGQ-OCCSQVGLSA-N 0 3 352.391 0.378 10 5 FCBEHN CC[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC001163085292 850353498 /nfs/dbraw/zinc/35/34/98/850353498.db2.gz OSPAFHSKUCMWLS-GFCCVEGCSA-N 0 3 372.447 0.672 10 5 FCBEHN C[C@]1([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892536 853181251 /nfs/dbraw/zinc/18/12/51/853181251.db2.gz ZVTGFUXJWFYCGL-BLLLJJGKSA-N 0 3 350.375 0.967 10 5 FCBEHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC001350366631 866577001 /nfs/dbraw/zinc/57/70/01/866577001.db2.gz ZLUJUGBGKQWYBJ-GFCCVEGCSA-N 0 3 356.404 0.210 10 5 FCBEHN Cc1cc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001316958156 867511570 /nfs/dbraw/zinc/51/15/70/867511570.db2.gz OLNUREZATZVSIT-HUUCEWRRSA-N 0 3 351.407 0.272 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001321057569 868353711 /nfs/dbraw/zinc/35/37/11/868353711.db2.gz QAANMBXBBXYGJJ-GEYXIOIISA-N 0 3 350.350 0.691 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001321057572 868353912 /nfs/dbraw/zinc/35/39/12/868353912.db2.gz QAANMBXBBXYGJJ-KOMGFDSOSA-N 0 3 350.350 0.691 10 5 FCBEHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295457670 214298970 /nfs/dbraw/zinc/29/89/70/214298970.db2.gz PZAKXDDPSILMOZ-KEYYUXOJSA-N 0 3 351.403 0.739 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2CCOC[C@H]2C1 ZINC000368816308 216299336 /nfs/dbraw/zinc/29/93/36/216299336.db2.gz JVRFGVNWAHGAPV-CQSZACIVSA-N 0 3 364.402 0.948 10 5 FCBEHN CCOC(=O)C1(COC)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000373803859 217061882 /nfs/dbraw/zinc/06/18/82/217061882.db2.gz FQVWHESGTCFCHM-CQSZACIVSA-N 0 3 370.406 0.444 10 5 FCBEHN CN(CC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1[N+](=O)[O-] ZINC000452386306 249315176 /nfs/dbraw/zinc/31/51/76/249315176.db2.gz FKHDMAGTJJJUIX-AWEZNQCLSA-N 0 3 350.419 0.994 10 5 FCBEHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301923637 488885927 /nfs/dbraw/zinc/88/59/27/488885927.db2.gz GKHSQNRJDISEGB-LBPRGKRZSA-N 0 3 359.390 0.380 10 5 FCBEHN O=C1NC(=O)[C@]2(CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060430 488914288 /nfs/dbraw/zinc/91/42/88/488914288.db2.gz LMOASAALNDUNPA-BLLLJJGKSA-N 0 3 364.358 0.009 10 5 FCBEHN CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000247580110 488488270 /nfs/dbraw/zinc/48/82/70/488488270.db2.gz IIQNQKOEILZZGZ-SWLSCSKDSA-N 0 3 350.419 0.971 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000272422007 488579496 /nfs/dbraw/zinc/57/94/96/488579496.db2.gz HRHMDKMWIJBPLM-CABCVRRESA-N 0 3 373.413 0.941 10 5 FCBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000181566371 488863412 /nfs/dbraw/zinc/86/34/12/488863412.db2.gz KJSLIDNQSZESBL-LLVKDONJSA-N 0 3 366.399 0.755 10 5 FCBEHN CN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CNC1 ZINC000415740831 489548743 /nfs/dbraw/zinc/54/87/43/489548743.db2.gz XQHJJXYEABBEOV-UHFFFAOYSA-N 0 3 357.164 0.726 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000426485652 489569649 /nfs/dbraw/zinc/56/96/49/489569649.db2.gz OOBKQOIPQRMGIZ-ZDUSSCGKSA-N 0 3 366.418 0.930 10 5 FCBEHN COc1ccc(NC(=O)CCN2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459639698 489743381 /nfs/dbraw/zinc/74/33/81/489743381.db2.gz DKIOBDRQHSGQHK-INIZCTEOSA-N 0 3 353.375 0.751 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@](O)(CO)C1 ZINC000459653259 489747045 /nfs/dbraw/zinc/74/70/45/489747045.db2.gz XPMDKLHWNFVSBI-INIZCTEOSA-N 0 3 353.375 0.751 10 5 FCBEHN O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960268 491279809 /nfs/dbraw/zinc/27/98/09/491279809.db2.gz ROLNDIQHJMUKHZ-ONGXEEELSA-N 0 3 372.328 0.906 10 5 FCBEHN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397527143 490167224 /nfs/dbraw/zinc/16/72/24/490167224.db2.gz JBRVAMTUJPUGGP-UHFFFAOYSA-N 0 3 373.413 0.935 10 5 FCBEHN CN(C)C(=O)CCN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000502359454 490702658 /nfs/dbraw/zinc/70/26/58/490702658.db2.gz HQKINVGQIAIFGN-UHFFFAOYSA-N 0 3 361.406 0.992 10 5 FCBEHN CNc1nccc(C(=O)N2CCN(c3ccncc3OC)CC2)c1[N+](=O)[O-] ZINC000584360733 491583237 /nfs/dbraw/zinc/58/32/37/491583237.db2.gz POZZVZPLEHPUTJ-UHFFFAOYSA-N 0 3 372.385 1.398 10 5 FCBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000590445053 491777087 /nfs/dbraw/zinc/77/70/87/491777087.db2.gz PXDQOUJUXODDOP-JQWIXIFHSA-N 0 3 354.388 0.018 10 5 FCBEHN CN1C[C@H]2[C@@H](CCN2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000590445987 491777092 /nfs/dbraw/zinc/77/70/92/491777092.db2.gz QGXMKEKBKIMCOA-GWCFXTLKSA-N 0 3 358.354 0.353 10 5 FCBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000591984830 491826838 /nfs/dbraw/zinc/82/68/38/491826838.db2.gz IUENUZXIHVJLPE-NSHDSACASA-N 0 3 350.375 0.938 10 5 FCBEHN CN1CCC2(CC1)CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)CCO2 ZINC000591990074 491827144 /nfs/dbraw/zinc/82/71/44/491827144.db2.gz RRNFFZPVQBIULE-UHFFFAOYSA-N 0 3 352.395 0.298 10 5 FCBEHN Cc1cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000592081611 491831102 /nfs/dbraw/zinc/83/11/02/491831102.db2.gz AVLWFPUMJWWYRH-GFCCVEGCSA-N 0 3 370.431 0.644 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CO)(CO)C1 ZINC000595802064 491954417 /nfs/dbraw/zinc/95/44/17/491954417.db2.gz YORPXWCNWVGGHJ-UHFFFAOYSA-N 0 3 353.375 0.609 10 5 FCBEHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595985371 491969029 /nfs/dbraw/zinc/96/90/29/491969029.db2.gz IJAGRRDMKHLISL-NSHDSACASA-N 0 3 374.405 0.470 10 5 FCBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCOC3(CNC3)C2)cc1OC ZINC000596579311 491991662 /nfs/dbraw/zinc/99/16/62/491991662.db2.gz GQOUGUKSDGZVEH-UHFFFAOYSA-N 0 3 351.359 0.817 10 5 FCBEHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597990737 492076914 /nfs/dbraw/zinc/07/69/14/492076914.db2.gz NDMKJVAICDPRJI-HNNXBMFYSA-N 0 3 359.386 0.674 10 5 FCBEHN COC(=O)COc1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991242 492129284 /nfs/dbraw/zinc/12/92/84/492129284.db2.gz XGGCSKJASIZRNO-HIFRSBDPSA-N 0 3 354.359 0.776 10 5 FCBEHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000599111331 492136944 /nfs/dbraw/zinc/13/69/44/492136944.db2.gz HLZQRQGEUZWYER-NSHDSACASA-N 0 3 352.376 0.199 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)n1 ZINC000599248547 492148582 /nfs/dbraw/zinc/14/85/82/492148582.db2.gz NYEQYUGXUIWUAT-LBPRGKRZSA-N 0 3 357.436 0.825 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000599266807 492151737 /nfs/dbraw/zinc/15/17/37/492151737.db2.gz MIVIEVBCWROCCK-DGCLKSJQSA-N 0 3 369.447 0.966 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000608861379 492194509 /nfs/dbraw/zinc/19/45/09/492194509.db2.gz QMPUODCSOAAUTK-OAHLLOKOSA-N 0 3 361.402 0.853 10 5 FCBEHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610925856 492269833 /nfs/dbraw/zinc/26/98/33/492269833.db2.gz IUBMFNPUXYVRDZ-CYBMUJFWSA-N 0 3 365.386 0.943 10 5 FCBEHN O=C(CCOC1CNC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592021627 546943933 /nfs/dbraw/zinc/94/39/33/546943933.db2.gz SNNOKCKGLRWFOP-UHFFFAOYSA-N 0 3 368.415 0.319 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000592879000 546960031 /nfs/dbraw/zinc/96/00/31/546960031.db2.gz JROBRVOGXLAGJO-GFCCVEGCSA-N 0 3 350.375 0.552 10 5 FCBEHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593551636 546973594 /nfs/dbraw/zinc/97/35/94/546973594.db2.gz BXUHGIFWWQULKK-ZDUSSCGKSA-N 0 3 371.463 0.542 10 5 FCBEHN [NH3+]CC1(CC[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000593730903 546990395 /nfs/dbraw/zinc/99/03/95/546990395.db2.gz MYDVGPLFHVGKFV-UHFFFAOYSA-N 0 3 357.388 0.773 10 5 FCBEHN COc1cc(OCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594393447 546998129 /nfs/dbraw/zinc/99/81/29/546998129.db2.gz NCARWQWWAYAGEC-NWDGAFQWSA-N 0 3 351.359 0.260 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C ZINC000594822189 547014519 /nfs/dbraw/zinc/01/45/19/547014519.db2.gz RVURXNFPJYQSEU-SNVBAGLBSA-N 0 3 359.404 1.000 10 5 FCBEHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000851852347 671473942 /nfs/dbraw/zinc/47/39/42/671473942.db2.gz MMCLEQGZWDLHOH-GFCCVEGCSA-N 0 3 373.406 0.954 10 5 FCBEHN Cc1nn(CCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000592875069 1196585884 /nfs/dbraw/zinc/58/58/84/1196585884.db2.gz VVWMHGHFJRHQPT-ZDUSSCGKSA-N 0 3 366.422 0.377 10 5 FCBEHN CN(C)CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593051992 1196605935 /nfs/dbraw/zinc/60/59/35/1196605935.db2.gz UBKHMVFVNSMXFR-HNNXBMFYSA-N 0 3 366.418 0.040 10 5 FCBEHN Cc1ccc(NC(=O)CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1F ZINC001483732388 1197113896 /nfs/dbraw/zinc/11/38/96/1197113896.db2.gz HLSDESWCQCKSFV-TZMCWYRMSA-N 0 3 364.377 0.976 10 5 FCBEHN C[C@H]1[C@@H](CO)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809656 1199093732 /nfs/dbraw/zinc/09/37/32/1199093732.db2.gz BMMCGSACTYKNLO-LSDHHAIUSA-N 0 3 362.430 0.946 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008411 1206370790 /nfs/dbraw/zinc/37/07/90/1206370790.db2.gz KGALCNPVONUJQE-AAEUAGOBSA-N 0 3 366.422 0.417 10 5 FCBEHN CN(CC1CN(C)C1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555957 1209599238 /nfs/dbraw/zinc/59/92/38/1209599238.db2.gz TXSHRFVZOBCQPB-QGZVFWFLSA-N 0 3 361.402 0.813 10 5 FCBEHN CN(C)C[C@H](CO)NC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000854468256 1209629907 /nfs/dbraw/zinc/62/99/07/1209629907.db2.gz PPHSVANYHRMELJ-SECBINFHSA-N 0 3 372.328 0.072 10 5 FCBEHN CCCn1ncnc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001273969805 1209959499 /nfs/dbraw/zinc/95/94/99/1209959499.db2.gz YTVWFINDPGNRIM-CHWSQXEVSA-N 0 3 366.422 0.108 10 5 FCBEHN CN1CCC(N(CCO)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC001163748459 1223233680 /nfs/dbraw/zinc/23/36/80/1223233680.db2.gz ADVYCFWOTKOXQD-UHFFFAOYSA-N 0 3 374.401 0.704 10 5 FCBEHN C[C@@H]1[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001479379567 1263188842 /nfs/dbraw/zinc/18/88/42/1263188842.db2.gz YKFAFQRWLXMCHL-AQNFWKISSA-N 0 3 352.391 0.381 10 5 FCBEHN CC(C)CN(C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001480391503 1263430528 /nfs/dbraw/zinc/43/05/28/1263430528.db2.gz MFAVAZVWVSFKHC-GAGVYUBLSA-N 0 3 366.462 0.591 10 5 FCBEHN Cc1ccc(CN2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001316964343 1263496713 /nfs/dbraw/zinc/49/67/13/1263496713.db2.gz WSIRCFAGHDOPLO-IAGOWNOFSA-N 0 3 361.446 0.597 10 5 FCBEHN O=C(NC1(CCO)CN(CCCC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001485408086 1263504564 /nfs/dbraw/zinc/50/45/64/1263504564.db2.gz UWUFOBYYKDLJMW-HUUCEWRRSA-N 0 3 355.435 0.411 10 5 FCBEHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnccc1N(C)C ZINC001497256518 1263921217 /nfs/dbraw/zinc/92/12/17/1263921217.db2.gz ICAPDZAVQKZMNM-IUODEOHRSA-N 0 3 363.418 0.781 10 5 FCBEHN COCCOCCN1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001503723192 1264221128 /nfs/dbraw/zinc/22/11/28/1264221128.db2.gz FJEDYSSZBMDNDL-HUUCEWRRSA-N 0 3 371.434 0.008 10 5 FCBEHN CN1CC[C@](O)(CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC001556106433 1268814403 /nfs/dbraw/zinc/81/44/03/1268814403.db2.gz MSKGWTXMHSNNBT-INIZCTEOSA-N 0 3 360.374 0.031 10 5 FCBEHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC001556106041 1268814786 /nfs/dbraw/zinc/81/47/86/1268814786.db2.gz CCTOSAJKSOEQPQ-HNNXBMFYSA-N 0 3 354.338 0.489 10 5 FCBEHN CCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051713 1269014230 /nfs/dbraw/zinc/01/42/30/1269014230.db2.gz YEEQEOQDWIPAMM-STQMWFEESA-N 0 3 351.407 0.988 10 5 FCBEHN NC(=O)N1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001342420548 1269465720 /nfs/dbraw/zinc/46/57/20/1269465720.db2.gz LNSFKNVRWVMUSI-UHFFFAOYSA-N 0 3 356.404 0.501 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC001566454008 1269644509 /nfs/dbraw/zinc/64/45/09/1269644509.db2.gz WERSPJJAWHQHNU-ZIAGYGMSSA-N 0 3 352.366 0.868 10 5 FCBEHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001569360843 1269778250 /nfs/dbraw/zinc/77/82/50/1269778250.db2.gz CORNVDAWSZLZCH-RISCZKNCSA-N 0 3 363.370 0.957 10 5 FCBEHN CN1CC[C@](O)(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC001632382824 1282171410 /nfs/dbraw/zinc/17/14/10/1282171410.db2.gz KYOAGNIJUJGRKV-INIZCTEOSA-N 0 3 351.359 0.553 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(N3CCN(C)CC3)CC2)n1 ZINC001635901144 1282441107 /nfs/dbraw/zinc/44/11/07/1282441107.db2.gz KOZFBSAROULVQG-UHFFFAOYSA-N 0 3 350.423 0.663 10 5 FCBEHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC(N[C@H]2CCOC2)C1 ZINC001635941445 1282443850 /nfs/dbraw/zinc/44/38/50/1282443850.db2.gz LTKZCXLWISYVAH-LBPRGKRZSA-N 0 3 357.370 0.983 10 5 FCBEHN O=C(CNC(=O)COc1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC001636608864 1282523773 /nfs/dbraw/zinc/52/37/73/1282523773.db2.gz CYKAOWCKJINWLQ-UHFFFAOYSA-N 0 3 364.402 0.692 10 5 FCBEHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCC1 ZINC001638122074 1282662257 /nfs/dbraw/zinc/66/22/57/1282662257.db2.gz DTLAZKHFYISGPN-ZDUSSCGKSA-N 0 3 365.390 0.289 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C ZINC001638909151 1282733837 /nfs/dbraw/zinc/73/38/37/1282733837.db2.gz ADNFAVXFZKZSPW-CYBMUJFWSA-N 0 3 370.431 0.426 10 5 FCBEHN CN(C)Cc1ccoc1C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703577909 1286119621 /nfs/dbraw/zinc/11/96/21/1286119621.db2.gz DTBCZIIYMZRCEP-CHWSQXEVSA-N 0 3 352.391 0.585 10 5 FCBEHN Cc1nc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001731357179 1288552754 /nfs/dbraw/zinc/55/27/54/1288552754.db2.gz DQPRKVVMXNTNAX-HUUCEWRRSA-N 0 3 367.475 0.741 10 5 FCBEHN COc1ccc(CN2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001732322053 1288580986 /nfs/dbraw/zinc/58/09/86/1288580986.db2.gz XBFAUMHERAWYEF-HUUCEWRRSA-N 0 3 363.418 0.869 10 5 FCBEHN CCn1ccc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)n1 ZINC001733466695 1288610885 /nfs/dbraw/zinc/61/08/85/1288610885.db2.gz JRHZOQQIODVNEW-ZIAGYGMSSA-N 0 3 351.407 0.323 10 5 FCBEHN CC(C)(C)CNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001700105491 1289584716 /nfs/dbraw/zinc/58/47/16/1289584716.db2.gz IDBFWCVAMRPYEG-ZIAGYGMSSA-N 0 3 366.462 0.738 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001620549298 1289999224 /nfs/dbraw/zinc/99/92/24/1289999224.db2.gz XOQHAOBTOPNCAE-ZDUSSCGKSA-N 0 3 362.390 0.802 10 5 FCBEHN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564202 1290001713 /nfs/dbraw/zinc/00/17/13/1290001713.db2.gz CXZQUNUUHREBIL-FMKPAKJESA-N 0 3 365.434 0.923 10 5 FCBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001652655949 1291289659 /nfs/dbraw/zinc/28/96/59/1291289659.db2.gz VOWKVGKBMCAAGV-OAHLLOKOSA-N 0 3 350.379 0.410 10 5 FCBEHN C[C@]1(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)COC(=O)N1 ZINC001655613860 1291477653 /nfs/dbraw/zinc/47/76/53/1291477653.db2.gz WEEPORUJYNCBHE-MRXNPFEDSA-N 0 3 350.375 0.967 10 5 FCBEHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001168339409 850582193 /nfs/dbraw/zinc/58/21/93/850582193.db2.gz MNECCCPLHCGGFA-UHFFFAOYSA-N 0 3 357.432 0.675 10 5 FCBEHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1[nH]cnc1C(F)(F)F ZINC001284611703 864581771 /nfs/dbraw/zinc/58/17/71/864581771.db2.gz CWUUWGPZJFJSFG-HTQZYQBOSA-N 0 3 363.296 0.672 10 5 FCBEHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nc[nH]c1C(F)(F)F ZINC001284611703 864581777 /nfs/dbraw/zinc/58/17/77/864581777.db2.gz CWUUWGPZJFJSFG-HTQZYQBOSA-N 0 3 363.296 0.672 10 5 FCBEHN O=c1c([N+](=O)[O-])c(N2CCN(C[C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000301519807 214756105 /nfs/dbraw/zinc/75/61/05/214756105.db2.gz CXSISASSOWPEQR-ZDUSSCGKSA-N 0 3 359.386 0.761 10 5 FCBEHN CN(CC(=O)NC[C@@H]1CCCN1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265719858 210206871 /nfs/dbraw/zinc/20/68/71/210206871.db2.gz YSJGXEDROALFLE-ZDUSSCGKSA-N 0 3 370.431 0.426 10 5 FCBEHN Cc1nc(C[C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000246622749 209392665 /nfs/dbraw/zinc/39/26/65/209392665.db2.gz ADERKISSPOVMFV-GXTWGEPZSA-N 0 3 350.379 0.798 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000419320349 246097438 /nfs/dbraw/zinc/09/74/38/246097438.db2.gz DOSBPFIDWQSOJF-FMKPAKJESA-N 0 3 353.419 0.721 10 5 FCBEHN CN(C)Cc1ccc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000114415517 208313783 /nfs/dbraw/zinc/31/37/83/208313783.db2.gz DTMSBMCVPKEIDV-UHFFFAOYSA-N 0 3 373.417 0.597 10 5 FCBEHN Cc1cc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)cc([N+](=O)[O-])c1F ZINC000180077450 209090588 /nfs/dbraw/zinc/09/05/88/209090588.db2.gz HHLKSKWXDOPLIZ-NSHDSACASA-N 0 3 361.395 0.993 10 5 FCBEHN CN1CCC[C@H](N2CCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000301292432 488878357 /nfs/dbraw/zinc/87/83/57/488878357.db2.gz NYNDIKRPGDWQCT-AWEZNQCLSA-N 0 3 372.429 0.819 10 5 FCBEHN CN(CCO)C1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302043078 488886687 /nfs/dbraw/zinc/88/66/87/488886687.db2.gz OHTVOJJFQHZXSC-UHFFFAOYSA-N 0 3 357.432 0.891 10 5 FCBEHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000261919736 488542125 /nfs/dbraw/zinc/54/21/25/488542125.db2.gz UVXPWWIQTMWEKZ-UHFFFAOYSA-N 0 3 362.386 0.387 10 5 FCBEHN COCCN1CC[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273090228 488631066 /nfs/dbraw/zinc/63/10/66/488631066.db2.gz MNUIQNNMOHKDDQ-ZDUSSCGKSA-N 0 3 372.447 0.183 10 5 FCBEHN Cc1c(C(=O)N2CCC[C@H]2CN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000268091204 488839131 /nfs/dbraw/zinc/83/91/31/488839131.db2.gz GFXXBALZNDGVRE-NSHDSACASA-N 0 3 370.431 0.717 10 5 FCBEHN COc1ccc(NC(=O)CCN2CCN(CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492312 489570893 /nfs/dbraw/zinc/57/08/93/489570893.db2.gz PYFREOQLVQPEQW-CYBMUJFWSA-N 0 3 366.418 0.930 10 5 FCBEHN COc1cnccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000478468740 490021254 /nfs/dbraw/zinc/02/12/54/490021254.db2.gz JYYYCLTZCJPBIF-UHFFFAOYSA-N 0 3 360.374 0.852 10 5 FCBEHN C[C@@H]1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551506 491315121 /nfs/dbraw/zinc/31/51/21/491315121.db2.gz AZHYNPFVABWJIH-XOKHGSTOSA-N 0 3 373.413 0.931 10 5 FCBEHN CNC(=O)CCOC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000536379810 490573440 /nfs/dbraw/zinc/57/34/40/490573440.db2.gz VHYKVXDZVSUOBO-UHFFFAOYSA-N 0 3 352.391 0.374 10 5 FCBEHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958103 490732375 /nfs/dbraw/zinc/73/23/75/490732375.db2.gz VLTLGWDMZFOHDR-BDJLRTHQSA-N 0 3 368.390 0.221 10 5 FCBEHN O=C(CNC1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518411680 490940475 /nfs/dbraw/zinc/94/04/75/490940475.db2.gz VEBQOUUMKVBXTP-UHFFFAOYSA-N 0 3 368.415 0.180 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000559794054 491500508 /nfs/dbraw/zinc/50/05/08/491500508.db2.gz KXXQJBOBYGFXEW-UHFFFAOYSA-N 0 3 364.402 0.685 10 5 FCBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000585814924 491730787 /nfs/dbraw/zinc/73/07/87/491730787.db2.gz VSSQKOWQKGKXQQ-GJZGRUSLSA-N 0 3 364.402 0.468 10 5 FCBEHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588001075 491736991 /nfs/dbraw/zinc/73/69/91/491736991.db2.gz LCSSMKAQOZEZCS-OAHLLOKOSA-N 0 3 363.418 0.412 10 5 FCBEHN CN1CC[C@@](O)(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680477 491764832 /nfs/dbraw/zinc/76/48/32/491764832.db2.gz SZIVLJOSNXQRBV-QGZVFWFLSA-N 0 3 361.402 0.984 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000590537676 491778445 /nfs/dbraw/zinc/77/84/45/491778445.db2.gz HIKOXWGBMQMNEP-KRWDZBQOSA-N 0 3 374.401 0.704 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592309614 491835872 /nfs/dbraw/zinc/83/58/72/491835872.db2.gz SLIAJTJFJSSWNS-LLVKDONJSA-N 0 3 363.374 0.112 10 5 FCBEHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919334 491872171 /nfs/dbraw/zinc/87/21/71/491872171.db2.gz XQAFRTZZHLTBLG-ZLKJLUDKSA-N 0 3 371.415 0.660 10 5 FCBEHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595986710 491969189 /nfs/dbraw/zinc/96/91/89/491969189.db2.gz RREVZNCWFDYWJJ-NSHDSACASA-N 0 3 374.405 0.470 10 5 FCBEHN CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000597947589 492074586 /nfs/dbraw/zinc/07/45/86/492074586.db2.gz ZKRFPOIWUJAYSZ-HNNXBMFYSA-N 0 3 363.418 0.947 10 5 FCBEHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106557 492135943 /nfs/dbraw/zinc/13/59/43/492135943.db2.gz VKHSXAAQJZQWTA-VHSXEESVSA-N 0 3 357.388 0.785 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)n1 ZINC000617407224 492166990 /nfs/dbraw/zinc/16/69/90/492166990.db2.gz HUAOSVLRTXATBV-ZDUSSCGKSA-N 0 3 350.423 0.663 10 5 FCBEHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000599656405 492197016 /nfs/dbraw/zinc/19/70/16/492197016.db2.gz IPQDNJZBMAOFTB-YJNKXOJESA-N 0 3 352.391 0.816 10 5 FCBEHN CN(CC(=O)N[C@H]1CCCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988429 492230360 /nfs/dbraw/zinc/23/03/60/492230360.db2.gz IVYYLJGUGWUBRC-LBPRGKRZSA-N 0 3 370.431 0.426 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197719 492281186 /nfs/dbraw/zinc/28/11/86/492281186.db2.gz ZYTDGQLPUIHZNX-UHFFFAOYSA-N 0 3 360.374 0.782 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592083115 546944316 /nfs/dbraw/zinc/94/43/16/546944316.db2.gz QHPGXZRUMUKHMC-JTQLQIEISA-N 0 3 374.394 0.474 10 5 FCBEHN COc1cccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592870386 546958939 /nfs/dbraw/zinc/95/89/39/546958939.db2.gz CEJFXDFEVRKVIK-LLVKDONJSA-N 0 3 350.375 0.795 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000592882878 546959828 /nfs/dbraw/zinc/95/98/28/546959828.db2.gz ZTLGXSHYSNHNLD-VIFPVBQESA-N 0 3 353.354 0.508 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000592879466 546959892 /nfs/dbraw/zinc/95/98/92/546959892.db2.gz LWTDFWFKTBSORP-GFCCVEGCSA-N 0 3 350.375 0.552 10 5 FCBEHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000593545453 546973065 /nfs/dbraw/zinc/97/30/65/546973065.db2.gz DXBXSSSJWPRPNR-AWEZNQCLSA-N 0 3 369.447 0.390 10 5 FCBEHN CN(C)CCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593551339 546973721 /nfs/dbraw/zinc/97/37/21/546973721.db2.gz YQPOLTKYVWRLQY-UHFFFAOYSA-N 0 3 358.420 0.721 10 5 FCBEHN CCN(CC)S(=O)(=O)c1ccc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000594698596 547003364 /nfs/dbraw/zinc/00/33/64/547003364.db2.gz NKRBWBWZOFROML-GFCCVEGCSA-N 0 3 373.431 0.993 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1=O ZINC000844765892 670940811 /nfs/dbraw/zinc/94/08/11/670940811.db2.gz UVDPPGIILGTKNR-UHFFFAOYSA-N 0 3 356.329 0.719 10 5 FCBEHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1occc1CN(C)C ZINC001745308795 1181930100 /nfs/dbraw/zinc/93/01/00/1181930100.db2.gz ZABIZZBVNOAHGP-CHWSQXEVSA-N 0 3 352.391 0.585 10 5 FCBEHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594394308 1196718306 /nfs/dbraw/zinc/71/83/06/1196718306.db2.gz WVZWUOKSSUFIGV-QWHCGFSZSA-N 0 3 372.381 0.799 10 5 FCBEHN CC(C)CNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001501735615 1264143485 /nfs/dbraw/zinc/14/34/85/1264143485.db2.gz SPBYTIVESQEZKK-ZIAGYGMSSA-N 0 3 352.435 0.348 10 5 FCBEHN Cc1cncn1CC(=O)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001511716361 1264580017 /nfs/dbraw/zinc/58/00/17/1264580017.db2.gz KUUQYZGCDPJYQL-ZIAGYGMSSA-N 0 3 351.407 0.552 10 5 FCBEHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198650 1269054704 /nfs/dbraw/zinc/05/47/04/1269054704.db2.gz WJGTVZWVKADCIW-CABCVRRESA-N 0 3 357.374 0.879 10 5 FCBEHN CNS(=O)(=O)c1ccc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001559290493 1269166019 /nfs/dbraw/zinc/16/60/19/1269166019.db2.gz PPKLKINGLFCFPR-JTQLQIEISA-N 0 3 356.404 0.070 10 5 FCBEHN Cc1csc(NC(=O)CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001568847944 1269751081 /nfs/dbraw/zinc/75/10/81/1269751081.db2.gz BXCMWRXLHDCECD-WUNPDAOYSA-N 0 3 353.404 0.317 10 5 FCBEHN COc1cccc(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001570492364 1269894539 /nfs/dbraw/zinc/89/45/39/1269894539.db2.gz ZNBDTZRDMLLHGF-ZIAGYGMSSA-N 0 3 364.402 0.199 10 5 FCBEHN CN1CC[C@@](O)(CNC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC001632382068 1282171640 /nfs/dbraw/zinc/17/16/40/1282171640.db2.gz GYIXAYKDFVUMPW-CYBMUJFWSA-N 0 3 373.207 0.736 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N[C@@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001639135123 1282751732 /nfs/dbraw/zinc/75/17/32/1282751732.db2.gz FEYCXDQAVOJLIK-CQSZACIVSA-N 0 3 364.402 0.790 10 5 FCBEHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC(N[C@@H]2CCOC2)C1 ZINC001639365045 1282774625 /nfs/dbraw/zinc/77/46/25/1282774625.db2.gz MDGIHWBOODSGSR-LLVKDONJSA-N 0 3 358.358 0.378 10 5 FCBEHN COc1cc(OCC(=O)N[C@@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001641852907 1282976348 /nfs/dbraw/zinc/97/63/48/1282976348.db2.gz QQNYXWYLQSJPQT-GFCCVEGCSA-N 0 3 353.375 0.555 10 5 FCBEHN Cc1nccn1CC(=O)NCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001705442831 1286394766 /nfs/dbraw/zinc/39/47/66/1286394766.db2.gz GSBSVGIQBFBVNL-ZIAGYGMSSA-N 0 3 363.418 0.602 10 5 FCBEHN O=C(NC1(CO)CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001725018123 1288458713 /nfs/dbraw/zinc/45/87/13/1288458713.db2.gz WHMPLINOQPQGDI-HUUCEWRRSA-N 0 3 351.378 0.934 10 5 FCBEHN CN(CC(=O)Nc1cnccn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001725422179 1288467135 /nfs/dbraw/zinc/46/71/35/1288467135.db2.gz PNMVWPFHSWLOEV-CHWSQXEVSA-N 0 3 362.390 0.003 10 5 FCBEHN CN1CCCC[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001618398648 1289902576 /nfs/dbraw/zinc/90/25/76/1289902576.db2.gz XAIAYOGWFIEQCJ-ZDUSSCGKSA-N 0 3 362.386 0.921 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC001668822499 1291975396 /nfs/dbraw/zinc/97/53/96/1291975396.db2.gz YXVLNYIAHRICPV-LEINQQNWSA-N 0 3 368.340 0.831 10 5 FCBEHN CN(C)S(=O)(=O)c1ccc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001164234042 850398363 /nfs/dbraw/zinc/39/83/63/850398363.db2.gz HHEYTVYWXOBGPX-LLVKDONJSA-N 0 3 370.431 0.412 10 5 FCBEHN CN(CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)CCOCCO ZINC001175823705 850774035 /nfs/dbraw/zinc/77/40/35/850774035.db2.gz XTYJXERQQMTBRX-UHFFFAOYSA-N 0 3 350.375 0.747 10 5 FCBEHN CCn1nncc1CN1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319019644 867806956 /nfs/dbraw/zinc/80/69/56/867806956.db2.gz ZDZRESPNGXDUKI-HUUCEWRRSA-N 0 3 350.423 0.682 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000265113862 210058978 /nfs/dbraw/zinc/05/89/78/210058978.db2.gz YGSDKRQJDRIPQL-UHFFFAOYSA-N 0 3 373.431 0.993 10 5 FCBEHN CN(C)C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000183666489 209150020 /nfs/dbraw/zinc/15/00/20/209150020.db2.gz WZMGXUIIWADPOK-HNNXBMFYSA-N 0 3 357.432 0.730 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N2CCN3CCC2CC3)cc1[N+](=O)[O-] ZINC000375508533 217276893 /nfs/dbraw/zinc/27/68/93/217276893.db2.gz JIXHGCSLADHCEM-UHFFFAOYSA-N 0 3 362.386 0.640 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000419326431 246099378 /nfs/dbraw/zinc/09/93/78/246099378.db2.gz CGIWJDCRCVTPSY-ILXRZTDVSA-N 0 3 353.419 0.721 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1CN1CCC[C@H]1CO ZINC000468181598 249885670 /nfs/dbraw/zinc/88/56/70/249885670.db2.gz BHJWSQYYKDOCLH-HNNXBMFYSA-N 0 3 374.401 0.459 10 5 FCBEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246777262 488475354 /nfs/dbraw/zinc/47/53/54/488475354.db2.gz SFRJDZPNRZEMAM-GOEBONIOSA-N 0 3 363.422 0.773 10 5 FCBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000246855980 488476822 /nfs/dbraw/zinc/47/68/22/488476822.db2.gz FHXZEYIVTWCGEK-CVEARBPZSA-N 0 3 351.403 0.741 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000249597454 488513171 /nfs/dbraw/zinc/51/31/71/488513171.db2.gz XEXSXIQNJVCBLR-CFVMTHIKSA-N 0 3 352.416 0.922 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272221209 488568614 /nfs/dbraw/zinc/56/86/14/488568614.db2.gz PTOXFJNPHFVITG-UHFFFAOYSA-N 0 3 350.375 0.643 10 5 FCBEHN CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)NCCN(C)C ZINC000127878496 488620677 /nfs/dbraw/zinc/62/06/77/488620677.db2.gz ZAUVNHGSLYDEBV-ZDUSSCGKSA-N 0 3 365.434 0.999 10 5 FCBEHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264021444 488643581 /nfs/dbraw/zinc/64/35/81/488643581.db2.gz OUAGSFYEXFSQOS-GFCCVEGCSA-N 0 3 350.423 0.774 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC[NH+](C)C ZINC000273579222 488659816 /nfs/dbraw/zinc/65/98/16/488659816.db2.gz PCMXAUKWALGHNN-SNVBAGLBSA-N 0 3 359.404 1.000 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277937360 488793612 /nfs/dbraw/zinc/79/36/12/488793612.db2.gz ZCFYGXPMWGYKIJ-MRVWCRGKSA-N 0 3 369.422 0.997 10 5 FCBEHN Cc1cc(OCC(=O)N2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000280424507 489006697 /nfs/dbraw/zinc/00/66/97/489006697.db2.gz BUKJFAUKGNVYQT-UHFFFAOYSA-N 0 3 350.419 0.988 10 5 FCBEHN O=C(CCN1CCC[C@]2(C1)NC(=O)NC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000366118901 489147420 /nfs/dbraw/zinc/14/74/20/489147420.db2.gz AZYUCQGEYPIGND-MRXNPFEDSA-N 0 3 361.358 0.597 10 5 FCBEHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428950305 489668395 /nfs/dbraw/zinc/66/83/95/489668395.db2.gz DQSWTSXVNAGJHF-QGZVFWFLSA-N 0 3 374.401 0.282 10 5 FCBEHN COc1cnccc1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000478488872 490022119 /nfs/dbraw/zinc/02/21/19/490022119.db2.gz KQHOXRPWPWJNKX-UHFFFAOYSA-N 0 3 360.374 0.934 10 5 FCBEHN CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000464927696 490073131 /nfs/dbraw/zinc/07/31/31/490073131.db2.gz SHGLJFGUUANOTJ-HNNXBMFYSA-N 0 3 363.418 0.947 10 5 FCBEHN C[C@@H]1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551504 491315294 /nfs/dbraw/zinc/31/52/94/491315294.db2.gz AZHYNPFVABWJIH-COXVUDFISA-N 0 3 373.413 0.931 10 5 FCBEHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743071 491647604 /nfs/dbraw/zinc/64/76/04/491647604.db2.gz DOUGKYFDXPITNZ-NWDGAFQWSA-N 0 3 358.416 0.890 10 5 FCBEHN CCN1CCN([C@@H](C)CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000577847916 491656982 /nfs/dbraw/zinc/65/69/82/491656982.db2.gz OHATUSPHGBUZBT-ZDUSSCGKSA-N 0 3 365.434 1.523 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442699 491776634 /nfs/dbraw/zinc/77/66/34/491776634.db2.gz ADZXFORLQOPHFK-UKRRQHHQSA-N 0 3 361.402 0.557 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590447223 491777057 /nfs/dbraw/zinc/77/70/57/491777057.db2.gz WKNRKVZXQNTUSD-TZMCWYRMSA-N 0 3 362.386 0.496 10 5 FCBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000591986363 491826767 /nfs/dbraw/zinc/82/67/67/491826767.db2.gz UWSWIUYRQWNDMP-SNVBAGLBSA-N 0 3 351.363 0.333 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)nc1 ZINC000595384425 491926354 /nfs/dbraw/zinc/92/63/54/491926354.db2.gz KVNHXVMCFKUOLV-CYBMUJFWSA-N 0 3 356.404 0.210 10 5 FCBEHN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000595384890 491926681 /nfs/dbraw/zinc/92/66/81/491926681.db2.gz PMUIBAXPUQINRR-INIZCTEOSA-N 0 3 369.443 0.956 10 5 FCBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@H]4CNCCO4)CC3)nc2c1 ZINC000595891434 491959592 /nfs/dbraw/zinc/95/95/92/491959592.db2.gz HYNDJKDLADLHFN-CQSZACIVSA-N 0 3 360.418 0.972 10 5 FCBEHN COC(=O)COc1ccc(CN2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596108140 491975757 /nfs/dbraw/zinc/97/57/57/491975757.db2.gz VOSVNIDSWIZUJA-UHFFFAOYSA-N 0 3 351.359 0.321 10 5 FCBEHN Nc1nccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000597989956 492076289 /nfs/dbraw/zinc/07/62/89/492076289.db2.gz IQFGVVWBALGIPL-CQSZACIVSA-N 0 3 371.397 1.069 10 5 FCBEHN CN(C)CCNC(=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000609163351 492199159 /nfs/dbraw/zinc/19/91/59/492199159.db2.gz CVELBYLBPPXGLH-UHFFFAOYSA-N 0 3 361.362 0.116 10 5 FCBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(CN)CCOCC1 ZINC000599897096 492215457 /nfs/dbraw/zinc/21/54/57/492215457.db2.gz FYUWDMLPVRYVES-UHFFFAOYSA-N 0 3 350.375 0.774 10 5 FCBEHN O=C([C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369550 492243334 /nfs/dbraw/zinc/24/33/34/492243334.db2.gz SXQYLHQLIMQXSV-UKRRQHHQSA-N 0 3 351.407 0.487 10 5 FCBEHN CN(C)CCN1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1=O ZINC000593234367 546964192 /nfs/dbraw/zinc/96/41/92/546964192.db2.gz GGESXQKKNGAWNX-UHFFFAOYSA-N 0 3 366.443 0.919 10 5 FCBEHN Cc1ccc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593620548 546984825 /nfs/dbraw/zinc/98/48/25/546984825.db2.gz BMAICJXBSLYWSE-UHFFFAOYSA-N 0 3 370.431 0.298 10 5 FCBEHN NC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450702 546998994 /nfs/dbraw/zinc/99/89/94/546998994.db2.gz RIAHDVOHFAGRAU-VXNVDRBHSA-N 0 3 364.280 0.798 10 5 FCBEHN NC[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000594450607 546999320 /nfs/dbraw/zinc/99/93/20/546999320.db2.gz GYGFXRDTHUBMLK-QMMMGPOBSA-N 0 3 368.699 0.984 10 5 FCBEHN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594474564 547000167 /nfs/dbraw/zinc/00/01/67/547000167.db2.gz IWMQLUVQJYEHBZ-PHIMTYICSA-N 0 3 371.415 0.985 10 5 FCBEHN C[C@@H](CN(C)CCC[NH+](C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594803936 547012808 /nfs/dbraw/zinc/01/28/08/547012808.db2.gz RSVIYZOUJKRVNW-LBPRGKRZSA-N 0 3 359.452 0.540 10 5 FCBEHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CCN(C)C)C(=O)C1 ZINC000593052072 1192871318 /nfs/dbraw/zinc/87/13/18/1192871318.db2.gz MQTDTYXYGWHULU-ZDUSSCGKSA-N 0 3 363.418 0.628 10 5 FCBEHN Cc1ccc(NC(=O)CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(F)c1 ZINC001269411415 1187847185 /nfs/dbraw/zinc/84/71/85/1187847185.db2.gz GKOSZQSHBHMXND-BXUZGUMPSA-N 0 3 364.377 0.976 10 5 FCBEHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393811 1196718951 /nfs/dbraw/zinc/71/89/51/1196718951.db2.gz QUPNPMPCSBHPMB-NWDGAFQWSA-N 0 3 358.354 0.740 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592878069 1196740193 /nfs/dbraw/zinc/74/01/93/1196740193.db2.gz CUPBPVBVHPGNDE-SNVBAGLBSA-N 0 3 360.374 0.663 10 5 FCBEHN CN(C)C[C@@H](CO)NC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000854468257 1209629713 /nfs/dbraw/zinc/62/97/13/1209629713.db2.gz PPHSVANYHRMELJ-VIFPVBQESA-N 0 3 372.328 0.072 10 5 FCBEHN O=C(CCc1c[nH]cn1)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001531830230 1267151718 /nfs/dbraw/zinc/15/17/18/1267151718.db2.gz YDGBYEYZSFFEHX-HUUCEWRRSA-N 0 3 363.418 0.752 10 5 FCBEHN CN(C)CC1(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001556137189 1268817958 /nfs/dbraw/zinc/81/79/58/1268817958.db2.gz HWVIIKCGSAJFSU-UHFFFAOYSA-N 0 3 355.416 0.827 10 5 FCBEHN CC(C)(O)CN1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001559254873 1269164855 /nfs/dbraw/zinc/16/48/55/1269164855.db2.gz ZUOLYZVTALYNSR-JTQLQIEISA-N 0 3 358.420 0.499 10 5 FCBEHN O=C(NCCCN1CCN(Cc2cncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001566640121 1269651889 /nfs/dbraw/zinc/65/18/89/1269651889.db2.gz UAPGYWLXNSYEJB-ZIAGYGMSSA-N 0 3 353.448 0.432 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC001715815058 1287362136 /nfs/dbraw/zinc/36/21/36/1287362136.db2.gz NEUTWOWIELYCLC-GEYXIOIISA-N 0 3 368.340 0.831 10 5 FCBEHN CCc1noc(C)c1CN1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717350957 1287419712 /nfs/dbraw/zinc/41/97/12/1287419712.db2.gz XROFPVQSJQBMKI-IUODEOHRSA-N 0 3 366.418 0.654 10 5 FCBEHN CN1CC[C@@](O)(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC001632382827 1282170436 /nfs/dbraw/zinc/17/04/36/1282170436.db2.gz KYOAGNIJUJGRKV-MRXNPFEDSA-N 0 3 351.359 0.553 10 5 FCBEHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403852 1282243752 /nfs/dbraw/zinc/24/37/52/1282243752.db2.gz NJXJXYGRPHPFPR-XJKSGUPXSA-N 0 3 350.419 0.770 10 5 FCBEHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC(N[C@@H]2CCOC2)C1 ZINC001635941443 1282443096 /nfs/dbraw/zinc/44/30/96/1282443096.db2.gz LTKZCXLWISYVAH-GFCCVEGCSA-N 0 3 357.370 0.983 10 5 FCBEHN Cc1cncn1CC(=O)N1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001705443133 1286394691 /nfs/dbraw/zinc/39/46/91/1286394691.db2.gz QOYLGLLAMKSKAI-ZIAGYGMSSA-N 0 3 363.418 0.602 10 5 FCBEHN CCn1nc(C)c(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)n1 ZINC001733466448 1288610730 /nfs/dbraw/zinc/61/07/30/1288610730.db2.gz CVACHGXBSVNOMD-TZMCWYRMSA-N 0 3 366.422 0.027 10 5 FCBEHN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001644702753 1290974817 /nfs/dbraw/zinc/97/48/17/1290974817.db2.gz QLGKTSKDEFIUQQ-OGHNNQOOSA-N 0 3 374.397 0.755 10 5 FCBEHN CS(=O)(=O)c1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001652687523 1291291247 /nfs/dbraw/zinc/29/12/47/1291291247.db2.gz ZEIILKAFJUMJDJ-LLVKDONJSA-N 0 3 369.399 0.201 10 5 FCBEHN CS(=O)(=O)NC[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001655527841 1291471485 /nfs/dbraw/zinc/47/14/85/1291471485.db2.gz UATNQLVVIOCRHU-GFCCVEGCSA-N 0 3 370.431 0.795 10 5 FCBEHN CS(=O)(=O)CCCN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001673009734 1292097258 /nfs/dbraw/zinc/09/72/58/1292097258.db2.gz ZYBDPCVQAJJUAS-CHWSQXEVSA-N 0 3 359.448 0.011 10 5 FCBEHN CN(CC1CC1)C(=O)CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265192113 859454806 /nfs/dbraw/zinc/45/48/06/859454806.db2.gz PRGGKHIZVQIYGF-HUUCEWRRSA-N 0 3 352.435 0.443 10 5 FCBEHN CC(=O)Nc1nc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001268790073 859541435 /nfs/dbraw/zinc/54/14/35/859541435.db2.gz ABDRAXRRTCXZJT-VXGBXAGGSA-N 0 3 355.420 0.705 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NCCN2CCCCC2)n1 ZINC001297879488 866066494 /nfs/dbraw/zinc/06/64/94/866066494.db2.gz CHDNVINPSLMKIX-UHFFFAOYSA-N 0 3 352.395 0.143 10 5 FCBEHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC001317541391 867540393 /nfs/dbraw/zinc/54/03/93/867540393.db2.gz YUAHZYWYESMXKE-HUUCEWRRSA-N 0 3 354.451 0.882 10 5 FCBEHN CN(CCN1CCN(CCc2ccns2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317818855 867561204 /nfs/dbraw/zinc/56/12/04/867561204.db2.gz KFXOEGFYKQNBTI-HUUCEWRRSA-N 0 3 367.475 0.427 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1F ZINC001321056653 868353219 /nfs/dbraw/zinc/35/32/19/868353219.db2.gz IMHUNLSWZKCJTL-LAPROLRISA-N 0 3 350.350 0.691 10 5 FCBEHN Cc1ncsc1CN1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001328529587 871484259 /nfs/dbraw/zinc/48/42/59/871484259.db2.gz IFQBODAVHWRCTG-VXGBXAGGSA-N 0 3 354.432 0.560 10 5 FCBEHN COc1cc(OCC(=O)N2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000265273935 210085222 /nfs/dbraw/zinc/08/52/22/210085222.db2.gz MCYXPIYNLJLFQJ-UHFFFAOYSA-N 0 3 366.418 0.688 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](NC(N)=O)C1 ZINC000270574850 211227101 /nfs/dbraw/zinc/22/71/01/211227101.db2.gz BQCFQWZYEYVMNC-JTQLQIEISA-N 0 3 351.363 0.675 10 5 FCBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccnn2CCO)CC1 ZINC000090524111 208132089 /nfs/dbraw/zinc/13/20/89/208132089.db2.gz RZFNSASSCFDOLU-UHFFFAOYSA-N 0 3 361.402 0.825 10 5 FCBEHN CN(C)C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000116792215 208334315 /nfs/dbraw/zinc/33/43/15/208334315.db2.gz YNONYLDCGZBFER-ZDUSSCGKSA-N 0 3 360.374 0.578 10 5 FCBEHN Cn1cc(CN2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 ZINC000131847879 488649288 /nfs/dbraw/zinc/64/92/88/488649288.db2.gz USRHBGFGIVNGLF-UHFFFAOYSA-N 0 3 360.418 0.698 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000136133230 488676296 /nfs/dbraw/zinc/67/62/96/488676296.db2.gz PWTVDFXTXKQEEV-SWLSCSKDSA-N 0 3 361.406 0.958 10 5 FCBEHN C[C@@H]1CN(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCO1 ZINC000159772224 488787219 /nfs/dbraw/zinc/78/72/19/488787219.db2.gz XJXKYTNIRRZWIW-CQSZACIVSA-N 0 3 350.419 0.942 10 5 FCBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000286462983 489393878 /nfs/dbraw/zinc/39/38/78/489393878.db2.gz RKWZWZGMXYZYTQ-KBPBESRZSA-N 0 3 351.407 0.811 10 5 FCBEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290088 489566790 /nfs/dbraw/zinc/56/67/90/489566790.db2.gz VBGNPVJWDZLVIZ-UBHSHLNASA-N 0 3 356.379 0.195 10 5 FCBEHN O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960267 491279630 /nfs/dbraw/zinc/27/96/30/491279630.db2.gz ROLNDIQHJMUKHZ-MWLCHTKSSA-N 0 3 372.328 0.906 10 5 FCBEHN Cc1[nH]nc(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408080946 490243004 /nfs/dbraw/zinc/24/30/04/490243004.db2.gz TTZXVFKTHVIGKV-LLVKDONJSA-N 0 3 350.423 0.867 10 5 FCBEHN Cc1n[nH]c(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408080946 490243010 /nfs/dbraw/zinc/24/30/10/490243010.db2.gz TTZXVFKTHVIGKV-LLVKDONJSA-N 0 3 350.423 0.867 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000468181599 490373102 /nfs/dbraw/zinc/37/31/02/490373102.db2.gz BHJWSQYYKDOCLH-OAHLLOKOSA-N 0 3 374.401 0.459 10 5 FCBEHN COCCN1CC[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000541540950 490866020 /nfs/dbraw/zinc/86/60/20/490866020.db2.gz VPIDVAQRXMOCHX-ZDUSSCGKSA-N 0 3 372.447 0.183 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NCCN2CCCCCC2)n1 ZINC000562184539 491658372 /nfs/dbraw/zinc/65/83/72/491658372.db2.gz WDWLIYRCSPWPNU-UHFFFAOYSA-N 0 3 352.395 0.050 10 5 FCBEHN CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590441963 491776704 /nfs/dbraw/zinc/77/67/04/491776704.db2.gz DQJVKOMBHLUWRT-YNEHKIRRSA-N 0 3 362.386 0.955 10 5 FCBEHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000590441962 491776864 /nfs/dbraw/zinc/77/68/64/491776864.db2.gz DQJVKOMBHLUWRT-XQQFMLRXSA-N 0 3 362.386 0.955 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590445000 491777046 /nfs/dbraw/zinc/77/70/46/491777046.db2.gz PJUVNJYQMAZZQY-BXUZGUMPSA-N 0 3 360.370 0.483 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591945021 491825823 /nfs/dbraw/zinc/82/58/23/491825823.db2.gz SEHKUKQNMJUKBP-ZDUSSCGKSA-N 0 3 363.418 0.899 10 5 FCBEHN COC(=O)[C@@](C)(NC(=O)C(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000600526931 491867308 /nfs/dbraw/zinc/86/73/08/491867308.db2.gz IMCBASPTEGJOHP-OTYXRUKQSA-N 0 3 358.372 0.532 10 5 FCBEHN CCn1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])n1 ZINC000595384735 491926191 /nfs/dbraw/zinc/92/61/91/491926191.db2.gz LSVDUZVGZIHIRL-GFCCVEGCSA-N 0 3 373.435 0.031 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000595384779 491926923 /nfs/dbraw/zinc/92/69/23/491926923.db2.gz NLNKVTZXSFALLB-CYBMUJFWSA-N 0 3 373.406 0.954 10 5 FCBEHN Cn1cc(C(=O)N2CCOC3(CNC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596099323 491975473 /nfs/dbraw/zinc/97/54/73/491975473.db2.gz RKTHGZCZXLQTEL-UHFFFAOYSA-N 0 3 357.370 0.810 10 5 FCBEHN CCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597945607 492074260 /nfs/dbraw/zinc/07/42/60/492074260.db2.gz JOUFDGOBDRKZTI-NSHDSACASA-N 0 3 356.404 0.408 10 5 FCBEHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597990293 492076899 /nfs/dbraw/zinc/07/68/99/492076899.db2.gz KYWJPEFSLHBOBE-INIZCTEOSA-N 0 3 359.386 0.674 10 5 FCBEHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598535508 492103597 /nfs/dbraw/zinc/10/35/97/492103597.db2.gz DYGHTXZSFNSFBK-LBPRGKRZSA-N 0 3 352.395 0.288 10 5 FCBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC1CN(S(=O)(=O)N(C)C)C1 ZINC000599086838 492134167 /nfs/dbraw/zinc/13/41/67/492134167.db2.gz VDTPHQQZXROKCY-LBPRGKRZSA-N 0 3 356.448 0.996 10 5 FCBEHN CCn1cc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)c([N+](=O)[O-])n1 ZINC000592104704 546944370 /nfs/dbraw/zinc/94/43/70/546944370.db2.gz UDQJEOQYHHXGPS-UHFFFAOYSA-N 0 3 373.435 0.297 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592083223 546944390 /nfs/dbraw/zinc/94/43/90/546944390.db2.gz SAPGHLOVJSHCCJ-LBPRGKRZSA-N 0 3 370.431 0.476 10 5 FCBEHN Cc1ccc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592083117 546944489 /nfs/dbraw/zinc/94/44/89/546944489.db2.gz QHWOKUBOZAFVRH-GFCCVEGCSA-N 0 3 370.431 0.644 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594476682 546999957 /nfs/dbraw/zinc/99/99/57/546999957.db2.gz WRXQJUMPJUGSSB-KLPPZKSPSA-N 0 3 371.415 1.000 10 5 FCBEHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(=O)n2ccsc2n1 ZINC001480974642 1181859078 /nfs/dbraw/zinc/85/90/78/1181859078.db2.gz QUJUAOAAJXRLOG-VXGBXAGGSA-N 0 3 365.415 0.359 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592880882 1196740272 /nfs/dbraw/zinc/74/02/72/1196740272.db2.gz PDWFEUIILRDIOD-SNVBAGLBSA-N 0 3 364.358 0.516 10 5 FCBEHN CCOC(=O)c1cc(N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593486438 1196792316 /nfs/dbraw/zinc/79/23/16/1196792316.db2.gz XHFWGGWDLGZDAA-UHFFFAOYSA-N 0 3 364.402 0.982 10 5 FCBEHN C[C@@H]1[C@@H](CO)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809655 1199094295 /nfs/dbraw/zinc/09/42/95/1199094295.db2.gz BMMCGSACTYKNLO-HUUCEWRRSA-N 0 3 362.430 0.946 10 5 FCBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](CO)[C@H]1CO ZINC001196564433 1208090059 /nfs/dbraw/zinc/09/00/59/1208090059.db2.gz VQDWKUBSLLFJGJ-SWLSCSKDSA-N 0 3 365.386 0.958 10 5 FCBEHN N[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1F ZINC000852761052 1209562497 /nfs/dbraw/zinc/56/24/97/1209562497.db2.gz PRRNEJLDPZDXJV-HZPDHXFCSA-N 0 3 365.409 0.615 10 5 FCBEHN CN(C)Cc1ccoc1C(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001296574068 1262821134 /nfs/dbraw/zinc/82/11/34/1262821134.db2.gz AMPBONZURSOZBH-ZIAGYGMSSA-N 0 3 364.402 0.727 10 5 FCBEHN CNc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC001297879669 1262900165 /nfs/dbraw/zinc/90/01/65/1262900165.db2.gz HPOLRVFIWMSKTF-UHFFFAOYSA-N 0 3 363.418 0.968 10 5 FCBEHN Cc1ccncc1CN1CCN(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001494095968 1263754169 /nfs/dbraw/zinc/75/41/69/1263754169.db2.gz VWDOGYKYKJNYPK-IAGOWNOFSA-N 0 3 361.446 0.631 10 5 FCBEHN CN(CC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001498539830 1263976162 /nfs/dbraw/zinc/97/61/62/1263976162.db2.gz AQSFPMSCPXTSPT-HZPDHXFCSA-N 0 3 360.414 0.358 10 5 FCBEHN CN(CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC001506049344 1264288659 /nfs/dbraw/zinc/28/86/59/1264288659.db2.gz YFZABRKJGVOJTN-HUUCEWRRSA-N 0 3 360.414 0.549 10 5 FCBEHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420499 1265313192 /nfs/dbraw/zinc/31/31/92/1265313192.db2.gz CAOUTCBOMYKKKM-CABCVRRESA-N 0 3 361.406 0.377 10 5 FCBEHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420501 1265313229 /nfs/dbraw/zinc/31/32/29/1265313229.db2.gz CAOUTCBOMYKKKM-HUUCEWRRSA-N 0 3 361.406 0.377 10 5 FCBEHN Cc1nccn1CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001334766526 1267167993 /nfs/dbraw/zinc/16/79/93/1267167993.db2.gz FNCHEMPUHCVTIV-ZIAGYGMSSA-N 0 3 363.418 0.792 10 5 FCBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 ZINC001542656344 1267503286 /nfs/dbraw/zinc/50/32/86/1267503286.db2.gz ZZQYMFIEZUCASZ-OAHLLOKOSA-N 0 3 361.402 0.853 10 5 FCBEHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001559851169 1269178628 /nfs/dbraw/zinc/17/86/28/1269178628.db2.gz BYJBXIUXBXYJDK-GUTXKFCHSA-N 0 3 359.386 0.433 10 5 FCBEHN C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC001565609430 1269481224 /nfs/dbraw/zinc/48/12/24/1269481224.db2.gz ORKJRRKCMXFPSP-XJKSGUPXSA-N 0 3 350.419 0.628 10 5 FCBEHN O=C(NCCN1CCN(CCc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713074006 1287263658 /nfs/dbraw/zinc/26/36/58/1287263658.db2.gz GEOGMAGNDGJKJM-ZIAGYGMSSA-N 0 3 353.448 0.085 10 5 FCBEHN COc1ccc(C(=O)CNC(=O)C[C@@]2(O)CCCN(C)C2)cc1[N+](=O)[O-] ZINC001587091998 1282329548 /nfs/dbraw/zinc/32/95/48/1282329548.db2.gz YEAHJHLWFMSBKX-KRWDZBQOSA-N 0 3 365.386 0.749 10 5 FCBEHN CN1CCC(N(CCO)C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001640276722 1282850788 /nfs/dbraw/zinc/85/07/88/1282850788.db2.gz WBOHKSCQPXTEQQ-UHFFFAOYSA-N 0 3 374.401 0.704 10 5 FCBEHN C[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC001596175532 1286287721 /nfs/dbraw/zinc/28/77/21/1286287721.db2.gz PLMGOHFAOQSNRI-JSGCOSHPSA-N 0 3 362.434 0.670 10 5 FCBEHN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnn(-c2ccncc2)c1 ZINC001738506216 1289693203 /nfs/dbraw/zinc/69/32/03/1289693203.db2.gz ZRIXKPYEALJLOU-LHBIUNCVSA-N 0 3 370.369 0.335 10 5 FCBEHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001625504877 1290346105 /nfs/dbraw/zinc/34/61/05/1290346105.db2.gz HABBGLAKLOYTEG-CQSZACIVSA-N 0 3 359.386 0.967 10 5 FCBEHN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001739889096 1290424353 /nfs/dbraw/zinc/42/43/53/1290424353.db2.gz AQENTXUXBKRCOZ-ZIAGYGMSSA-N 0 3 363.418 0.752 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH]cn1 ZINC001630185337 1290650895 /nfs/dbraw/zinc/65/08/95/1290650895.db2.gz ZSQNMDXRYITOTM-UHFFFAOYSA-N 0 3 367.387 0.297 10 5 FCBEHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CN1C1CC1 ZINC001630423182 1290668650 /nfs/dbraw/zinc/66/86/50/1290668650.db2.gz LFFHDPVWGXJQLB-GHMZBOCLSA-N 0 3 357.374 0.926 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001653333259 1291336261 /nfs/dbraw/zinc/33/62/61/1291336261.db2.gz MPKBPQOTFFKCKI-OLZOCXBDSA-N 0 3 351.407 0.942 10 5 FCBEHN COC1(OC)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC001654637921 1291424150 /nfs/dbraw/zinc/42/41/50/1291424150.db2.gz ONGXGLQVUMFOIH-CQSZACIVSA-N 0 3 353.375 0.979 10 5 FCBEHN CN(C)CC1(O)CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001655211470 1291460623 /nfs/dbraw/zinc/46/06/23/1291460623.db2.gz IHBLDRSYEXTYHY-UHFFFAOYSA-N 0 3 371.459 0.757 10 5 FCBEHN COCCN(C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC001655588566 1291476037 /nfs/dbraw/zinc/47/60/37/1291476037.db2.gz FRFKQQCLEIEXRP-NSHDSACASA-N 0 3 355.370 0.720 10 5 FCBEHN Cc1nc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)cs1 ZINC001271037873 859886433 /nfs/dbraw/zinc/88/64/33/859886433.db2.gz CXUVMZLCFCDKLB-CHWSQXEVSA-N 0 3 354.432 0.872 10 5 FCBEHN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(=O)NC(C)C)CC1 ZINC001317004311 867515849 /nfs/dbraw/zinc/51/58/49/867515849.db2.gz SLAOHLXQZZSFES-HUUCEWRRSA-N 0 3 354.451 0.879 10 5 FCBEHN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000367387702 216115847 /nfs/dbraw/zinc/11/58/47/216115847.db2.gz HNGFFJMDLHNFGA-UHFFFAOYSA-N 0 3 368.415 0.180 10 5 FCBEHN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415869452 245515959 /nfs/dbraw/zinc/51/59/59/245515959.db2.gz RALDSDTXOPBQGP-GFCCVEGCSA-N 0 3 364.402 0.935 10 5 FCBEHN CN(CC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1[N+](=O)[O-] ZINC000452386314 249314443 /nfs/dbraw/zinc/31/44/43/249314443.db2.gz FKHDMAGTJJJUIX-CQSZACIVSA-N 0 3 350.419 0.994 10 5 FCBEHN O=C1NC(=O)[C@@]2(CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060441 488913955 /nfs/dbraw/zinc/91/39/55/488913955.db2.gz LMOASAALNDUNPA-WBMJQRKESA-N 0 3 364.358 0.009 10 5 FCBEHN COCCN1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000068911162 488369808 /nfs/dbraw/zinc/36/98/08/488369808.db2.gz KWSHMNGHRQGRHL-LLVKDONJSA-N 0 3 358.420 0.765 10 5 FCBEHN COC(=O)c1cc(C)nc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000367717677 489210216 /nfs/dbraw/zinc/21/02/16/489210216.db2.gz VNBYWGKHKRJSCD-RYUDHWBXSA-N 0 3 350.375 1.360 10 5 FCBEHN CN(C)C1(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416306267 489581957 /nfs/dbraw/zinc/58/19/57/489581957.db2.gz ZUAUXWGLUIFHDE-UHFFFAOYSA-N 0 3 370.431 0.474 10 5 FCBEHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CCCC[NH2+]C1)OCCO2 ZINC000420446674 489978063 /nfs/dbraw/zinc/97/80/63/489978063.db2.gz IBPQIIYPULQMCX-JTQLQIEISA-N 0 3 357.388 0.786 10 5 FCBEHN COc1cnccc1N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000564581522 491315418 /nfs/dbraw/zinc/31/54/18/491315418.db2.gz FZSNKPLIOUVAID-UHFFFAOYSA-N 0 3 358.358 0.819 10 5 FCBEHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)NCCN(C)C ZINC000534050695 490313001 /nfs/dbraw/zinc/31/30/01/490313001.db2.gz GNDMZINWRRQALM-LBPRGKRZSA-N 0 3 353.423 0.756 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000510278020 490505429 /nfs/dbraw/zinc/50/54/29/490505429.db2.gz ZCKYGKHPVXUQKS-UHFFFAOYSA-N 0 3 374.401 0.459 10 5 FCBEHN CS(=O)(=O)c1cc(C(=O)N[C@@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000572521407 491376081 /nfs/dbraw/zinc/37/60/81/491376081.db2.gz HTGCTCIOHNOFOK-LLVKDONJSA-N 0 3 363.342 0.725 10 5 FCBEHN C[C@H]1CCN(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000579610496 491701567 /nfs/dbraw/zinc/70/15/67/491701567.db2.gz CHAQSWJKJHQJFM-LBPRGKRZSA-N 0 3 370.431 0.331 10 5 FCBEHN C[C@@H]1CCN(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000579610495 491701609 /nfs/dbraw/zinc/70/16/09/491701609.db2.gz CHAQSWJKJHQJFM-GFCCVEGCSA-N 0 3 370.431 0.331 10 5 FCBEHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444246 491776714 /nfs/dbraw/zinc/77/67/14/491776714.db2.gz NCXPAYUAGOIACZ-HZMBPMFUSA-N 0 3 368.415 0.327 10 5 FCBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592081626 491830881 /nfs/dbraw/zinc/83/08/81/491830881.db2.gz BHSADLNHQKTORZ-GFCCVEGCSA-N 0 3 370.431 0.644 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592081924 491830901 /nfs/dbraw/zinc/83/09/01/491830901.db2.gz DZGOVZPLPGMRQJ-LLVKDONJSA-N 0 3 356.404 0.335 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592081925 491830934 /nfs/dbraw/zinc/83/09/34/491830934.db2.gz DZGOVZPLPGMRQJ-NSHDSACASA-N 0 3 356.404 0.335 10 5 FCBEHN CC[C@@H](Cn1cncn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584282223 491862103 /nfs/dbraw/zinc/86/21/03/491862103.db2.gz RFZMMRPKFPVSIS-LBPRGKRZSA-N 0 3 368.419 0.533 10 5 FCBEHN O=[N+]([O-])c1cc2c(cc1CNC[C@@]1(OCCO)CCOC1)OCCO2 ZINC000594974887 491874275 /nfs/dbraw/zinc/87/42/75/491874275.db2.gz MWGGMNLEWIGKGB-INIZCTEOSA-N 0 3 354.359 0.624 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CO)(CO)C1 ZINC000595801411 491954432 /nfs/dbraw/zinc/95/44/32/491954432.db2.gz WSJVUCYQUAPYNI-UHFFFAOYSA-N 0 3 353.375 0.609 10 5 FCBEHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2CCC[C@@H]2C1 ZINC000604502299 492062255 /nfs/dbraw/zinc/06/22/55/492062255.db2.gz TZAXTDPIWWJNAT-CYBMUJFWSA-N 0 3 360.370 0.627 10 5 FCBEHN CN(C)S(=O)(=O)N1CC(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599086465 492134049 /nfs/dbraw/zinc/13/40/49/492134049.db2.gz NXZFFLMTEGNILY-HNNXBMFYSA-N 0 3 368.459 0.996 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000610336503 492242715 /nfs/dbraw/zinc/24/27/15/492242715.db2.gz QZWYDGJIHLGOIU-CQSZACIVSA-N 0 3 361.406 0.570 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593623147 546984273 /nfs/dbraw/zinc/98/42/73/546984273.db2.gz VWKSDCZXKXYGQA-UHFFFAOYSA-N 0 3 370.431 0.130 10 5 FCBEHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593620601 546984961 /nfs/dbraw/zinc/98/49/61/546984961.db2.gz CEMKZVVDBRJVNG-UHFFFAOYSA-N 0 3 370.431 0.298 10 5 FCBEHN COc1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594212588 546996540 /nfs/dbraw/zinc/99/65/40/546996540.db2.gz ZUDLQVQBCJWECS-QWHCGFSZSA-N 0 3 350.375 0.564 10 5 FCBEHN NC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000594538848 547001279 /nfs/dbraw/zinc/00/12/79/547001279.db2.gz VUEUTXIZNUFXNW-JTQLQIEISA-N 0 3 362.312 0.711 10 5 FCBEHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594754139 547004797 /nfs/dbraw/zinc/00/47/97/547004797.db2.gz PDSSZCRGRGPNBZ-ZDUSSCGKSA-N 0 3 369.447 0.390 10 5 FCBEHN CN(CCC[NH+](C)C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594821836 547014435 /nfs/dbraw/zinc/01/44/35/547014435.db2.gz OPLFJFZBBBFKAJ-UHFFFAOYSA-N 0 3 362.427 0.896 10 5 FCBEHN CN(C)CCN1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000844381788 670921350 /nfs/dbraw/zinc/92/13/50/670921350.db2.gz RGHNUNFGXCJWAM-UHFFFAOYSA-N 0 3 351.363 0.709 10 5 FCBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1F ZINC000844762149 670940864 /nfs/dbraw/zinc/94/08/64/670940864.db2.gz KGSFDCSWCNJPSG-UHFFFAOYSA-N 0 3 352.366 0.888 10 5 FCBEHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[C@H]1F ZINC000851649393 671452826 /nfs/dbraw/zinc/45/28/26/671452826.db2.gz XNINKPDJESOTTP-ZIAGYGMSSA-N 0 3 352.366 0.943 10 5 FCBEHN Cc1c(C(=O)N2CCOC3(CNC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000853245222 671544891 /nfs/dbraw/zinc/54/48/91/671544891.db2.gz ITMSEUAXPDZQIR-UHFFFAOYSA-N 0 3 350.331 0.934 10 5 FCBEHN CN(C)CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053281 1193785841 /nfs/dbraw/zinc/78/58/41/1193785841.db2.gz YSNXYHDSEDWYAC-AWEZNQCLSA-N 0 3 366.418 0.040 10 5 FCBEHN CN(C)CCN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000593051469 1196605832 /nfs/dbraw/zinc/60/58/32/1196605832.db2.gz NSKBSWCGFJAHAS-UHFFFAOYSA-N 0 3 374.401 0.851 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000592880935 1196740159 /nfs/dbraw/zinc/74/01/59/1196740159.db2.gz PYSXEUQVDTYZSN-ZDUSSCGKSA-N 0 3 363.418 0.975 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1=O ZINC000593784079 1196820087 /nfs/dbraw/zinc/82/00/87/1196820087.db2.gz HNQDUPWDCFGOOX-UHFFFAOYSA-N 0 3 359.386 0.922 10 5 FCBEHN Cc1nn(CN2CCN(CCN(C)C)C(=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000844715459 1204429543 /nfs/dbraw/zinc/42/95/43/1204429543.db2.gz XNWPGDQYDHXAAA-UHFFFAOYSA-N 0 3 360.418 0.916 10 5 FCBEHN CN(C)CCN1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000844715516 1204429580 /nfs/dbraw/zinc/42/95/80/1204429580.db2.gz YFGCAAZSEZATAQ-UHFFFAOYSA-N 0 3 373.417 0.517 10 5 FCBEHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008412 1206370874 /nfs/dbraw/zinc/37/08/74/1206370874.db2.gz KGALCNPVONUJQE-DGCLKSJQSA-N 0 3 366.422 0.417 10 5 FCBEHN COC(=O)c1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC001176533981 1259393004 /nfs/dbraw/zinc/39/30/04/1259393004.db2.gz MTBSZNAULYHAHE-DZGCQCFKSA-N 0 3 363.370 0.663 10 5 FCBEHN CN1CCCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001289519862 1262235718 /nfs/dbraw/zinc/23/57/18/1262235718.db2.gz SMLCMRKRLICXBG-LLVKDONJSA-N 0 3 360.370 0.791 10 5 FCBEHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001297730293 1262888902 /nfs/dbraw/zinc/88/89/02/1262888902.db2.gz VYOHWJVQWUSHGP-CQSZACIVSA-N 0 3 374.401 0.752 10 5 FCBEHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001542572232 1267500017 /nfs/dbraw/zinc/50/00/17/1267500017.db2.gz IPEWIGARAWYJPX-UHFFFAOYSA-N 0 3 367.406 0.918 10 5 FCBEHN CN(CCO)CCN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001557694444 1268966586 /nfs/dbraw/zinc/96/65/86/1268966586.db2.gz JTZJDGOPAFGJNR-UHFFFAOYSA-N 0 3 372.809 0.361 10 5 FCBEHN Cc1nc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC001566640144 1269653005 /nfs/dbraw/zinc/65/30/05/1269653005.db2.gz UWXVIAKDDQJDJM-HUUCEWRRSA-N 0 3 351.407 0.272 10 5 FCBEHN O=C(NCCN1CCN(CCOc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713074250 1287264211 /nfs/dbraw/zinc/26/42/11/1287264211.db2.gz OTIXGXXDKHAZTJ-IAGOWNOFSA-N 0 3 362.430 0.464 10 5 FCBEHN Cc1oncc1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713797642 1287298039 /nfs/dbraw/zinc/29/80/39/1287298039.db2.gz FJKDSKXMYWYCKQ-HUUCEWRRSA-N 0 3 351.407 0.272 10 5 FCBEHN Cc1nc(CCN2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001713806136 1287299598 /nfs/dbraw/zinc/29/95/98/1287299598.db2.gz ZHYARNNUJGIZRK-HUUCEWRRSA-N 0 3 367.475 0.393 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC001715815129 1287361646 /nfs/dbraw/zinc/36/16/46/1287361646.db2.gz NEUTWOWIELYCLC-KOMGFDSOSA-N 0 3 368.340 0.831 10 5 FCBEHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1ccc(F)c(F)c1 ZINC001716681515 1287385403 /nfs/dbraw/zinc/38/54/03/1287385403.db2.gz QAWXXTJDIFDHHJ-ZWNOBZJWSA-N 0 3 368.340 0.807 10 5 FCBEHN CC(C)n1ncnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001716904186 1287392841 /nfs/dbraw/zinc/39/28/41/1287392841.db2.gz GMJPFHKBJQXQLT-CHWSQXEVSA-N 0 3 366.422 0.279 10 5 FCBEHN COc1cc(OCC(=O)N[C@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001641852908 1282976069 /nfs/dbraw/zinc/97/60/69/1282976069.db2.gz QQNYXWYLQSJPQT-LBPRGKRZSA-N 0 3 353.375 0.555 10 5 FCBEHN C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC001596175533 1286287981 /nfs/dbraw/zinc/28/79/81/1286287981.db2.gz PLMGOHFAOQSNRI-OCCSQVGLSA-N 0 3 362.434 0.670 10 5 FCBEHN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564203 1290001897 /nfs/dbraw/zinc/00/18/97/1290001897.db2.gz CXZQUNUUHREBIL-IIAWOOMASA-N 0 3 365.434 0.923 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(=O)NCCN1CCCCC1 ZINC001624095265 1290252230 /nfs/dbraw/zinc/25/22/30/1290252230.db2.gz JLGSDPBHAYGBRL-UHFFFAOYSA-N 0 3 366.422 0.208 10 5 FCBEHN CN1CCCC[C@@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC001627289585 1290451797 /nfs/dbraw/zinc/45/17/97/1290451797.db2.gz JNEGXFQKCNOTEY-GFCCVEGCSA-N 0 3 360.370 0.791 10 5 FCBEHN CN1CCN(CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001629746748 1290622235 /nfs/dbraw/zinc/62/22/35/1290622235.db2.gz SULDRGWCAQTDGT-MRXNPFEDSA-N 0 3 350.419 0.772 10 5 FCBEHN CS(=O)(=O)NC[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001655527842 1291471718 /nfs/dbraw/zinc/47/17/18/1291471718.db2.gz UATNQLVVIOCRHU-LBPRGKRZSA-N 0 3 370.431 0.795 10 5 FCBEHN COCCN(C)CCN1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC001655588565 1291475623 /nfs/dbraw/zinc/47/56/23/1291475623.db2.gz FRFKQQCLEIEXRP-LLVKDONJSA-N 0 3 355.370 0.720 10 5 FCBEHN C[C@]1([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892538 853181503 /nfs/dbraw/zinc/18/15/03/853181503.db2.gz ZVTGFUXJWFYCGL-MLGOLLRUSA-N 0 3 350.375 0.967 10 5 FCBEHN CN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293157574 865779455 /nfs/dbraw/zinc/77/94/55/865779455.db2.gz CNMWZWXVSRFWBC-LLVKDONJSA-N 0 3 356.404 0.084 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](N2CCOCC2)C1 ZINC000181917333 209124780 /nfs/dbraw/zinc/12/47/80/209124780.db2.gz DXPOITMGIXOWJT-LSDHHAIUSA-N 0 3 351.403 0.741 10 5 FCBEHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000470849722 250068571 /nfs/dbraw/zinc/06/85/71/250068571.db2.gz VVLGZZUYSAEOTF-UHFFFAOYSA-N 0 3 361.402 0.701 10 5 FCBEHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301986765 488886768 /nfs/dbraw/zinc/88/67/68/488886768.db2.gz ZKZGCAFELVVOFK-LBPRGKRZSA-N 0 3 359.390 0.556 10 5 FCBEHN O=C(CN1CCCC1)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302001561 488886879 /nfs/dbraw/zinc/88/68/79/488886879.db2.gz QMIRLWOQSOQSEP-UHFFFAOYSA-N 0 3 359.390 0.382 10 5 FCBEHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000075669261 488398324 /nfs/dbraw/zinc/39/83/24/488398324.db2.gz FUHMJCIJHSOYFY-UHFFFAOYSA-N 0 3 371.463 0.680 10 5 FCBEHN Cn1cc([C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891140 491201344 /nfs/dbraw/zinc/20/13/44/491201344.db2.gz RQLPISDLPMPQHZ-LSDHHAIUSA-N 0 3 364.406 0.379 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000273035559 488626868 /nfs/dbraw/zinc/62/68/68/488626868.db2.gz GKBLSEBPAZSTII-CYBMUJFWSA-N 0 3 364.402 0.886 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C ZINC000273579218 488659812 /nfs/dbraw/zinc/65/98/12/488659812.db2.gz PCMXAUKWALGHNN-JTQLQIEISA-N 0 3 359.404 1.000 10 5 FCBEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174784688 488851092 /nfs/dbraw/zinc/85/10/92/488851092.db2.gz SFRJDZPNRZEMAM-ZBFHGGJFSA-N 0 3 363.422 0.773 10 5 FCBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000286266173 489374906 /nfs/dbraw/zinc/37/49/06/489374906.db2.gz FUQMTKCYEUICII-STQMWFEESA-N 0 3 351.407 0.962 10 5 FCBEHN CCN1C(=O)N=NC1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000371289735 489474093 /nfs/dbraw/zinc/47/40/93/489474093.db2.gz OTQWWSDILAKBHI-CYBMUJFWSA-N 0 3 365.394 0.349 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@](O)(CO)C1 ZINC000459643465 489744024 /nfs/dbraw/zinc/74/40/24/489744024.db2.gz IFIMJOIQUHIDAN-INIZCTEOSA-N 0 3 353.375 0.751 10 5 FCBEHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CCCC[NH2+]C1)OCCO2 ZINC000420446676 489978044 /nfs/dbraw/zinc/97/80/44/489978044.db2.gz IBPQIIYPULQMCX-SNVBAGLBSA-N 0 3 357.388 0.786 10 5 FCBEHN CN(C)C(=O)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000521856825 490303293 /nfs/dbraw/zinc/30/32/93/490303293.db2.gz MXJBSOYBWXIOIO-UHFFFAOYSA-N 0 3 364.406 0.443 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCCN2CCO)cc1 ZINC000578132142 491670628 /nfs/dbraw/zinc/67/06/28/491670628.db2.gz PLHSIIRGPZECQX-HNNXBMFYSA-N 0 3 371.459 0.805 10 5 FCBEHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592081886 491831038 /nfs/dbraw/zinc/83/10/38/491831038.db2.gz CPAMSXPJXBMJHO-LBPRGKRZSA-N 0 3 370.431 0.644 10 5 FCBEHN COC(=O)[C@](C)(NC(=O)C(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000600526936 491867241 /nfs/dbraw/zinc/86/72/41/491867241.db2.gz IMCBASPTEGJOHP-YMTOWFKASA-N 0 3 358.372 0.532 10 5 FCBEHN COC(=O)[C@@](C)(NC(=O)C(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000600526933 491867315 /nfs/dbraw/zinc/86/73/15/491867315.db2.gz IMCBASPTEGJOHP-XPTSAGLGSA-N 0 3 358.372 0.532 10 5 FCBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000595912260 491961258 /nfs/dbraw/zinc/96/12/58/491961258.db2.gz YABZITGHNGAFIL-CQSZACIVSA-N 0 3 374.449 0.804 10 5 FCBEHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595985370 491968984 /nfs/dbraw/zinc/96/89/84/491968984.db2.gz IJAGRRDMKHLISL-LLVKDONJSA-N 0 3 374.405 0.470 10 5 FCBEHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000592389800 546949431 /nfs/dbraw/zinc/94/94/31/546949431.db2.gz QQRGOTLJMQQKCZ-IUCAKERBSA-N 0 3 361.351 0.360 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000592873601 546959649 /nfs/dbraw/zinc/95/96/49/546959649.db2.gz OPYUQPQGGNXYBA-NSHDSACASA-N 0 3 352.395 0.105 10 5 FCBEHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594026695 546996051 /nfs/dbraw/zinc/99/60/51/546996051.db2.gz IHPLBKISCXTPTF-NWDGAFQWSA-N 0 3 354.794 0.938 10 5 FCBEHN NC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450699 546998624 /nfs/dbraw/zinc/99/86/24/546998624.db2.gz RIAHDVOHFAGRAU-APPZFPTMSA-N 0 3 364.280 0.798 10 5 FCBEHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000846363358 671104972 /nfs/dbraw/zinc/10/49/72/671104972.db2.gz NMKWQDQTDWSWIB-UHFFFAOYSA-N 0 3 352.366 0.888 10 5 FCBEHN COCCN(C)CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503884 672132046 /nfs/dbraw/zinc/13/20/46/672132046.db2.gz TXVANSPEAZIOBQ-INIZCTEOSA-N 0 3 350.375 0.940 10 5 FCBEHN Cc1nn(CCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000592875068 1196585604 /nfs/dbraw/zinc/58/56/04/1196585604.db2.gz VVWMHGHFJRHQPT-CYBMUJFWSA-N 0 3 366.422 0.377 10 5 FCBEHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CCN(C)C)C(=O)C1 ZINC000593052406 1196605336 /nfs/dbraw/zinc/60/53/36/1196605336.db2.gz QZOCLXFOAJDBSB-CYBMUJFWSA-N 0 3 363.418 0.628 10 5 FCBEHN NC(=O)Cc1cccc2c1CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001175276970 1206302677 /nfs/dbraw/zinc/30/26/77/1206302677.db2.gz NGXQDDJIXYRLMI-OAHLLOKOSA-N 0 3 359.386 0.238 10 5 FCBEHN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1c[nH]cn1 ZINC001488458618 1208525953 /nfs/dbraw/zinc/52/59/53/1208525953.db2.gz TUPWJGJBSBAUAP-ZIAGYGMSSA-N 0 3 351.407 0.703 10 5 FCBEHN CN(C)c1ccncc1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941011960 1246429199 /nfs/dbraw/zinc/42/91/99/1246429199.db2.gz XBIKUHDDUZQYDX-IUODEOHRSA-N 0 3 361.402 0.487 10 5 FCBEHN CC(C)CNC(=O)CN1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001279352461 1260847081 /nfs/dbraw/zinc/84/70/81/1260847081.db2.gz FVLYUINNHJYLMB-HUUCEWRRSA-N 0 3 366.462 0.785 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(O)(COCCO)CC1 ZINC001473809564 1261499939 /nfs/dbraw/zinc/49/99/39/1261499939.db2.gz OKCRXYFVUXGQON-CQSZACIVSA-N 0 3 370.402 0.170 10 5 FCBEHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298083585 1262910058 /nfs/dbraw/zinc/91/00/58/1262910058.db2.gz LIIPUYWNXOQIBU-CQSZACIVSA-N 0 3 374.401 0.752 10 5 FCBEHN Cc1nc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)oc1C ZINC001316958460 1263493133 /nfs/dbraw/zinc/49/31/33/1263493133.db2.gz WXHRWQIUADTDGS-HUUCEWRRSA-N 0 3 365.434 0.581 10 5 FCBEHN COc1cncc(CN2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001495517094 1263822930 /nfs/dbraw/zinc/82/29/30/1263822930.db2.gz ICFSUFZBXTYCOE-HUUCEWRRSA-N 0 3 363.418 0.869 10 5 FCBEHN O=Cc1ccc(OCC(=O)NC[C@@H]2CCCCN2CCO)c([N+](=O)[O-])c1 ZINC001324523128 1264663388 /nfs/dbraw/zinc/66/33/88/1264663388.db2.gz BMRDOCKJUZMZBG-AWEZNQCLSA-N 0 3 365.386 0.749 10 5 FCBEHN CONC(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001560124545 1269190105 /nfs/dbraw/zinc/19/01/05/1269190105.db2.gz YIYSMLKBLLYNBJ-ZDUSSCGKSA-N 0 3 353.375 0.724 10 5 FCBEHN O=C(CNC(=O)CNc1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC001569057076 1269760899 /nfs/dbraw/zinc/76/08/99/1269760899.db2.gz BHNWBXHISJZGTD-UHFFFAOYSA-N 0 3 363.418 0.725 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N[C@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001639135122 1282752466 /nfs/dbraw/zinc/75/24/66/1282752466.db2.gz FEYCXDQAVOJLIK-AWEZNQCLSA-N 0 3 364.402 0.790 10 5 FCBEHN CN(C)Cc1ccsc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721079110 1288286912 /nfs/dbraw/zinc/28/69/12/1288286912.db2.gz HMACEYLIQVJMHQ-VXGBXAGGSA-N 0 3 354.432 0.663 10 5 FCBEHN CN1CCCC[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001618398645 1289903069 /nfs/dbraw/zinc/90/30/69/1289903069.db2.gz XAIAYOGWFIEQCJ-CYBMUJFWSA-N 0 3 362.386 0.921 10 5 FCBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001627692048 1290477001 /nfs/dbraw/zinc/47/70/01/1290477001.db2.gz DYBLZPUJJUCKNJ-HNNXBMFYSA-N 0 3 363.418 0.971 10 5 FCBEHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001648043774 1291098963 /nfs/dbraw/zinc/09/89/63/1291098963.db2.gz USZKCMYSSAMYMZ-CYBMUJFWSA-N 0 3 357.411 0.951 10 5 FCBEHN NS(=O)(=O)c1cccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001651494970 1291225155 /nfs/dbraw/zinc/22/51/55/1291225155.db2.gz HJVZEVACPZSGAT-VXGBXAGGSA-N 0 3 370.431 0.278 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001653333258 1291336738 /nfs/dbraw/zinc/33/67/38/1291336738.db2.gz MPKBPQOTFFKCKI-CHWSQXEVSA-N 0 3 351.407 0.942 10 5 FCBEHN CCCNC(=O)CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001276902159 861679637 /nfs/dbraw/zinc/67/96/37/861679637.db2.gz SXZGIJOUEKDSPR-KFZJALRRSA-N 0 3 352.435 0.348 10 5 FCBEHN CCn1nncc1CN1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001278608030 862384633 /nfs/dbraw/zinc/38/46/33/862384633.db2.gz UOSYKAVZKCMKIH-ZIAGYGMSSA-N 0 3 350.423 0.682 10 5 FCBEHN CCN(C(=O)CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001266181742 859473405 /nfs/dbraw/zinc/47/34/05/859473405.db2.gz OJCZUOCPYHHJMK-HUUCEWRRSA-N 0 3 352.435 0.585 10 5 FCBEHN CC(C)N(C)C(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001270845791 859856097 /nfs/dbraw/zinc/85/60/97/859856097.db2.gz WKPRGWCQQNUWGD-ZIAGYGMSSA-N 0 3 352.435 0.443 10 5 FCBEHN CCN1CCN(C2CN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)CC1 ZINC001353086852 867343171 /nfs/dbraw/zinc/34/31/71/867343171.db2.gz OCGVHUOTZZXONM-UHFFFAOYSA-N 0 3 350.423 0.903 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000361450882 215394299 /nfs/dbraw/zinc/39/42/99/215394299.db2.gz QQIDPZHPRFWYSB-HOCLYGCPSA-N 0 3 353.423 0.339 10 5 FCBEHN CCN(CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000470589809 250051491 /nfs/dbraw/zinc/05/14/91/250051491.db2.gz CETIHTZWBODALC-GFCCVEGCSA-N 0 3 368.390 0.223 10 5 FCBEHN CCN(CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000470589810 250050489 /nfs/dbraw/zinc/05/04/89/250050489.db2.gz CETIHTZWBODALC-LBPRGKRZSA-N 0 3 368.390 0.223 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000278332562 488868827 /nfs/dbraw/zinc/86/88/27/488868827.db2.gz GLLTUKHYUAIJJS-PHIMTYICSA-N 0 3 369.399 0.564 10 5 FCBEHN COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000262205279 488556728 /nfs/dbraw/zinc/55/67/28/488556728.db2.gz KZJYLNMNSHTKJZ-UHFFFAOYSA-N 0 3 373.431 0.898 10 5 FCBEHN CCC[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262255266 488559611 /nfs/dbraw/zinc/55/96/11/488559611.db2.gz DYDLXPDNFMSKCE-NSHDSACASA-N 0 3 358.420 0.654 10 5 FCBEHN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755114 488590575 /nfs/dbraw/zinc/59/05/75/488590575.db2.gz HQNFHTIVWABKNQ-NXEZZACHSA-N 0 3 357.388 0.642 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152470365 488718426 /nfs/dbraw/zinc/71/84/26/488718426.db2.gz JEFKUXBCJYURIZ-HNNXBMFYSA-N 0 3 361.402 0.677 10 5 FCBEHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000160401568 488791114 /nfs/dbraw/zinc/79/11/14/488791114.db2.gz PORXFLWPLHKYCR-CQSZACIVSA-N 0 3 374.401 0.752 10 5 FCBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@](O)(CO)C1 ZINC000459638010 489743701 /nfs/dbraw/zinc/74/37/01/489743701.db2.gz SSMIKSOHKNERPM-MRXNPFEDSA-N 0 3 351.359 0.712 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444723135 490110468 /nfs/dbraw/zinc/11/04/68/490110468.db2.gz UQACBCPJNOGSFG-YUSALJHKSA-N 0 3 352.313 0.787 10 5 FCBEHN COc1cnccc1N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000483225824 490296026 /nfs/dbraw/zinc/29/60/26/490296026.db2.gz HVLCXFAKVMCOMH-AWEZNQCLSA-N 0 3 362.390 0.378 10 5 FCBEHN O=C(NCCNc1ccncc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000534524960 490375121 /nfs/dbraw/zinc/37/51/21/490375121.db2.gz QWOUSHJSUGVRKO-UHFFFAOYSA-N 0 3 353.342 0.834 10 5 FCBEHN Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000534784946 490409051 /nfs/dbraw/zinc/40/90/51/490409051.db2.gz KAMJNGKFPGCBCH-NSHDSACASA-N 0 3 354.411 0.449 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423036824 490526166 /nfs/dbraw/zinc/52/61/66/490526166.db2.gz LQZXYXPBXGVIAF-JKSUJKDBSA-N 0 3 369.443 0.725 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536432550 490577827 /nfs/dbraw/zinc/57/78/27/490577827.db2.gz FTHIJHSIMUWAKY-GJZGRUSLSA-N 0 3 374.401 0.186 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536432546 490578361 /nfs/dbraw/zinc/57/83/61/490578361.db2.gz FTHIJHSIMUWAKY-CABCVRRESA-N 0 3 374.401 0.186 10 5 FCBEHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000584470681 491594951 /nfs/dbraw/zinc/59/49/51/491594951.db2.gz CTAVEQGWXSCBJI-LBPRGKRZSA-N 0 3 371.344 0.507 10 5 FCBEHN O=C(CN1CCNC[C@H]1C(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576227904 491594904 /nfs/dbraw/zinc/59/49/04/491594904.db2.gz KFMVBAFNHAZDMD-JTQLQIEISA-N 0 3 358.301 0.801 10 5 FCBEHN Cc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444247 491776734 /nfs/dbraw/zinc/77/67/34/491776734.db2.gz NCXPAYUAGOIACZ-IINYFYTJSA-N 0 3 368.415 0.327 10 5 FCBEHN CN1C[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000590445998 491777161 /nfs/dbraw/zinc/77/71/61/491777161.db2.gz QGXMKEKBKIMCOA-GXFFZTMASA-N 0 3 358.354 0.353 10 5 FCBEHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000595892951 491959545 /nfs/dbraw/zinc/95/95/45/491959545.db2.gz SLQFJBYKQKVIDP-LBPRGKRZSA-N 0 3 366.443 0.935 10 5 FCBEHN N[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595947707 491964108 /nfs/dbraw/zinc/96/41/08/491964108.db2.gz MUIUCNKGPHXBPE-CHWSQXEVSA-N 0 3 374.394 0.161 10 5 FCBEHN NCC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595979649 491967598 /nfs/dbraw/zinc/96/75/98/491967598.db2.gz BGPCLKQLVKHJKD-UHFFFAOYSA-N 0 3 373.413 0.193 10 5 FCBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000597860972 492071565 /nfs/dbraw/zinc/07/15/65/492071565.db2.gz QMKMBSZFUHUWOA-NSHDSACASA-N 0 3 370.431 0.845 10 5 FCBEHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598536274 492103833 /nfs/dbraw/zinc/10/38/33/492103833.db2.gz QLZSYODQYIQOLV-CYBMUJFWSA-N 0 3 351.407 0.893 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)n1 ZINC000599229076 492145642 /nfs/dbraw/zinc/14/56/42/492145642.db2.gz PKKGQEMTXJTCGN-LBPRGKRZSA-N 0 3 357.436 0.967 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000608861378 492194763 /nfs/dbraw/zinc/19/47/63/492194763.db2.gz QMPUODCSOAAUTK-HNNXBMFYSA-N 0 3 361.402 0.853 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923762 492243579 /nfs/dbraw/zinc/24/35/79/492243579.db2.gz KYRGZCPGXPZUGY-QGZVFWFLSA-N 0 3 364.402 0.240 10 5 FCBEHN CN(C)CCn1cc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000610869553 492265626 /nfs/dbraw/zinc/26/56/26/492265626.db2.gz CGKXZWOVCGXFHP-UHFFFAOYSA-N 0 3 374.401 0.950 10 5 FCBEHN CCOCCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC000174782726 528750487 /nfs/dbraw/zinc/75/04/87/528750487.db2.gz DGQRHSXBAIOUBD-HOCLYGCPSA-N 0 3 355.439 0.585 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592875451 546958479 /nfs/dbraw/zinc/95/84/79/546958479.db2.gz YVNFPMMNUKDYET-LLVKDONJSA-N 0 3 350.375 0.795 10 5 FCBEHN CN(C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593234778 546964625 /nfs/dbraw/zinc/96/46/25/546964625.db2.gz KFULBLGCHHJEMH-UHFFFAOYSA-N 0 3 350.375 0.206 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593235912 546964965 /nfs/dbraw/zinc/96/49/65/546964965.db2.gz ZHBXFXYOLUSKDZ-UHFFFAOYSA-N 0 3 350.375 0.449 10 5 FCBEHN CN(C)CCN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O ZINC000593486050 546968331 /nfs/dbraw/zinc/96/83/31/546968331.db2.gz IAKDVIHXCDBQNE-UHFFFAOYSA-N 0 3 370.431 0.209 10 5 FCBEHN CS(=O)(=O)c1cc(C(=O)N[C@@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451950 546998809 /nfs/dbraw/zinc/99/88/09/546998809.db2.gz UTTSUGVVEAXIQW-VIFPVBQESA-N 0 3 355.294 0.618 10 5 FCBEHN CN1CCC2(CC1)CN(S(=O)(=O)c1ncccc1[N+](=O)[O-])CCO2 ZINC000594796027 547012185 /nfs/dbraw/zinc/01/21/85/547012185.db2.gz RFVCQLWTNVTNHA-UHFFFAOYSA-N 0 3 356.404 0.475 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C ZINC000594822188 547013994 /nfs/dbraw/zinc/01/39/94/547013994.db2.gz RVURXNFPJYQSEU-JTQLQIEISA-N 0 3 359.404 1.000 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000828081808 669615346 /nfs/dbraw/zinc/61/53/46/669615346.db2.gz CDVJBCBWUYPJFH-VIFPVBQESA-N 0 3 362.433 0.397 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828083287 669615924 /nfs/dbraw/zinc/61/59/24/669615924.db2.gz UYZRXUWPYOLNMI-SNVBAGLBSA-N 0 3 374.394 0.474 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000592880933 1196740681 /nfs/dbraw/zinc/74/06/81/1196740681.db2.gz PYSXEUQVDTYZSN-CYBMUJFWSA-N 0 3 363.418 0.975 10 5 FCBEHN CCOc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593232048 1196763725 /nfs/dbraw/zinc/76/37/25/1196763725.db2.gz DPDACSHKUADVFD-UHFFFAOYSA-N 0 3 364.402 0.840 10 5 FCBEHN Cc1cc(OCC(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593235795 1196765891 /nfs/dbraw/zinc/76/58/91/1196765891.db2.gz USUOWQQGYRNWLI-UHFFFAOYSA-N 0 3 364.402 0.514 10 5 FCBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593235345 1196765991 /nfs/dbraw/zinc/76/59/91/1196765991.db2.gz OJYYMUDLYDXMPU-UHFFFAOYSA-N 0 3 364.402 0.840 10 5 FCBEHN COc1ccc(NC(=O)CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001483732843 1197121713 /nfs/dbraw/zinc/12/17/13/1197121713.db2.gz NHGBPSKUFXJEPI-ZIAGYGMSSA-N 0 3 362.386 0.537 10 5 FCBEHN COC(=O)C1CCN(CCCNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001136657962 1203245272 /nfs/dbraw/zinc/24/52/72/1203245272.db2.gz IXKIDDJMNATOGG-UHFFFAOYSA-N 0 3 367.406 0.491 10 5 FCBEHN O=C(NCC1(NCc2cnnn2-c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001277054710 1225815656 /nfs/dbraw/zinc/81/56/56/1225815656.db2.gz IHSXRXGPJOSKOC-HUUCEWRRSA-N 0 3 356.386 0.671 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(O)(COCCO)CC1 ZINC001473809557 1261499698 /nfs/dbraw/zinc/49/96/98/1261499698.db2.gz OKCRXYFVUXGQON-AWEZNQCLSA-N 0 3 370.402 0.170 10 5 FCBEHN O=C(CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC001297880074 1262899197 /nfs/dbraw/zinc/89/91/97/1262899197.db2.gz PXVSOILOYVDALR-INIZCTEOSA-N 0 3 364.402 0.347 10 5 FCBEHN O=C(NC[C@@H]1CCCN1CCCO)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298329284 1262923287 /nfs/dbraw/zinc/92/32/87/1262923287.db2.gz YIAPZSRCTANHLI-AWEZNQCLSA-N 0 3 374.401 0.752 10 5 FCBEHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OCCCNCc2nncs2)CC1 ZINC001485441990 1263507948 /nfs/dbraw/zinc/50/79/48/1263507948.db2.gz BTUKKYUBKBKQDC-CHWSQXEVSA-N 0 3 369.447 0.691 10 5 FCBEHN CCN(CCS(C)(=O)=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001505396763 1264271691 /nfs/dbraw/zinc/27/16/91/1264271691.db2.gz PCJYHSTYFATLDE-ZIAGYGMSSA-N 0 3 361.464 0.257 10 5 FCBEHN CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CCN1C ZINC001526252193 1266793948 /nfs/dbraw/zinc/79/39/48/1266793948.db2.gz GZLOWYICTDPDRS-UONOGXRCSA-N 0 3 352.439 0.868 10 5 FCBEHN COc1ccc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001526711195 1266830775 /nfs/dbraw/zinc/83/07/75/1266830775.db2.gz GOIYPSDOJWNQEA-UHFFFAOYSA-N 0 3 365.390 0.841 10 5 FCBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 ZINC001542656343 1267503200 /nfs/dbraw/zinc/50/32/00/1267503200.db2.gz ZZQYMFIEZUCASZ-HNNXBMFYSA-N 0 3 361.402 0.853 10 5 FCBEHN C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC001341682868 1269150501 /nfs/dbraw/zinc/15/05/01/1269150501.db2.gz GJHXCDNCWDDPHE-OLZOCXBDSA-N 0 3 350.423 0.426 10 5 FCBEHN C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC001565609429 1269481546 /nfs/dbraw/zinc/48/15/46/1269481546.db2.gz ORKJRRKCMXFPSP-CZUORRHYSA-N 0 3 350.419 0.628 10 5 FCBEHN CCN(CCO)CCNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001567929344 1269713431 /nfs/dbraw/zinc/71/34/31/1269713431.db2.gz ARXAQQOCRJGJOX-UHFFFAOYSA-N 0 3 362.390 0.279 10 5 FCBEHN CCCN(CCC)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713281606 1287272856 /nfs/dbraw/zinc/27/28/56/1287272856.db2.gz VWMXCELVWPYQMT-SSZWKKLZSA-N 0 3 352.435 0.347 10 5 FCBEHN CN1CCC(N(CCO)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC001639322128 1282771611 /nfs/dbraw/zinc/77/16/11/1282771611.db2.gz YURQHHGXWSGSTQ-UHFFFAOYSA-N 0 3 365.386 0.701 10 5 FCBEHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001593722059 1286212355 /nfs/dbraw/zinc/21/23/55/1286212355.db2.gz WMBBKXGHDHOPMT-UONOGXRCSA-N 0 3 372.385 0.457 10 5 FCBEHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001598292613 1286386016 /nfs/dbraw/zinc/38/60/16/1286386016.db2.gz NQQQKYGYSJHMHC-UHFFFAOYSA-N 0 3 364.406 0.124 10 5 FCBEHN CC(C)CNC(=O)CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001700622304 1289599584 /nfs/dbraw/zinc/59/95/84/1289599584.db2.gz CGLZYULXDSUQOP-DTDBQYNISA-N 0 3 366.462 0.594 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001660398033 1291657119 /nfs/dbraw/zinc/65/71/19/1291657119.db2.gz HSRSORSXZNRUNR-AGIUHOORSA-N 0 3 373.431 0.191 10 5 FCBEHN NC(=O)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001197385771 853107144 /nfs/dbraw/zinc/10/71/44/853107144.db2.gz YWFUVGCXBZFCLQ-UHFFFAOYSA-N 0 3 350.375 0.890 10 5 FCBEHN Cc1nc(C)c(CN2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001265258546 859456415 /nfs/dbraw/zinc/45/64/15/859456415.db2.gz LVLCAMPZXXYOER-ZIAGYGMSSA-N 0 3 367.475 0.659 10 5 FCBEHN CN(CCN1CCN(CCC(F)(F)F)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267607443 859510009 /nfs/dbraw/zinc/51/00/09/859510009.db2.gz IWIZHOTZQADPPY-VXGBXAGGSA-N 0 3 352.357 0.680 10 5 FCBEHN CN(CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Cc1cn(C)nn1 ZINC001271773056 860007800 /nfs/dbraw/zinc/00/78/00/860007800.db2.gz YUSVLULNCWMGHT-HUUCEWRRSA-N 0 3 350.423 0.541 10 5 FCBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c1 ZINC000193237860 209309654 /nfs/dbraw/zinc/30/96/54/209309654.db2.gz FTQVSYRDAGNUNS-UHFFFAOYSA-N 0 3 362.839 0.740 10 5 FCBEHN Cn1cc([C@@H]2CNCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000181386563 209112533 /nfs/dbraw/zinc/11/25/33/209112533.db2.gz HURVNPNNMNHSIK-AWEZNQCLSA-N 0 3 355.358 0.991 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000419320351 246096765 /nfs/dbraw/zinc/09/67/65/246096765.db2.gz DOSBPFIDWQSOJF-IIAWOOMASA-N 0 3 353.419 0.721 10 5 FCBEHN CN(C)C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000116978098 208339914 /nfs/dbraw/zinc/33/99/14/208339914.db2.gz AFCMKPZKUZTZHY-LBPRGKRZSA-N 0 3 360.370 0.839 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191802681 488421417 /nfs/dbraw/zinc/42/14/17/488421417.db2.gz ZNIRCPPEZQWZEW-UHFFFAOYSA-N 0 3 366.422 0.437 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NCCN2CCCCCC2)n1 ZINC000554454131 491203153 /nfs/dbraw/zinc/20/31/53/491203153.db2.gz JRPCCRQYTKNEEQ-UHFFFAOYSA-N 0 3 366.422 0.533 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000272422019 488579849 /nfs/dbraw/zinc/57/98/49/488579849.db2.gz HRHMDKMWIJBPLM-HUUCEWRRSA-N 0 3 373.413 0.941 10 5 FCBEHN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794533 488593760 /nfs/dbraw/zinc/59/37/60/488593760.db2.gz STSDOAJZGFOUPY-UWVGGRQHSA-N 0 3 357.388 0.642 10 5 FCBEHN Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000127845945 488620358 /nfs/dbraw/zinc/62/03/58/488620358.db2.gz WBSJGWHARGZSDW-LBPRGKRZSA-N 0 3 368.438 0.459 10 5 FCBEHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264021446 488643519 /nfs/dbraw/zinc/64/35/19/488643519.db2.gz OUAGSFYEXFSQOS-LBPRGKRZSA-N 0 3 350.423 0.774 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264199687 488654468 /nfs/dbraw/zinc/65/44/68/488654468.db2.gz ILFKOPIFRXVORS-UHFFFAOYSA-N 0 3 364.406 0.079 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000152470473 488718190 /nfs/dbraw/zinc/71/81/90/488718190.db2.gz JEFKUXBCJYURIZ-OAHLLOKOSA-N 0 3 361.402 0.677 10 5 FCBEHN O=c1nc(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH][n-]1 ZINC000280927355 489041778 /nfs/dbraw/zinc/04/17/78/489041778.db2.gz GUGFUTWOHCXMQL-ZDUSSCGKSA-N 0 3 363.374 0.626 10 5 FCBEHN O=C(CCN1CCC[C@]2(C1)NC(=O)NC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365527715 489083972 /nfs/dbraw/zinc/08/39/72/489083972.db2.gz IJUIHYUSUCGKCV-MRXNPFEDSA-N 0 3 361.358 0.597 10 5 FCBEHN COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000416477086 489598922 /nfs/dbraw/zinc/59/89/22/489598922.db2.gz QEGXBYPTLCQHFC-PHIMTYICSA-N 0 3 369.399 0.564 10 5 FCBEHN COC(=O)c1cc(C)nc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450601999 490477561 /nfs/dbraw/zinc/47/75/61/490477561.db2.gz ZHHBCJWJBHOHLX-LBPRGKRZSA-N 0 3 352.391 1.344 10 5 FCBEHN CN(C)CCNC(=O)c1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000539024436 490761865 /nfs/dbraw/zinc/76/18/65/490761865.db2.gz RZNHVKMBQLTPOQ-UHFFFAOYSA-N 0 3 374.401 0.550 10 5 FCBEHN CC(C)C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000539030200 490762197 /nfs/dbraw/zinc/76/21/97/490762197.db2.gz KXSFOQJNCGCQET-NSHDSACASA-N 0 3 354.411 0.151 10 5 FCBEHN COc1cnccc1N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000573696709 491449321 /nfs/dbraw/zinc/44/93/21/491449321.db2.gz ODVJPSZQORGBCZ-UHFFFAOYSA-N 0 3 358.358 0.938 10 5 FCBEHN Nc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587866721 491736355 /nfs/dbraw/zinc/73/63/55/491736355.db2.gz QSVYXDLRQSKGOO-UHFFFAOYSA-N 0 3 363.418 0.414 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000590562474 491779385 /nfs/dbraw/zinc/77/93/85/491779385.db2.gz LVHWDZIMOFUVOV-KBPBESRZSA-N 0 3 351.407 0.811 10 5 FCBEHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592082180 491831084 /nfs/dbraw/zinc/83/10/84/491831084.db2.gz GMPHMTFUPFJJGC-GFCCVEGCSA-N 0 3 370.431 0.644 10 5 FCBEHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594918736 491872007 /nfs/dbraw/zinc/87/20/07/491872007.db2.gz RUNABPCGLOPLSL-LEWSCRJBSA-N 0 3 371.415 0.660 10 5 FCBEHN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595123274 491885443 /nfs/dbraw/zinc/88/54/43/491885443.db2.gz VOWUHLCAKHQDEG-GHMZBOCLSA-N 0 3 361.351 0.441 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601181025 491898867 /nfs/dbraw/zinc/89/88/67/491898867.db2.gz CSAOTWYNGPTTQG-QMMMGPOBSA-N 0 3 364.328 0.903 10 5 FCBEHN CCN1CCN(CCNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601398569 491913152 /nfs/dbraw/zinc/91/31/52/491913152.db2.gz HYSGAGTYINAVFY-UHFFFAOYSA-N 0 3 362.477 0.881 10 5 FCBEHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC000595385266 491926851 /nfs/dbraw/zinc/92/68/51/491926851.db2.gz XYOKCRSKZLHVML-CQSZACIVSA-N 0 3 355.416 0.815 10 5 FCBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)n1 ZINC000595912257 491961155 /nfs/dbraw/zinc/96/11/55/491961155.db2.gz XVKOZPALEJISAL-CQSZACIVSA-N 0 3 374.449 0.804 10 5 FCBEHN NCC12CC(C1)CN2C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595982492 491968777 /nfs/dbraw/zinc/96/87/77/491968777.db2.gz WJTKCJKTOTZQRL-UHFFFAOYSA-N 0 3 373.413 0.193 10 5 FCBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000597860971 492071271 /nfs/dbraw/zinc/07/12/71/492071271.db2.gz QMKMBSZFUHUWOA-LLVKDONJSA-N 0 3 370.431 0.845 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597989983 492076184 /nfs/dbraw/zinc/07/61/84/492076184.db2.gz JAARQQGFULOQON-INIZCTEOSA-N 0 3 373.413 0.983 10 5 FCBEHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(CN)CCOCC1 ZINC000599896790 492215367 /nfs/dbraw/zinc/21/53/67/492215367.db2.gz AVXBZLHUPCSZLY-UHFFFAOYSA-N 0 3 350.375 0.720 10 5 FCBEHN C[NH2+]C1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592470703 546951934 /nfs/dbraw/zinc/95/19/34/546951934.db2.gz DURQXUPIILFLFF-UHFFFAOYSA-N 0 3 356.404 0.084 10 5 FCBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593621283 546984402 /nfs/dbraw/zinc/98/44/02/546984402.db2.gz GZMYZWISGHHZAR-UHFFFAOYSA-N 0 3 370.431 0.298 10 5 FCBEHN NC[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000594450604 546998646 /nfs/dbraw/zinc/99/86/46/546998646.db2.gz GYGFXRDTHUBMLK-MRVPVSSYSA-N 0 3 368.699 0.984 10 5 FCBEHN NC[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000594538849 547001795 /nfs/dbraw/zinc/00/17/95/547001795.db2.gz VUEUTXIZNUFXNW-SNVBAGLBSA-N 0 3 362.312 0.711 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927400 669366640 /nfs/dbraw/zinc/36/66/40/669366640.db2.gz WCBYJYAOHCMCNR-JTQLQIEISA-N 0 3 350.379 0.761 10 5 FCBEHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000813108540 669827839 /nfs/dbraw/zinc/82/78/39/669827839.db2.gz HAURYIZRIBUHRG-MRVPVSSYSA-N 0 3 350.331 0.017 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1=O ZINC000844761703 1204434133 /nfs/dbraw/zinc/43/41/33/1204434133.db2.gz ONYSNGQCRCQHAL-UHFFFAOYSA-N 0 3 363.418 0.507 10 5 FCBEHN O=C(N[C@H](CO)CN1CCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001297730271 1262889625 /nfs/dbraw/zinc/88/96/25/1262889625.db2.gz VYOHWJVQWUSHGP-AWEZNQCLSA-N 0 3 374.401 0.752 10 5 FCBEHN CN(C)c1noc(CNCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001485250768 1263499088 /nfs/dbraw/zinc/49/90/88/1263499088.db2.gz RQJMKCQXHPWBQP-GHMZBOCLSA-N 0 3 354.411 0.375 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc21 ZINC001497583336 1263941301 /nfs/dbraw/zinc/94/13/01/1263941301.db2.gz LUNMUTBFOQQHIQ-RAQZUPNJSA-N 0 3 358.398 0.503 10 5 FCBEHN CCn1cc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)nn1 ZINC001506506501 1264323663 /nfs/dbraw/zinc/32/36/63/1264323663.db2.gz YOONZCPOHFTRQM-ZIAGYGMSSA-N 0 3 350.423 0.872 10 5 FCBEHN Cc1nccn1CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001334050540 1266794642 /nfs/dbraw/zinc/79/46/42/1266794642.db2.gz JLVSPIBBRVJHRI-CHWSQXEVSA-N 0 3 351.407 0.458 10 5 FCBEHN CC1(CNC(=O)CCc2nnc[nH]2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001537121252 1267355556 /nfs/dbraw/zinc/35/55/56/1267355556.db2.gz YJHBXQGOBQPOSU-VXGBXAGGSA-N 0 3 364.406 0.147 10 5 FCBEHN O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC(N[C@H]2CCOC2)C1 ZINC001558552382 1269110288 /nfs/dbraw/zinc/11/02/88/1269110288.db2.gz XPYUVGAMCQRBRR-NSHDSACASA-N 0 3 363.370 0.959 10 5 FCBEHN CNC(=O)C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001560147929 1269192180 /nfs/dbraw/zinc/19/21/80/1269192180.db2.gz FAVDZAHYZCZFAL-LBPRGKRZSA-N 0 3 353.375 0.219 10 5 FCBEHN C[C@]12CN(CC(=O)NCC3CC3)C[C@@]1(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001717631936 1287431185 /nfs/dbraw/zinc/43/11/85/1287431185.db2.gz UMFPTGHLXOBHER-DTDBQYNISA-N 0 3 364.446 0.348 10 5 FCBEHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403850 1282243405 /nfs/dbraw/zinc/24/34/05/1282243405.db2.gz NJXJXYGRPHPFPR-CJNGLKHVSA-N 0 3 350.419 0.770 10 5 FCBEHN CN(CCO)CCN(C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001585898472 1282254625 /nfs/dbraw/zinc/25/46/25/1282254625.db2.gz BQIGATCCWBIABN-UHFFFAOYSA-N 0 3 362.390 0.231 10 5 FCBEHN CCc1nocc1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001731357239 1288553499 /nfs/dbraw/zinc/55/34/99/1288553499.db2.gz GZDFSENTIFIOEK-GDBMZVCRSA-N 0 3 365.434 0.526 10 5 FCBEHN CN(C(=O)CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1nccs1 ZINC001732849882 1288594775 /nfs/dbraw/zinc/59/47/75/1288594775.db2.gz FQQXZIWNVLNKJN-WUNPDAOYSA-N 0 3 353.404 0.033 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)[C@H]1CCCOC1 ZINC001618530007 1289917721 /nfs/dbraw/zinc/91/77/21/1289917721.db2.gz UULIOGHOBHJJMZ-FZMZJTMJSA-N 0 3 353.375 0.919 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C ZINC001643560297 1290904410 /nfs/dbraw/zinc/90/44/10/1290904410.db2.gz ADNFAVXFZKZSPW-ZDUSSCGKSA-N 0 3 370.431 0.426 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)n1 ZINC001644149392 1290943496 /nfs/dbraw/zinc/94/34/96/1290943496.db2.gz DTTIILVPGLOHAP-QWHCGFSZSA-N 0 3 351.407 0.919 10 5 FCBEHN CN(CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CCOCCO ZINC001650939946 1291186198 /nfs/dbraw/zinc/18/61/98/1291186198.db2.gz VQWBNAHKMRQKIT-UHFFFAOYSA-N 0 3 362.386 0.814 10 5 FCBEHN CCCNC(=O)CN1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001677458962 1292235630 /nfs/dbraw/zinc/23/56/30/1292235630.db2.gz JTULSRBCOMMYQK-ZIAGYGMSSA-N 0 3 352.435 0.539 10 5 FCBEHN COC(=O)[C@@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001175669974 850770223 /nfs/dbraw/zinc/77/02/23/850770223.db2.gz XEIJWKVXKPWADU-MRXNPFEDSA-N 0 3 351.359 0.842 10 5 FCBEHN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(=O)N(C)CC)CC1 ZINC001266386765 859479309 /nfs/dbraw/zinc/47/93/09/859479309.db2.gz QMEHDXABJZYGRZ-HUUCEWRRSA-N 0 3 354.451 0.833 10 5 FCBEHN Cc1nc(CNCC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC001281614316 863540104 /nfs/dbraw/zinc/54/01/04/863540104.db2.gz YXBKZDRWBARCHU-TZMCWYRMSA-N 0 3 352.391 0.400 10 5 FCBEHN CN(CCN1CCCC1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001292811858 865754379 /nfs/dbraw/zinc/75/43/79/865754379.db2.gz OCEOUZGVJIAELP-UHFFFAOYSA-N 0 3 356.404 0.410 10 5 FCBEHN CN(CC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000160264828 529834769 /nfs/dbraw/zinc/83/47/69/529834769.db2.gz SYISSQKAOXHSTK-AWEZNQCLSA-N 0 3 350.419 0.994 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](N2CCOCC2)C1 ZINC000181917353 209123548 /nfs/dbraw/zinc/12/35/48/209123548.db2.gz DXPOITMGIXOWJT-GJZGRUSLSA-N 0 3 351.403 0.741 10 5 FCBEHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1CCO ZINC000452387377 249314080 /nfs/dbraw/zinc/31/40/80/249314080.db2.gz HDCOSQGIEUDZGA-OAHLLOKOSA-N 0 3 364.402 0.288 10 5 FCBEHN CN(C)C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000116785243 208333645 /nfs/dbraw/zinc/33/36/45/208333645.db2.gz FBAXUPBAKNMKPG-CQSZACIVSA-N 0 3 360.374 0.578 10 5 FCBEHN CN(C)C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000116978095 208338634 /nfs/dbraw/zinc/33/86/34/208338634.db2.gz AFCMKPZKUZTZHY-GFCCVEGCSA-N 0 3 360.370 0.839 10 5 FCBEHN CN1CCN([C@H]2CCCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000176674801 209008735 /nfs/dbraw/zinc/00/87/35/209008735.db2.gz QTQFUDALMRGYCB-HNNXBMFYSA-N 0 3 364.450 0.810 10 5 FCBEHN CNS(=O)(=O)c1ccc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131404 488159040 /nfs/dbraw/zinc/15/90/40/488159040.db2.gz CGZUBHSRPWGZRT-GFCCVEGCSA-N 0 3 372.447 0.762 10 5 FCBEHN CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000247580119 488488487 /nfs/dbraw/zinc/48/84/87/488488487.db2.gz IIQNQKOEILZZGZ-WFASDCNBSA-N 0 3 350.419 0.971 10 5 FCBEHN CN(C)CCn1cc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000125340891 488600240 /nfs/dbraw/zinc/60/02/40/488600240.db2.gz OIUVDVASIKLTSN-UHFFFAOYSA-N 0 3 360.374 0.608 10 5 FCBEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174784695 488851095 /nfs/dbraw/zinc/85/10/95/488851095.db2.gz SFRJDZPNRZEMAM-HOCLYGCPSA-N 0 3 363.422 0.773 10 5 FCBEHN CN(c1cccnn1)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174781299 488851142 /nfs/dbraw/zinc/85/11/42/488851142.db2.gz XCDBVYWCTIFLQJ-OAHLLOKOSA-N 0 3 361.406 0.543 10 5 FCBEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290087 489567101 /nfs/dbraw/zinc/56/71/01/489567101.db2.gz VBGNPVJWDZLVIZ-IACUBPJLSA-N 0 3 356.379 0.195 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CCN2CCN(C)CC2)n1 ZINC000427684715 489617676 /nfs/dbraw/zinc/61/76/76/489617676.db2.gz IFMXPCWCRKQNSY-UHFFFAOYSA-N 0 3 352.439 0.957 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)n1 ZINC000427704852 489618137 /nfs/dbraw/zinc/61/81/37/489618137.db2.gz LQQNKAQJOWPLJJ-LBPRGKRZSA-N 0 3 368.438 0.634 10 5 FCBEHN CC1(C)NC(=O)CC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000494902873 489919045 /nfs/dbraw/zinc/91/90/45/489919045.db2.gz KIBGWNVNDDQVKX-CYBMUJFWSA-N 0 3 370.431 0.520 10 5 FCBEHN CC1(C)CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000477349702 489959286 /nfs/dbraw/zinc/95/92/86/489959286.db2.gz MTERCEBKIAMLJY-UHFFFAOYSA-N 0 3 370.431 0.474 10 5 FCBEHN COc1cnccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000478468771 490021424 /nfs/dbraw/zinc/02/14/24/490021424.db2.gz KDRBLLLYDMCUDT-UHFFFAOYSA-N 0 3 373.369 0.509 10 5 FCBEHN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C1CCN(C)CC1 ZINC000408078919 490242045 /nfs/dbraw/zinc/24/20/45/490242045.db2.gz KYCJFBBZVMBAHS-GFCCVEGCSA-N 0 3 350.423 0.569 10 5 FCBEHN C[C@@H]1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551507 491315358 /nfs/dbraw/zinc/31/53/58/491315358.db2.gz AZHYNPFVABWJIH-XYPHTWIQSA-N 0 3 373.413 0.931 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000522043676 490334068 /nfs/dbraw/zinc/33/40/68/490334068.db2.gz ZSTRVGLONQSXRP-UHFFFAOYSA-N 0 3 374.401 0.977 10 5 FCBEHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)NCCN(C)C ZINC000536297262 490566917 /nfs/dbraw/zinc/56/69/17/490566917.db2.gz LVTZCVQSHBIXGL-ZDUSSCGKSA-N 0 3 353.423 0.756 10 5 FCBEHN O=C(N[C@H]1CNCCC1(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514591625 490772467 /nfs/dbraw/zinc/77/24/67/490772467.db2.gz VQFIKDWLMXYIGN-LBPRGKRZSA-N 0 3 370.360 0.819 10 5 FCBEHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000574254946 491484164 /nfs/dbraw/zinc/48/41/64/491484164.db2.gz ZCRAXSNAENLLKR-HUUCEWRRSA-N 0 3 354.407 0.985 10 5 FCBEHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000578749730 491683487 /nfs/dbraw/zinc/68/34/87/491683487.db2.gz AMQNEFVUJZNUNT-CYBMUJFWSA-N 0 3 356.404 0.165 10 5 FCBEHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000590441960 491776843 /nfs/dbraw/zinc/77/68/43/491776843.db2.gz DQJVKOMBHLUWRT-AVGNSLFASA-N 0 3 362.386 0.955 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592081893 491831110 /nfs/dbraw/zinc/83/11/10/491831110.db2.gz CVRKKKRURCFTDL-SECBINFHSA-N 0 3 362.433 0.397 10 5 FCBEHN NC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000583751007 491851284 /nfs/dbraw/zinc/85/12/84/491851284.db2.gz XPUSAIPKGNDDOS-LLVKDONJSA-N 0 3 360.292 0.769 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)nc1 ZINC000595384426 491926380 /nfs/dbraw/zinc/92/63/80/491926380.db2.gz KVNHXVMCFKUOLV-ZDUSSCGKSA-N 0 3 356.404 0.210 10 5 FCBEHN COc1ccc(NC(=O)CCN2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 ZINC000595798771 491954251 /nfs/dbraw/zinc/95/42/51/491954251.db2.gz GMLRQDPREGCLBK-UHFFFAOYSA-N 0 3 353.375 0.609 10 5 FCBEHN N[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595990370 491970048 /nfs/dbraw/zinc/97/00/48/491970048.db2.gz QGDULELZRVERBF-CHWSQXEVSA-N 0 3 353.354 0.292 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597574876 492048793 /nfs/dbraw/zinc/04/87/93/492048793.db2.gz SRDMOAZFLFYMLU-MRXNPFEDSA-N 0 3 351.359 0.852 10 5 FCBEHN Nc1ccnc2c1CN(c1ncnc(N3CCOCC3)c1[N+](=O)[O-])CC2 ZINC000598944122 492126462 /nfs/dbraw/zinc/12/64/62/492126462.db2.gz XDVVAUYVFGQRRT-UHFFFAOYSA-N 0 3 357.374 0.761 10 5 FCBEHN COC(=O)COc1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991246 492129097 /nfs/dbraw/zinc/12/90/97/492129097.db2.gz XGGCSKJASIZRNO-ZFWWWQNUSA-N 0 3 354.359 0.776 10 5 FCBEHN CN(C)S(=O)(=O)N1CC(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090565 492134580 /nfs/dbraw/zinc/13/45/80/492134580.db2.gz NFQTUTNVFYPGGF-STQMWFEESA-N 0 3 372.451 0.355 10 5 FCBEHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000599656400 492197318 /nfs/dbraw/zinc/19/73/18/492197318.db2.gz IPQDNJZBMAOFTB-XQLPTFJDSA-N 0 3 352.391 0.816 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000618924326 492243390 /nfs/dbraw/zinc/24/33/90/492243390.db2.gz XOVWDRBKYBEQRH-KRWDZBQOSA-N 0 3 374.401 0.704 10 5 FCBEHN CN(C)CCn1cc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000610869943 492265475 /nfs/dbraw/zinc/26/54/75/492265475.db2.gz IMYTUUABOUVKEV-UHFFFAOYSA-N 0 3 374.401 0.650 10 5 FCBEHN CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 ZINC000453030963 536465998 /nfs/dbraw/zinc/46/59/98/536465998.db2.gz IHWAVXMCNFTSGI-AGIUHOORSA-N 0 3 362.386 0.955 10 5 FCBEHN CN1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 ZINC000453030965 536466066 /nfs/dbraw/zinc/46/60/66/536466066.db2.gz IHWAVXMCNFTSGI-UPJWGTAASA-N 0 3 362.386 0.955 10 5 FCBEHN COC[C@@H]1C[C@@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593064615 546925903 /nfs/dbraw/zinc/92/59/03/546925903.db2.gz RXZZVQIVEZAKHX-QWHCGFSZSA-N 0 3 351.359 0.974 10 5 FCBEHN COc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592871539 546958146 /nfs/dbraw/zinc/95/81/46/546958146.db2.gz JJKRWVQJLUPXRR-NSHDSACASA-N 0 3 350.375 0.795 10 5 FCBEHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593622710 546984341 /nfs/dbraw/zinc/98/43/41/546984341.db2.gz SOLZXXQCCNNNIM-UHFFFAOYSA-N 0 3 370.431 0.298 10 5 FCBEHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594027101 546996068 /nfs/dbraw/zinc/99/60/68/546996068.db2.gz LYOFXTJPSUJCFT-NWDGAFQWSA-N 0 3 354.794 0.938 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594212519 546996965 /nfs/dbraw/zinc/99/69/65/546996965.db2.gz YHISRYLGVGFYNK-UONOGXRCSA-N 0 3 350.375 0.564 10 5 FCBEHN CC(COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[N+](=O)[O-] ZINC000813114719 669828140 /nfs/dbraw/zinc/82/81/40/669828140.db2.gz VRKRQKCEPPFWGC-GFCCVEGCSA-N 0 3 351.363 0.114 10 5 FCBEHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000841302067 670546703 /nfs/dbraw/zinc/54/67/03/670546703.db2.gz KNXYSBVJAQUDDN-UHFFFAOYSA-N 0 3 352.322 0.182 10 5 FCBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593053100 1193765483 /nfs/dbraw/zinc/76/54/83/1193765483.db2.gz WXBFCIUKUZPFAO-UHFFFAOYSA-N 0 3 363.418 0.548 10 5 FCBEHN CC1(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CNC1 ZINC000592534661 1196566256 /nfs/dbraw/zinc/56/62/56/1196566256.db2.gz GRJKARJFMMCBHD-UHFFFAOYSA-N 0 3 362.386 0.258 10 5 FCBEHN CN(C)CCN1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1=O ZINC000593052690 1196605929 /nfs/dbraw/zinc/60/59/29/1196605929.db2.gz UUIGDHLLENYDLE-UHFFFAOYSA-N 0 3 374.401 0.851 10 5 FCBEHN Cc1nn(CCC(=O)N2CCN(CCN(C)C)C(=O)C2)c(C)c1[N+](=O)[O-] ZINC000593234192 1196765535 /nfs/dbraw/zinc/76/55/35/1196765535.db2.gz GKXMXNDWWCQAMY-UHFFFAOYSA-N 0 3 366.422 0.031 10 5 FCBEHN CN(C)CCN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593321678 1196770003 /nfs/dbraw/zinc/77/00/03/1196770003.db2.gz XMLAINOHPOBWOO-UHFFFAOYSA-N 0 3 363.418 0.553 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(CCN(C)C)C(=O)C1 ZINC000593486213 1196791889 /nfs/dbraw/zinc/79/18/89/1196791889.db2.gz QDJVKYQCKLOIPW-UHFFFAOYSA-N 0 3 364.402 0.900 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000593784975 1196819956 /nfs/dbraw/zinc/81/99/56/1196819956.db2.gz XCWVGEZCUOENLX-UHFFFAOYSA-N 0 3 359.386 0.922 10 5 FCBEHN CC(COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[N+](=O)[O-] ZINC000813113529 1202990623 /nfs/dbraw/zinc/99/06/23/1202990623.db2.gz RJPDOKJNBLGCQC-BMIGLBTASA-N 0 3 361.354 0.671 10 5 FCBEHN CN(C)CCN1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1=O ZINC000844722067 1204430893 /nfs/dbraw/zinc/43/08/93/1204430893.db2.gz PMAFBSIMJXEEJG-UHFFFAOYSA-N 0 3 363.374 0.166 10 5 FCBEHN CN(C)CCN1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844762157 1204434409 /nfs/dbraw/zinc/43/44/09/1204434409.db2.gz KSIRBIMZUJERSE-UHFFFAOYSA-N 0 3 370.356 0.919 10 5 FCBEHN CCOC(=O)CNC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001192379647 1207829250 /nfs/dbraw/zinc/82/92/50/1207829250.db2.gz HUOUVXZQOIGTLX-UHFFFAOYSA-N 0 3 367.406 0.491 10 5 FCBEHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306347 1245364263 /nfs/dbraw/zinc/36/42/63/1245364263.db2.gz PMGOUBBMCYXWJB-OZVIIMIRSA-N 0 3 360.370 0.365 10 5 FCBEHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OCCCNCc2csnn2)CC1 ZINC001485442638 1263508330 /nfs/dbraw/zinc/50/83/30/1263508330.db2.gz VBIPXNGHKFZRDT-ZIAGYGMSSA-N 0 3 369.447 0.691 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc21 ZINC001497583339 1263942052 /nfs/dbraw/zinc/94/20/52/1263942052.db2.gz LUNMUTBFOQQHIQ-YMBFEGSUSA-N 0 3 358.398 0.503 10 5 FCBEHN Cc1csc2nc(CN(C)CCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc(=O)n12 ZINC001567281310 1269684311 /nfs/dbraw/zinc/68/43/11/1269684311.db2.gz JPBFWKZWCHOSEO-VXGBXAGGSA-N 0 3 365.415 0.278 10 5 FCBEHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(-c2cnn(C)c2)no1 ZINC001567333548 1269689113 /nfs/dbraw/zinc/68/91/13/1269689113.db2.gz ZLAXQAYNKHDSCT-UKRRQHHQSA-N 0 3 362.390 0.678 10 5 FCBEHN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnn(-c2ccncc2)c1 ZINC001575821561 1272482213 /nfs/dbraw/zinc/48/22/13/1272482213.db2.gz FLJGWHVDDGVPHU-ZIAGYGMSSA-N 0 3 358.358 0.169 10 5 FCBEHN COc1cccc(CN2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001713073915 1287264123 /nfs/dbraw/zinc/26/41/23/1287264123.db2.gz BKKLOCGQODBSEC-IAGOWNOFSA-N 0 3 362.430 0.594 10 5 FCBEHN CC(C)(C)n1nnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001714493482 1287324637 /nfs/dbraw/zinc/32/46/37/1287324637.db2.gz UUIJSFXUIZQRBS-VXGBXAGGSA-N 0 3 365.438 0.612 10 5 FCBEHN CN(CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC001582946863 1282055854 /nfs/dbraw/zinc/05/58/54/1282055854.db2.gz BBEOSIXZSAOUFV-HZPDHXFCSA-N 0 3 362.430 0.700 10 5 FCBEHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC001631757698 1282109086 /nfs/dbraw/zinc/10/90/86/1282109086.db2.gz PWVKZZIGDCBIMX-NSHDSACASA-N 0 3 365.386 0.941 10 5 FCBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)CCO)cc1OC ZINC001641452543 1282950905 /nfs/dbraw/zinc/95/09/05/1282950905.db2.gz FNXKIRGPVVUFTM-UHFFFAOYSA-N 0 3 355.391 0.998 10 5 FCBEHN CN(CCO)CCN(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001642422554 1283008311 /nfs/dbraw/zinc/00/83/11/1283008311.db2.gz UKSMFESUJNEPQO-UHFFFAOYSA-N 0 3 362.386 0.904 10 5 FCBEHN C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC001596175534 1286287598 /nfs/dbraw/zinc/28/75/98/1286287598.db2.gz PLMGOHFAOQSNRI-TZMCWYRMSA-N 0 3 362.434 0.670 10 5 FCBEHN COc1nscc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001724357092 1288436961 /nfs/dbraw/zinc/43/69/61/1288436961.db2.gz XPVYAKZJBFSQQS-VXGBXAGGSA-N 0 3 370.431 0.572 10 5 FCBEHN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnn(-c2ccncc2)c1 ZINC001738506217 1289693026 /nfs/dbraw/zinc/69/30/26/1289693026.db2.gz ZRIXKPYEALJLOU-RIVGAVQESA-N 0 3 370.369 0.335 10 5 FCBEHN CN1C(=O)[C@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1=O ZINC001620506372 1289994488 /nfs/dbraw/zinc/99/44/88/1289994488.db2.gz BFSOVMJJCCCTLN-MJBXVCDLSA-N 0 3 358.354 0.247 10 5 FCBEHN COc1cccc2c1CC[C@@]2(CO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538241 1289998204 /nfs/dbraw/zinc/99/82/04/1289998204.db2.gz RXZLPSCEVANOAH-DYVFJYSZSA-N 0 3 362.386 0.584 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001627401863 1290460940 /nfs/dbraw/zinc/46/09/40/1290460940.db2.gz BERHOSOWILTXCD-UHFFFAOYSA-N 0 3 370.431 0.427 10 5 FCBEHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CN1C1CC1 ZINC001630423185 1290668856 /nfs/dbraw/zinc/66/88/56/1290668856.db2.gz LFFHDPVWGXJQLB-WDEREUQCSA-N 0 3 357.374 0.926 10 5 FCBEHN COCCN(C)CCN1C[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)CC1=O ZINC001651161019 1291199607 /nfs/dbraw/zinc/19/96/07/1291199607.db2.gz NILMPCNKXAQKRQ-LBPRGKRZSA-N 0 3 354.411 0.228 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001660398034 1291657841 /nfs/dbraw/zinc/65/78/41/1291657841.db2.gz HSRSORSXZNRUNR-FRRDWIJNSA-N 0 3 373.431 0.191 10 5 FCBEHN Cc1ncsc1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265243302 859454782 /nfs/dbraw/zinc/45/47/82/859454782.db2.gz MVNIWWBUKPEJEA-ZIAGYGMSSA-N 0 3 367.475 0.741 10 5 FCBEHN O=C(NC/C=C\CNCc1cc(=O)n2ccsc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC001274014829 860660094 /nfs/dbraw/zinc/66/00/94/860660094.db2.gz DLYULHKYHJTZIO-JZIZGNRHSA-N 0 3 363.399 0.183 10 5 FCBEHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295457672 214299351 /nfs/dbraw/zinc/29/93/51/214299351.db2.gz PZAKXDDPSILMOZ-VBQJREDUSA-N 0 3 351.403 0.739 10 5 FCBEHN CN(C)C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000183666475 209150429 /nfs/dbraw/zinc/15/04/29/209150429.db2.gz WZMGXUIIWADPOK-OAHLLOKOSA-N 0 3 357.432 0.730 10 5 FCBEHN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]2N)cn1 ZINC000424395677 247207067 /nfs/dbraw/zinc/20/70/67/247207067.db2.gz VXBFZOOPDKIUEL-VHSXEESVSA-N 0 3 357.417 0.505 10 5 FCBEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000116792212 208333142 /nfs/dbraw/zinc/33/31/42/208333142.db2.gz YNONYLDCGZBFER-CYBMUJFWSA-N 0 3 360.374 0.578 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000326452762 488915069 /nfs/dbraw/zinc/91/50/69/488915069.db2.gz UDLUKGUJBITFEZ-JTQLQIEISA-N 0 3 357.388 0.611 10 5 FCBEHN COCCN1CCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000068911166 488369828 /nfs/dbraw/zinc/36/98/28/488369828.db2.gz KWSHMNGHRQGRHL-NSHDSACASA-N 0 3 358.420 0.765 10 5 FCBEHN CCN(CC)C(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075675290 488398230 /nfs/dbraw/zinc/39/82/30/488398230.db2.gz HUIQWRYHRXLTEL-OAHLLOKOSA-N 0 3 353.423 0.733 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000173288216 488842109 /nfs/dbraw/zinc/84/21/09/488842109.db2.gz KEZGETWIMOXZRW-OAHLLOKOSA-N 0 3 364.450 0.728 10 5 FCBEHN COC(=O)c1cc(C)nc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000367717678 489210200 /nfs/dbraw/zinc/21/02/00/489210200.db2.gz VNBYWGKHKRJSCD-VXGBXAGGSA-N 0 3 350.375 1.360 10 5 FCBEHN COC(=O)c1ccc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416509546 489602824 /nfs/dbraw/zinc/60/28/24/489602824.db2.gz FNGTUSILURBYAD-UHFFFAOYSA-N 0 3 359.404 1.000 10 5 FCBEHN COc1cnccc1N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000478462749 490020801 /nfs/dbraw/zinc/02/08/01/490020801.db2.gz AOEXHLPPLRUSRD-UHFFFAOYSA-N 0 3 373.369 0.509 10 5 FCBEHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000564857210 491331825 /nfs/dbraw/zinc/33/18/25/491331825.db2.gz ZBRYZHYFYPZYKB-JKSUJKDBSA-N 0 3 359.386 0.937 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536432553 490578080 /nfs/dbraw/zinc/57/80/80/490578080.db2.gz FTHIJHSIMUWAKY-HUUCEWRRSA-N 0 3 374.401 0.186 10 5 FCBEHN CCN1CC[C@H]2OCCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000502664154 490714710 /nfs/dbraw/zinc/71/47/10/490714710.db2.gz CZWRYTYZEVOJAF-UONOGXRCSA-N 0 3 351.407 0.848 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000513432463 490728510 /nfs/dbraw/zinc/72/85/10/490728510.db2.gz AAGMDPMNQMEWLE-HNNXBMFYSA-N 0 3 363.418 0.971 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445058 491777202 /nfs/dbraw/zinc/77/72/02/491777202.db2.gz PXDQOUJUXODDOP-ZYHUDNBSSA-N 0 3 354.388 0.018 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590539363 491778387 /nfs/dbraw/zinc/77/83/87/491778387.db2.gz SDHCNJAIRJVMPO-KRWDZBQOSA-N 0 3 350.419 0.946 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591982786 491826530 /nfs/dbraw/zinc/82/65/30/491826530.db2.gz RMDHYGGEKYWURW-LLVKDONJSA-N 0 3 370.431 0.555 10 5 FCBEHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594918737 491872012 /nfs/dbraw/zinc/87/20/12/491872012.db2.gz RUNABPCGLOPLSL-ZLKJLUDKSA-N 0 3 371.415 0.660 10 5 FCBEHN CCC1(N2CCOCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000600684731 491875774 /nfs/dbraw/zinc/87/57/74/491875774.db2.gz YBWVVKSFSSQOAD-UHFFFAOYSA-N 0 3 351.407 0.895 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[NH2+]Cc2cccnc2)nc1 ZINC000595105447 491884288 /nfs/dbraw/zinc/88/42/88/491884288.db2.gz OJZYJOQEIRIEDP-UHFFFAOYSA-N 0 3 351.388 0.843 10 5 FCBEHN NCC12CC(C1)CN2C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595279350 491911880 /nfs/dbraw/zinc/91/18/80/491911880.db2.gz IYYDIMIALOVEDZ-UHFFFAOYSA-N 0 3 360.414 0.983 10 5 FCBEHN CCn1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c([N+](=O)[O-])n1 ZINC000595384736 491926267 /nfs/dbraw/zinc/92/62/67/491926267.db2.gz LSVDUZVGZIHIRL-LBPRGKRZSA-N 0 3 373.435 0.031 10 5 FCBEHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595384888 491926920 /nfs/dbraw/zinc/92/69/20/491926920.db2.gz PKWOIIWUGIOVIL-OAHLLOKOSA-N 0 3 369.443 0.956 10 5 FCBEHN Cc1c(C(=O)N2CCOC3(CNC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000596097703 491975481 /nfs/dbraw/zinc/97/54/81/491975481.db2.gz JMUGMRXGLLFWNX-UHFFFAOYSA-N 0 3 358.358 0.298 10 5 FCBEHN CCN(C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944556 492074137 /nfs/dbraw/zinc/07/41/37/492074137.db2.gz FCVFGTWSIIOEIE-CYBMUJFWSA-N 0 3 364.402 0.886 10 5 FCBEHN CCN(C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944557 492074148 /nfs/dbraw/zinc/07/41/48/492074148.db2.gz FCVFGTWSIIOEIE-ZDUSSCGKSA-N 0 3 364.402 0.886 10 5 FCBEHN CC[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C)N1 ZINC000598535375 492103624 /nfs/dbraw/zinc/10/36/24/492103624.db2.gz CYCBDBDNPOVSKQ-WDEREUQCSA-N 0 3 360.370 0.790 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)n1 ZINC000599100728 492135391 /nfs/dbraw/zinc/13/53/91/492135391.db2.gz MQKAHFYWFLTGFD-CMPLNLGQSA-N 0 3 369.378 0.583 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)n1 ZINC000599101594 492135431 /nfs/dbraw/zinc/13/54/31/492135431.db2.gz ROGPQJUVEUXQMA-NWDGAFQWSA-N 0 3 369.378 0.583 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)n1 ZINC000599229075 492145760 /nfs/dbraw/zinc/14/57/60/492145760.db2.gz PKKGQEMTXJTCGN-GFCCVEGCSA-N 0 3 357.436 0.967 10 5 FCBEHN CCC1(N2CCOCC2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599670449 492198875 /nfs/dbraw/zinc/19/88/75/492198875.db2.gz WEBNVABDELJQLI-INIZCTEOSA-N 0 3 367.450 0.729 10 5 FCBEHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007702 492228393 /nfs/dbraw/zinc/22/83/93/492228393.db2.gz YECJJJQMQZRODV-UHFFFAOYSA-N 0 3 364.402 0.470 10 5 FCBEHN Cc1ccc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592083118 546944645 /nfs/dbraw/zinc/94/46/45/546944645.db2.gz QHWOKUBOZAFVRH-LBPRGKRZSA-N 0 3 370.431 0.644 10 5 FCBEHN CC1(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CNC1 ZINC000592495042 546951795 /nfs/dbraw/zinc/95/17/95/546951795.db2.gz AUBPNXMXCPNOAF-UHFFFAOYSA-N 0 3 368.415 0.319 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000592879470 546960151 /nfs/dbraw/zinc/96/01/51/546960151.db2.gz LWTDFWFKTBSORP-LBPRGKRZSA-N 0 3 350.375 0.552 10 5 FCBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593051249 1192419910 /nfs/dbraw/zinc/41/99/10/1192419910.db2.gz YMCIUGGFXYODEC-UHFFFAOYSA-N 0 3 364.402 0.587 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593235732 1196766096 /nfs/dbraw/zinc/76/60/96/1196766096.db2.gz XMHKRUMIDBFRRP-UHFFFAOYSA-N 0 3 373.413 0.782 10 5 FCBEHN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ccn[nH]2)CC1 ZINC001488876816 1208570488 /nfs/dbraw/zinc/57/04/88/1208570488.db2.gz OHOKCJSUKFLHHA-DGCLKSJQSA-N 0 3 365.390 0.202 10 5 FCBEHN CN(C)Cc1ccoc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501146508 1264104094 /nfs/dbraw/zinc/10/40/94/1264104094.db2.gz OZPSYDVQQCRKHA-CHWSQXEVSA-N 0 3 352.391 0.537 10 5 FCBEHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420500 1265312493 /nfs/dbraw/zinc/31/24/93/1265312493.db2.gz CAOUTCBOMYKKKM-GJZGRUSLSA-N 0 3 361.406 0.377 10 5 FCBEHN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccn(-c2ccncc2)n1 ZINC001533490558 1267220220 /nfs/dbraw/zinc/22/02/20/1267220220.db2.gz AGKVTEMOLFMTSJ-HYTVEURUSA-N 0 3 370.369 0.335 10 5 FCBEHN Cc1[nH]cnc1CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001556137186 1268818464 /nfs/dbraw/zinc/81/84/64/1268818464.db2.gz HVSUZJCRRBWZMJ-UHFFFAOYSA-N 0 3 352.372 0.759 10 5 FCBEHN CC(C)CN(C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001566971987 1269671634 /nfs/dbraw/zinc/67/16/34/1269671634.db2.gz ZOUWZKFRSCUYKM-GAGVYUBLSA-N 0 3 364.446 0.345 10 5 FCBEHN Cn1nc(C2CC2)nc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001714133347 1287314691 /nfs/dbraw/zinc/31/46/91/1287314691.db2.gz NBUZTABOCLPYOM-CHWSQXEVSA-N 0 3 362.434 0.876 10 5 FCBEHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993637 1282129124 /nfs/dbraw/zinc/12/91/24/1282129124.db2.gz DRTHWWAFWQJOGJ-UONOGXRCSA-N 0 3 372.385 0.769 10 5 FCBEHN CN1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001633496342 1282248055 /nfs/dbraw/zinc/24/80/55/1282248055.db2.gz BWRAHBSEMDXWOO-MRXNPFEDSA-N 0 3 351.359 0.553 10 5 FCBEHN O=C(N[C@H](CO)CN1CCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001625505587 1290345660 /nfs/dbraw/zinc/34/56/60/1290345660.db2.gz PBDPXNLCKWXRKG-ZDUSSCGKSA-N 0 3 360.374 0.362 10 5 FCBEHN CC(C)(C(=O)NC[C@H]1CCN1C1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC001626697341 1290410523 /nfs/dbraw/zinc/41/05/23/1290410523.db2.gz KZDXXHGGYKTMEM-CYBMUJFWSA-N 0 3 351.407 0.896 10 5 FCBEHN CN1CCCC[C@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC001627289586 1290451947 /nfs/dbraw/zinc/45/19/47/1290451947.db2.gz JNEGXFQKCNOTEY-LBPRGKRZSA-N 0 3 360.370 0.791 10 5 FCBEHN CS(=O)(=O)c1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001652687524 1291291313 /nfs/dbraw/zinc/29/13/13/1291291313.db2.gz ZEIILKAFJUMJDJ-NSHDSACASA-N 0 3 369.399 0.201 10 5 FCBEHN CNC(=O)C1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001655605357 1291478520 /nfs/dbraw/zinc/47/85/20/1291478520.db2.gz YYMNONLLVOJTQN-UHFFFAOYSA-N 0 3 350.375 0.808 10 5 FCBEHN CN(CCNCc1csc(-c2ncccn2)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371928 859505938 /nfs/dbraw/zinc/50/59/38/859505938.db2.gz ZWJZMFIHOMNQMJ-VXGBXAGGSA-N 0 3 362.415 0.813 10 5 FCBEHN Cc1ncc(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001274910541 860870099 /nfs/dbraw/zinc/87/00/99/860870099.db2.gz NQNZVHAOYCAQFD-CHWSQXEVSA-N 0 3 354.432 0.560 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCC(C(=O)OC)CC2)n1 ZINC000427507781 247529915 /nfs/dbraw/zinc/52/99/15/247529915.db2.gz WBLUGJPUMJGGOV-UHFFFAOYSA-N 0 3 367.406 0.816 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444453790 248359708 /nfs/dbraw/zinc/35/97/08/248359708.db2.gz KIHMFJUGAAMGLL-UHFFFAOYSA-N 0 3 360.374 0.782 10 5 FCBEHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119810380 208367442 /nfs/dbraw/zinc/36/74/42/208367442.db2.gz ZODOLWHNSRNLNA-HNNXBMFYSA-N 0 3 359.386 0.327 10 5 FCBEHN O=c1c([N+](=O)[O-])c(N2CCN(C[C@H]3CCOC3)CC2)nc2ccccn21 ZINC000301519805 488881096 /nfs/dbraw/zinc/88/10/96/488881096.db2.gz CXSISASSOWPEQR-CYBMUJFWSA-N 0 3 359.386 0.761 10 5 FCBEHN CNS(=O)(=O)c1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131403 488159026 /nfs/dbraw/zinc/15/90/26/488159026.db2.gz CGZUBHSRPWGZRT-LBPRGKRZSA-N 0 3 372.447 0.762 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000191854970 488421246 /nfs/dbraw/zinc/42/12/46/488421246.db2.gz OGYLWTOOJLUFLG-GFCCVEGCSA-N 0 3 364.406 0.190 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000191854958 488421426 /nfs/dbraw/zinc/42/14/26/488421426.db2.gz OGYLWTOOJLUFLG-LBPRGKRZSA-N 0 3 364.406 0.190 10 5 FCBEHN Cn1cc([C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891136 491201509 /nfs/dbraw/zinc/20/15/09/491201509.db2.gz RQLPISDLPMPQHZ-CABCVRRESA-N 0 3 364.406 0.379 10 5 FCBEHN O=C1C[C@@H](c2ccccc2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000247644832 488489191 /nfs/dbraw/zinc/48/91/91/488489191.db2.gz UFWSVMGCRSOVGV-CVEARBPZSA-N 0 3 359.386 0.715 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)CN3CCOCC3)C2)nc1 ZINC000122268846 488576787 /nfs/dbraw/zinc/57/67/87/488576787.db2.gz GWWJKMRMOXSRKH-UKRRQHHQSA-N 0 3 351.407 0.169 10 5 FCBEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290089 489567082 /nfs/dbraw/zinc/56/70/82/489567082.db2.gz VBGNPVJWDZLVIZ-YUTCNCBUSA-N 0 3 356.379 0.195 10 5 FCBEHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000426488522 489570159 /nfs/dbraw/zinc/57/01/59/489570159.db2.gz VPSXRHJCEXSGFR-CYBMUJFWSA-N 0 3 364.402 0.891 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(CC)CC2)n1 ZINC000427851842 489623659 /nfs/dbraw/zinc/62/36/59/489623659.db2.gz DKZZDTPREBRVBX-UHFFFAOYSA-N 0 3 352.439 0.959 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@](O)(CO)C1 ZINC000459653260 489746130 /nfs/dbraw/zinc/74/61/30/489746130.db2.gz XPMDKLHWNFVSBI-MRXNPFEDSA-N 0 3 353.375 0.751 10 5 FCBEHN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C1CCN(C)CC1 ZINC000408078921 490241824 /nfs/dbraw/zinc/24/18/24/490241824.db2.gz KYCJFBBZVMBAHS-LBPRGKRZSA-N 0 3 350.423 0.569 10 5 FCBEHN Cc1[nH]nc(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408080948 490242862 /nfs/dbraw/zinc/24/28/62/490242862.db2.gz TTZXVFKTHVIGKV-NSHDSACASA-N 0 3 350.423 0.867 10 5 FCBEHN Cc1n[nH]c(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408080948 490242869 /nfs/dbraw/zinc/24/28/69/490242869.db2.gz TTZXVFKTHVIGKV-NSHDSACASA-N 0 3 350.423 0.867 10 5 FCBEHN CCN1CCC[C@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000511531958 490601533 /nfs/dbraw/zinc/60/15/33/490601533.db2.gz KPHNDHXSXUYCEV-ZDUSSCGKSA-N 0 3 364.402 0.934 10 5 FCBEHN CS(=O)(=O)N1CC[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085862 490762045 /nfs/dbraw/zinc/76/20/45/490762045.db2.gz ZMHQVFNLJJUJMW-STQMWFEESA-N 0 3 369.447 0.758 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000517577491 490913060 /nfs/dbraw/zinc/91/30/60/490913060.db2.gz WWPPCVFZXCNENE-UHFFFAOYSA-N 0 3 363.418 0.971 10 5 FCBEHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000574254944 491484032 /nfs/dbraw/zinc/48/40/32/491484032.db2.gz ZCRAXSNAENLLKR-CABCVRRESA-N 0 3 354.407 0.985 10 5 FCBEHN CN1C[C@H]2[C@@H](CCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000590442281 491776730 /nfs/dbraw/zinc/77/67/30/491776730.db2.gz FGBZVYVTFVYJQS-AAEUAGOBSA-N 0 3 364.427 0.948 10 5 FCBEHN COc1c(F)cc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595122623 491885658 /nfs/dbraw/zinc/88/56/58/491885658.db2.gz PIXJYQXVUSVZSZ-PSASIEDQSA-N 0 3 351.331 0.802 10 5 FCBEHN N[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1F ZINC000595260910 491908156 /nfs/dbraw/zinc/90/81/56/491908156.db2.gz NCCKDCJQBBPXGG-GMTAPVOTSA-N 0 3 354.338 0.690 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)s1 ZINC000595383208 491926321 /nfs/dbraw/zinc/92/63/21/491926321.db2.gz AWJNUVPZMJKBRU-LLVKDONJSA-N 0 3 361.445 0.876 10 5 FCBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000595912259 491961121 /nfs/dbraw/zinc/96/11/21/491961121.db2.gz YABZITGHNGAFIL-AWEZNQCLSA-N 0 3 374.449 0.804 10 5 FCBEHN CCS(=O)(=O)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000596065880 491974178 /nfs/dbraw/zinc/97/41/78/491974178.db2.gz XVXNFFZXADFPBS-GFCCVEGCSA-N 0 3 358.416 0.891 10 5 FCBEHN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCOC2(CNC2)C1 ZINC000596105068 491975594 /nfs/dbraw/zinc/97/55/94/491975594.db2.gz MJXSMNVPCURCLC-UHFFFAOYSA-N 0 3 362.386 0.246 10 5 FCBEHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598535507 492103600 /nfs/dbraw/zinc/10/36/00/492103600.db2.gz DYGHTXZSFNSFBK-GFCCVEGCSA-N 0 3 352.395 0.288 10 5 FCBEHN COc1cc(CCNC(=O)COC2(C)CNC2)c([N+](=O)[O-])cc1OC ZINC000592481022 546951882 /nfs/dbraw/zinc/95/18/82/546951882.db2.gz UEYOIOWIMLZQDS-UHFFFAOYSA-N 0 3 353.375 0.649 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592877912 546960123 /nfs/dbraw/zinc/96/01/23/546960123.db2.gz AVNBMXVDBCGWPG-LLVKDONJSA-N 0 3 352.395 0.068 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593235382 546964349 /nfs/dbraw/zinc/96/43/49/546964349.db2.gz QBBBYKCRPOHFIC-UHFFFAOYSA-N 0 3 350.375 0.449 10 5 FCBEHN COc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593231996 546964657 /nfs/dbraw/zinc/96/46/57/546964657.db2.gz CRSICSKVTGFTQD-UHFFFAOYSA-N 0 3 350.375 0.449 10 5 FCBEHN CN(C)CCN1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1=O ZINC000593486364 546968708 /nfs/dbraw/zinc/96/87/08/546968708.db2.gz ULDFGYVHXDTOTM-UHFFFAOYSA-N 0 3 372.223 0.963 10 5 FCBEHN CS(=O)(=O)c1cc(C(=O)N[C@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451949 546999042 /nfs/dbraw/zinc/99/90/42/546999042.db2.gz UTTSUGVVEAXIQW-SECBINFHSA-N 0 3 355.294 0.618 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000594534430 547001749 /nfs/dbraw/zinc/00/17/49/547001749.db2.gz YMCZHRQESCFWMS-SECBINFHSA-N 0 3 350.253 0.548 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000845967559 671058789 /nfs/dbraw/zinc/05/87/89/671058789.db2.gz CZSABDDYCAHQGC-UHFFFAOYSA-N 0 3 374.394 0.128 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001483007273 1192700049 /nfs/dbraw/zinc/70/00/49/1192700049.db2.gz IKTHLLROMORYJF-GEYXIOIISA-N 0 3 350.350 0.691 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592878047 1196740115 /nfs/dbraw/zinc/74/01/15/1196740115.db2.gz CUPBPVBVHPGNDE-JTQLQIEISA-N 0 3 360.374 0.663 10 5 FCBEHN CN(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593233424 1196764771 /nfs/dbraw/zinc/76/47/71/1196764771.db2.gz ONIMLGIFLPNVCD-JKSUJKDBSA-N 0 3 360.414 0.931 10 5 FCBEHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000816948887 1203083579 /nfs/dbraw/zinc/08/35/79/1203083579.db2.gz JIRGHOUIIZSWMG-BXUZGUMPSA-N 0 3 363.370 0.957 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844042429 1203331497 /nfs/dbraw/zinc/33/14/97/1203331497.db2.gz WDAMGFYYKOPGEQ-LBPRGKRZSA-N 0 3 374.401 0.523 10 5 FCBEHN CN(C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1=O ZINC000844764607 1204434270 /nfs/dbraw/zinc/43/42/70/1204434270.db2.gz LGBLYYCJDMUDLS-UHFFFAOYSA-N 0 3 368.365 0.345 10 5 FCBEHN O=C1NCC2(CCOCC2)[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198146725 1208224007 /nfs/dbraw/zinc/22/40/07/1208224007.db2.gz GOTMNWPXJIZAQC-IUODEOHRSA-N 0 3 365.386 0.219 10 5 FCBEHN CC(C)CCOCCN1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001274467916 1211061158 /nfs/dbraw/zinc/06/11/58/1211061158.db2.gz LQWNAPDDTPCDTQ-IAGOWNOFSA-N 0 3 368.478 0.543 10 5 FCBEHN CCCn1nnnc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001276201095 1211380355 /nfs/dbraw/zinc/38/03/55/1211380355.db2.gz ZVZXMYUAOJNUSJ-CHWSQXEVSA-N 0 3 365.438 0.657 10 5 FCBEHN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnn(-c2ccncc2)c1 ZINC001296064500 1262789567 /nfs/dbraw/zinc/78/95/67/1262789567.db2.gz DGJNEWGKIJLLRC-ZIAGYGMSSA-N 0 3 358.358 0.121 10 5 FCBEHN Cc1cc(CC(=O)NCCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC001297604394 1262884478 /nfs/dbraw/zinc/88/44/78/1262884478.db2.gz OBIQJTUDOGQCDM-HUUCEWRRSA-N 0 3 363.418 0.671 10 5 FCBEHN CNc1nccc(C(=O)NCC(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC001297879465 1262899337 /nfs/dbraw/zinc/89/93/37/1262899337.db2.gz BPLIQYHTPXTAMQ-UHFFFAOYSA-N 0 3 364.406 0.363 10 5 FCBEHN O=C(CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC001297880075 1262900051 /nfs/dbraw/zinc/90/00/51/1262900051.db2.gz PXVSOILOYVDALR-MRXNPFEDSA-N 0 3 364.402 0.347 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1CN1CCC(O)CC1 ZINC001318950076 1263631067 /nfs/dbraw/zinc/63/10/67/1263631067.db2.gz ULYUMOJCUNAFOD-UHFFFAOYSA-N 0 3 374.401 0.459 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001497582352 1263940713 /nfs/dbraw/zinc/94/07/13/1263940713.db2.gz CWOJSYVMJVOSJB-WXVGIEASSA-N 0 3 368.340 0.831 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]2(COC)CN(C)C)n1 ZINC001533307776 1267214153 /nfs/dbraw/zinc/21/41/53/1267214153.db2.gz FULMRKBBJWYBDS-HNNXBMFYSA-N 0 3 355.395 0.230 10 5 FCBEHN C[C@H](c1ccncc1)N1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001340927531 1268711899 /nfs/dbraw/zinc/71/18/99/1268711899.db2.gz GGJYBVLKESKFAF-GFCCVEGCSA-N 0 3 359.390 0.923 10 5 FCBEHN C[C@@H](c1ccncc1)N1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001340927532 1268712096 /nfs/dbraw/zinc/71/20/96/1268712096.db2.gz GGJYBVLKESKFAF-LBPRGKRZSA-N 0 3 359.390 0.923 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN(C)CCO ZINC001557695462 1268966342 /nfs/dbraw/zinc/96/63/42/1268966342.db2.gz UHDIBOQKYRRUDP-LBPRGKRZSA-N 0 3 356.427 0.210 10 5 FCBEHN Cc1cnc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC001566640095 1269652286 /nfs/dbraw/zinc/65/22/86/1269652286.db2.gz SBOFYDHYDRFJLD-HUUCEWRRSA-N 0 3 362.434 0.074 10 5 FCBEHN CC(C)N(CCN(C)C(=O)CCc1c[nH]cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001572508030 1270084322 /nfs/dbraw/zinc/08/43/22/1270084322.db2.gz WLSVRHDDLMQGLJ-ZIAGYGMSSA-N 0 3 351.407 0.703 10 5 FCBEHN O=C(CCc1c[nH]cn1)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001572699133 1270108542 /nfs/dbraw/zinc/10/85/42/1270108542.db2.gz DYPYFKNJYQYHNL-HUUCEWRRSA-N 0 3 361.402 0.673 10 5 FCBEHN CN(CCNCc1csc(-c2cnn(C)c2)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714704777 1287330464 /nfs/dbraw/zinc/33/04/64/1287330464.db2.gz VWZFMWZYZOEUPC-CHWSQXEVSA-N 0 3 364.431 0.757 10 5 FCBEHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001631900151 1282132870 /nfs/dbraw/zinc/13/28/70/1282132870.db2.gz OODFMSUMFFOIOP-ZDUSSCGKSA-N 0 3 364.406 0.040 10 5 FCBEHN CS(=O)(=O)c1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001597700891 1286357652 /nfs/dbraw/zinc/35/76/52/1286357652.db2.gz LQHMZBJGDVKEBX-NSHDSACASA-N 0 3 369.399 0.201 10 5 FCBEHN COC1(OC)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC001654637918 1291422910 /nfs/dbraw/zinc/42/29/10/1291422910.db2.gz ONGXGLQVUMFOIH-AWEZNQCLSA-N 0 3 353.375 0.979 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001134086125 849173307 /nfs/dbraw/zinc/17/33/07/849173307.db2.gz YWYXHOTYWZFZPJ-AWEZNQCLSA-N 0 3 351.407 0.859 10 5 FCBEHN CN1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001141197026 849385880 /nfs/dbraw/zinc/38/58/80/849385880.db2.gz QRLRIKIDQWGLJR-PWSUYJOCSA-N 0 3 354.388 0.018 10 5 FCBEHN O=C(NC/C=C\CNCc1ccn(CC(F)(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001268542648 859534589 /nfs/dbraw/zinc/53/45/89/859534589.db2.gz RIHDKDAPSAUOSK-JZIZGNRHSA-N 0 3 361.324 0.873 10 5 FCBEHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246273080 209383167 /nfs/dbraw/zinc/38/31/67/209383167.db2.gz MOVBOLOXBMCUJU-IAGOWNOFSA-N 0 3 362.430 0.867 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000181974960 209126102 /nfs/dbraw/zinc/12/61/02/209126102.db2.gz HETKUMLNXTWKSH-VYDXJSESSA-N 0 3 365.430 0.987 10 5 FCBEHN COC(=O)c1cc(C(=O)NC[C@@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000269637590 211028626 /nfs/dbraw/zinc/02/86/26/211028626.db2.gz XGKMUTSLKASYTK-OAHLLOKOSA-N 0 3 365.386 0.958 10 5 FCBEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269596815 211019278 /nfs/dbraw/zinc/01/92/78/211019278.db2.gz NZWPJYNFECOYEH-LBPRGKRZSA-N 0 3 365.386 0.943 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000308568182 488895231 /nfs/dbraw/zinc/89/52/31/488895231.db2.gz AWGNUSGWAUNIQQ-UHFFFAOYSA-N 0 3 359.404 1.000 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000273365873 488646872 /nfs/dbraw/zinc/64/68/72/488646872.db2.gz GBHXBNBMXCXVDI-UHFFFAOYSA-N 0 3 364.402 0.685 10 5 FCBEHN Cc1ccc(N2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000172841171 488838572 /nfs/dbraw/zinc/83/85/72/488838572.db2.gz PJQPNOKBXVBLGK-HNNXBMFYSA-N 0 3 361.406 0.463 10 5 FCBEHN CCN1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000298516151 489333953 /nfs/dbraw/zinc/33/39/53/489333953.db2.gz SJWLLTJUNSGRIK-UHFFFAOYSA-N 0 3 372.447 0.519 10 5 FCBEHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617824 491258837 /nfs/dbraw/zinc/25/88/37/491258837.db2.gz HLSKTNONQYEIPY-HUUCEWRRSA-N 0 3 360.374 0.332 10 5 FCBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000415898299 489564251 /nfs/dbraw/zinc/56/42/51/489564251.db2.gz TTWFMGUSQSXDRG-UHFFFAOYSA-N 0 3 364.358 0.133 10 5 FCBEHN COC(=O)COc1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000474347381 489755865 /nfs/dbraw/zinc/75/58/65/489755865.db2.gz FNPYVAATTHYNOM-LBPRGKRZSA-N 0 3 351.359 0.857 10 5 FCBEHN C[C@@H]1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551505 491315310 /nfs/dbraw/zinc/31/53/10/491315310.db2.gz AZHYNPFVABWJIH-KBRIMQKVSA-N 0 3 373.413 0.931 10 5 FCBEHN COc1ccc(CC(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000523703212 490488131 /nfs/dbraw/zinc/48/81/31/490488131.db2.gz XGBLTUSZAWOJMH-UHFFFAOYSA-N 0 3 350.419 0.852 10 5 FCBEHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958104 490732506 /nfs/dbraw/zinc/73/25/06/490732506.db2.gz VLTLGWDMZFOHDR-BZNIZROVSA-N 0 3 368.390 0.221 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNc1ccncc1 ZINC000488532851 490763939 /nfs/dbraw/zinc/76/39/39/490763939.db2.gz OGIDJYXLCUYMTK-ZDUSSCGKSA-N 0 3 361.406 0.872 10 5 FCBEHN Cc1nc(NCCN2CCCC2)nc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000540284638 490813898 /nfs/dbraw/zinc/81/38/98/490813898.db2.gz IPMGWGRJYUJCGR-UHFFFAOYSA-N 0 3 363.466 0.552 10 5 FCBEHN COC(=O)c1cc(C)nc(NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000557491339 491377448 /nfs/dbraw/zinc/37/74/48/491377448.db2.gz CRDBPZQPPYODNX-UHFFFAOYSA-N 0 3 365.434 1.524 10 5 FCBEHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590338040 491773836 /nfs/dbraw/zinc/77/38/36/491773836.db2.gz RAWSJFWZPAEZSQ-KRWDZBQOSA-N 0 3 365.386 0.895 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590338041 491773872 /nfs/dbraw/zinc/77/38/72/491773872.db2.gz RAWSJFWZPAEZSQ-QGZVFWFLSA-N 0 3 365.386 0.895 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590445009 491777065 /nfs/dbraw/zinc/77/70/65/491777065.db2.gz PJUVNJYQMAZZQY-RISCZKNCSA-N 0 3 360.370 0.483 10 5 FCBEHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590565000 491779460 /nfs/dbraw/zinc/77/94/60/491779460.db2.gz IJUUUKQOZGPDOK-KGLIPLIRSA-N 0 3 350.375 0.078 10 5 FCBEHN COC(=O)c1cnc(N2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000591983833 491826641 /nfs/dbraw/zinc/82/66/41/491826641.db2.gz BDMMYFYCRLCHHP-SNVBAGLBSA-N 0 3 351.363 0.333 10 5 FCBEHN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC000595385265 491926962 /nfs/dbraw/zinc/92/69/62/491926962.db2.gz XYOKCRSKZLHVML-AWEZNQCLSA-N 0 3 355.416 0.815 10 5 FCBEHN COc1cc(OCC(=O)N2CCC[C@@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000597575240 492048634 /nfs/dbraw/zinc/04/86/34/492048634.db2.gz VPSRDSOCARVBBR-QGZVFWFLSA-N 0 3 367.402 0.897 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000615279007 492084711 /nfs/dbraw/zinc/08/47/11/492084711.db2.gz IOWOZGSEBAFGRU-UHFFFAOYSA-N 0 3 365.434 0.660 10 5 FCBEHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598535578 492103801 /nfs/dbraw/zinc/10/38/01/492103801.db2.gz GYOIYJBQXUGLQC-AWEZNQCLSA-N 0 3 351.407 0.893 10 5 FCBEHN CCOCCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000174782715 528751462 /nfs/dbraw/zinc/75/14/62/528751462.db2.gz DGQRHSXBAIOUBD-ZBFHGGJFSA-N 0 3 355.439 0.585 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592083246 546944330 /nfs/dbraw/zinc/94/43/30/546944330.db2.gz SICCWVQHXMFYJA-LLVKDONJSA-N 0 3 356.404 0.335 10 5 FCBEHN COc1cccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592870387 546958463 /nfs/dbraw/zinc/95/84/63/546958463.db2.gz CEJFXDFEVRKVIK-NSHDSACASA-N 0 3 350.375 0.795 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000593232723 546964428 /nfs/dbraw/zinc/96/44/28/546964428.db2.gz CGDUOTLDTODBGB-UHFFFAOYSA-N 0 3 352.366 0.509 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000593621850 546984465 /nfs/dbraw/zinc/98/44/65/546984465.db2.gz MCMDMCKKOPZMOU-UHFFFAOYSA-N 0 3 362.433 0.051 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001483007274 1192700158 /nfs/dbraw/zinc/70/01/58/1192700158.db2.gz IKTHLLROMORYJF-KOMGFDSOSA-N 0 3 350.350 0.691 10 5 FCBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593052976 1196605889 /nfs/dbraw/zinc/60/58/89/1196605889.db2.gz VLRYTUWSEOXSFI-UHFFFAOYSA-N 0 3 363.418 0.548 10 5 FCBEHN CN(C)CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053282 1196606199 /nfs/dbraw/zinc/60/61/99/1196606199.db2.gz YSNXYHDSEDWYAC-CQSZACIVSA-N 0 3 366.418 0.040 10 5 FCBEHN CC(COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[N+](=O)[O-] ZINC000813113533 1202991135 /nfs/dbraw/zinc/99/11/35/1202991135.db2.gz RJPDOKJNBLGCQC-BONVTDFDSA-N 0 3 361.354 0.671 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844038449 1203331378 /nfs/dbraw/zinc/33/13/78/1203331378.db2.gz ZHFGLTXNTAPIAL-LLVKDONJSA-N 0 3 368.365 0.691 10 5 FCBEHN Cc1nn(CN2CCN(CCN(C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000844714499 1204429964 /nfs/dbraw/zinc/42/99/64/1204429964.db2.gz ONTHCFWWQLRMPZ-UHFFFAOYSA-N 0 3 360.418 0.916 10 5 FCBEHN CN1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001472025537 1261426406 /nfs/dbraw/zinc/42/64/06/1261426406.db2.gz DSPOSKKEZKGOGL-AWEZNQCLSA-N 0 3 362.386 0.777 10 5 FCBEHN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC(N[C@H]2CCOC2)C1 ZINC001472079781 1261431753 /nfs/dbraw/zinc/43/17/53/1261431753.db2.gz BEWHAXAENQXJPD-NSHDSACASA-N 0 3 367.427 0.882 10 5 FCBEHN O=C(NCCCN1CCN(Cc2cncc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001479919569 1263416254 /nfs/dbraw/zinc/41/62/54/1263416254.db2.gz IUGUTNJCLXCRQH-HZPDHXFCSA-N 0 3 365.409 0.510 10 5 FCBEHN CC(C)(C)NC(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001506862121 1264343920 /nfs/dbraw/zinc/34/39/20/1264343920.db2.gz JRSRAXKNDQMOCU-CHWSQXEVSA-N 0 3 352.435 0.491 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001543060893 1267521732 /nfs/dbraw/zinc/52/17/32/1267521732.db2.gz WKZMYJKGVNGNRQ-UHFFFAOYSA-N 0 3 366.422 0.112 10 5 FCBEHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198654 1269055173 /nfs/dbraw/zinc/05/51/73/1269055173.db2.gz WJGTVZWVKADCIW-LSDHHAIUSA-N 0 3 357.374 0.879 10 5 FCBEHN COC(=O)[C@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001560098939 1269186085 /nfs/dbraw/zinc/18/60/85/1269186085.db2.gz WUYDJWJBZGUUQO-INIZCTEOSA-N 0 3 367.358 0.542 10 5 FCBEHN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001634864107 1282361281 /nfs/dbraw/zinc/36/12/81/1282361281.db2.gz GVKNYYGNPMLBNT-KGLIPLIRSA-N 0 3 372.385 0.457 10 5 FCBEHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCC1 ZINC001638122073 1282662220 /nfs/dbraw/zinc/66/22/20/1282662220.db2.gz DTLAZKHFYISGPN-CYBMUJFWSA-N 0 3 365.390 0.289 10 5 FCBEHN CN(C)CCn1nccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001595483940 1286248520 /nfs/dbraw/zinc/24/85/20/1286248520.db2.gz XHZGNRFHTJYPOK-UHFFFAOYSA-N 0 3 373.417 0.710 10 5 FCBEHN Cc1cncn1CC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001704492129 1286259173 /nfs/dbraw/zinc/25/91/73/1286259173.db2.gz YYKXCWLWDUEUOQ-HUUCEWRRSA-N 0 3 363.418 0.554 10 5 FCBEHN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccn(-c2ccncc2)n1 ZINC001705261737 1286364179 /nfs/dbraw/zinc/36/41/79/1286364179.db2.gz VUDKVRSPQZBQQG-TZMCWYRMSA-N 0 3 370.369 0.311 10 5 FCBEHN Cc1cncn1CC(=O)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001721266335 1288323374 /nfs/dbraw/zinc/32/33/74/1288323374.db2.gz FCJWLPAEMMBLGH-ZIAGYGMSSA-N 0 3 351.407 0.600 10 5 FCBEHN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CCCS(C)(=O)=O)CC1 ZINC001724285933 1288435040 /nfs/dbraw/zinc/43/50/40/1288435040.db2.gz VXUGTHUDBAJSAV-CHWSQXEVSA-N 0 3 361.464 0.305 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)[C@H]1CCCOC1 ZINC001618530011 1289917821 /nfs/dbraw/zinc/91/78/21/1289917821.db2.gz UULIOGHOBHJJMZ-SMDDNHRTSA-N 0 3 353.375 0.919 10 5 FCBEHN COc1cccc2c1CC[C@]2(CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538243 1289997447 /nfs/dbraw/zinc/99/74/47/1289997447.db2.gz RXZLPSCEVANOAH-SUMWQHHRSA-N 0 3 362.386 0.584 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001620549297 1289999634 /nfs/dbraw/zinc/99/96/34/1289999634.db2.gz XOQHAOBTOPNCAE-CYBMUJFWSA-N 0 3 362.390 0.802 10 5 FCBEHN O=C(N[C@@H](CO)CN1CCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001625505584 1290346946 /nfs/dbraw/zinc/34/69/46/1290346946.db2.gz PBDPXNLCKWXRKG-CYBMUJFWSA-N 0 3 360.374 0.362 10 5 FCBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761314 1291297007 /nfs/dbraw/zinc/29/70/07/1291297007.db2.gz WEDDHYCEOSQTGQ-TZMCWYRMSA-N 0 3 352.391 0.378 10 5 FCBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1[C@H](CO)CC[C@H]1CO ZINC001654045058 1291391028 /nfs/dbraw/zinc/39/10/28/1291391028.db2.gz YNYOFENUMTZPOB-STQMWFEESA-N 0 3 351.359 0.710 10 5 FCBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001164527565 850415139 /nfs/dbraw/zinc/41/51/39/850415139.db2.gz SQJOLFXQBGUEKO-UHFFFAOYSA-N 0 3 352.366 0.888 10 5 FCBEHN C[C@@]1([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892539 853181553 /nfs/dbraw/zinc/18/15/53/853181553.db2.gz ZVTGFUXJWFYCGL-WBMJQRKESA-N 0 3 350.375 0.967 10 5 FCBEHN CN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293157575 865779550 /nfs/dbraw/zinc/77/95/50/865779550.db2.gz CNMWZWXVSRFWBC-NSHDSACASA-N 0 3 356.404 0.084 10 5 FCBEHN CN(CCO)CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001301548274 866268643 /nfs/dbraw/zinc/26/86/43/866268643.db2.gz RHSCDYPXPALMSM-UHFFFAOYSA-N 0 3 353.375 0.752 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C ZINC000292624600 214112591 /nfs/dbraw/zinc/11/25/91/214112591.db2.gz MFRNWBOQRRUZDJ-SNVBAGLBSA-N 0 3 359.404 0.857 10 5 FCBEHN CC[C@H](C)[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262154817 209534612 /nfs/dbraw/zinc/53/46/12/209534612.db2.gz SLTVRFHKEVAFAQ-GXFFZTMASA-N 0 3 358.420 0.363 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246303581 209383516 /nfs/dbraw/zinc/38/35/16/209383516.db2.gz PWTVDFXTXKQEEV-IUODEOHRSA-N 0 3 361.406 0.958 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246318734 209383311 /nfs/dbraw/zinc/38/33/11/209383311.db2.gz CWWHFLHVQGMVPZ-UWWQBHOKSA-N 0 3 365.430 0.987 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000419320355 246096972 /nfs/dbraw/zinc/09/69/72/246096972.db2.gz DOSBPFIDWQSOJF-YCPHGPKFSA-N 0 3 353.419 0.721 10 5 FCBEHN Cc1c(C(=O)N2CCO[C@H](CN(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000116790710 208333034 /nfs/dbraw/zinc/33/30/34/208333034.db2.gz QNLYOKACYXDSNP-OAHLLOKOSA-N 0 3 374.401 0.887 10 5 FCBEHN CN(C)C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000116785246 208333745 /nfs/dbraw/zinc/33/37/45/208333745.db2.gz FBAXUPBAKNMKPG-AWEZNQCLSA-N 0 3 360.374 0.578 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000326452763 488915337 /nfs/dbraw/zinc/91/53/37/488915337.db2.gz UDLUKGUJBITFEZ-SNVBAGLBSA-N 0 3 357.388 0.611 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000075969102 488400430 /nfs/dbraw/zinc/40/04/30/488400430.db2.gz QQIDPZHPRFWYSB-GDBMZVCRSA-N 0 3 353.423 0.339 10 5 FCBEHN C[C@H](O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246931836 488478277 /nfs/dbraw/zinc/47/82/77/488478277.db2.gz AUHOQGRBSOOVKO-YCPHGPKFSA-N 0 3 353.419 0.721 10 5 FCBEHN O=C1C[C@H](c2ccccc2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000247645499 488489186 /nfs/dbraw/zinc/48/91/86/488489186.db2.gz UFWSVMGCRSOVGV-HZPDHXFCSA-N 0 3 359.386 0.715 10 5 FCBEHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159136413 488783166 /nfs/dbraw/zinc/78/31/66/488783166.db2.gz GMBWKFSVBJGZTH-KRWDZBQOSA-N 0 3 373.413 0.717 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000171560571 488823983 /nfs/dbraw/zinc/82/39/83/488823983.db2.gz NFWFCJYAPDPWDV-UHFFFAOYSA-N 0 3 363.418 0.924 10 5 FCBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000181566347 488863440 /nfs/dbraw/zinc/86/34/40/488863440.db2.gz KJSLIDNQSZESBL-NSHDSACASA-N 0 3 366.399 0.755 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@](O)(CO)C1 ZINC000459643467 489743669 /nfs/dbraw/zinc/74/36/69/489743669.db2.gz IFIMJOIQUHIDAN-MRXNPFEDSA-N 0 3 353.375 0.751 10 5 FCBEHN CC1(C)NC(=O)CC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000494902874 489919021 /nfs/dbraw/zinc/91/90/21/489919021.db2.gz KIBGWNVNDDQVKX-ZDUSSCGKSA-N 0 3 370.431 0.520 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)CN2CCCCC2)cc1 ZINC000564571061 491314516 /nfs/dbraw/zinc/31/45/16/491314516.db2.gz JYKRUAIKKKGPGH-HNNXBMFYSA-N 0 3 371.459 0.805 10 5 FCBEHN C[C@@H]1CCN(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000573336710 491427341 /nfs/dbraw/zinc/42/73/41/491427341.db2.gz ZEGILEAGUVLHDQ-GFCCVEGCSA-N 0 3 370.431 0.331 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCCN2CCO)cc1 ZINC000578132143 491670548 /nfs/dbraw/zinc/67/05/48/491670548.db2.gz PLHSIIRGPZECQX-OAHLLOKOSA-N 0 3 371.459 0.805 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590442900 491776758 /nfs/dbraw/zinc/77/67/58/491776758.db2.gz HZBWCXPRYVIEKN-AGIUHOORSA-N 0 3 350.423 0.990 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000590446001 491777179 /nfs/dbraw/zinc/77/71/79/491777179.db2.gz QGXMKEKBKIMCOA-MFKMUULPSA-N 0 3 358.354 0.353 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590539364 491778430 /nfs/dbraw/zinc/77/84/30/491778430.db2.gz SDHCNJAIRJVMPO-QGZVFWFLSA-N 0 3 350.419 0.946 10 5 FCBEHN COC(=O)[C@](C)(NC(=O)C(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000600526927 491867184 /nfs/dbraw/zinc/86/71/84/491867184.db2.gz IMCBASPTEGJOHP-LKFCYVNXSA-N 0 3 358.372 0.532 10 5 FCBEHN CN(CC(=O)N1CC[C@@H](F)[C@H](N)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595260603 491908289 /nfs/dbraw/zinc/90/82/89/491908289.db2.gz FNNZRTHHPCJMDT-CHWSQXEVSA-N 0 3 374.394 0.113 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)s1 ZINC000595383210 491926231 /nfs/dbraw/zinc/92/62/31/491926231.db2.gz AWJNUVPZMJKBRU-NSHDSACASA-N 0 3 361.445 0.876 10 5 FCBEHN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000595384887 491926933 /nfs/dbraw/zinc/92/69/33/491926933.db2.gz PKWOIIWUGIOVIL-HNNXBMFYSA-N 0 3 369.443 0.956 10 5 FCBEHN CCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597945606 492074163 /nfs/dbraw/zinc/07/41/63/492074163.db2.gz JOUFDGOBDRKZTI-LLVKDONJSA-N 0 3 356.404 0.408 10 5 FCBEHN COCCN1CCC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592061 492106316 /nfs/dbraw/zinc/10/63/16/492106316.db2.gz DMLCKKROBGWFET-ZDUSSCGKSA-N 0 3 366.422 0.744 10 5 FCBEHN COC(=O)COc1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991244 492129260 /nfs/dbraw/zinc/12/92/60/492129260.db2.gz XGGCSKJASIZRNO-UKRRQHHQSA-N 0 3 354.359 0.776 10 5 FCBEHN COC(=O)COc1ccc(CNC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599004975 492130147 /nfs/dbraw/zinc/13/01/47/492130147.db2.gz XTXUIXRPAAKOHT-ZDUSSCGKSA-N 0 3 353.375 0.567 10 5 FCBEHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106556 492136089 /nfs/dbraw/zinc/13/60/89/492136089.db2.gz VKHSXAAQJZQWTA-UWVGGRQHSA-N 0 3 357.388 0.785 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000618924327 492243594 /nfs/dbraw/zinc/24/35/94/492243594.db2.gz XOVWDRBKYBEQRH-QGZVFWFLSA-N 0 3 374.401 0.704 10 5 FCBEHN CN1CCC2(CC1)CN(S(=O)(=O)c1cccnc1[N+](=O)[O-])CCO2 ZINC000592103918 546944607 /nfs/dbraw/zinc/94/46/07/546944607.db2.gz NQOJSWZUSFAZSN-UHFFFAOYSA-N 0 3 356.404 0.475 10 5 FCBEHN CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183811 546945373 /nfs/dbraw/zinc/94/53/73/546945373.db2.gz FUSYSCMQCJMRGI-JQWIXIFHSA-N 0 3 365.312 0.153 10 5 FCBEHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183804 546945444 /nfs/dbraw/zinc/94/54/44/546945444.db2.gz FUSYSCMQCJMRGI-CMPLNLGQSA-N 0 3 365.312 0.153 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000592879001 546959707 /nfs/dbraw/zinc/95/97/07/546959707.db2.gz JROBRVOGXLAGJO-LBPRGKRZSA-N 0 3 350.375 0.552 10 5 FCBEHN COc1c(C(=O)N2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593234751 546964321 /nfs/dbraw/zinc/96/43/21/546964321.db2.gz HGOXMBXNBJXDES-UHFFFAOYSA-N 0 3 350.375 0.449 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593250854 546964998 /nfs/dbraw/zinc/96/49/98/546964998.db2.gz KLIQYZLQPLRCKQ-UHFFFAOYSA-N 0 3 353.354 0.972 10 5 FCBEHN CN(C)CCN1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1=O ZINC000593486209 546968441 /nfs/dbraw/zinc/96/84/41/546968441.db2.gz PXCAAEBQGXIJSN-UHFFFAOYSA-N 0 3 372.223 0.963 10 5 FCBEHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593582317 546978904 /nfs/dbraw/zinc/97/89/04/546978904.db2.gz CFVRKDLNMUIWLL-UHFFFAOYSA-N 0 3 371.463 0.636 10 5 FCBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697350 547352448 /nfs/dbraw/zinc/35/24/48/547352448.db2.gz TZKLSEPBYAVBII-BXUZGUMPSA-N 0 3 368.415 0.907 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1=O ZINC000844762671 670941061 /nfs/dbraw/zinc/94/10/61/670941061.db2.gz YXTDYBRQNIZJAZ-UHFFFAOYSA-N 0 3 356.329 0.719 10 5 FCBEHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852414295 671506182 /nfs/dbraw/zinc/50/61/82/671506182.db2.gz MKYQNIMZYKGTCD-SMDDNHRTSA-N 0 3 355.322 0.983 10 5 FCBEHN O=C(NC1(CNCc2cn(CC3CC3)nn2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267837991 1183101119 /nfs/dbraw/zinc/10/11/19/1183101119.db2.gz PHTNQVMAIVTNHR-HUUCEWRRSA-N 0 3 362.434 0.872 10 5 FCBEHN COc1ccc(NC(=O)[C@H](C)N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027921 1196847219 /nfs/dbraw/zinc/84/72/19/1196847219.db2.gz VMHLMCQGKGXCRM-RWMBFGLXSA-N 0 3 364.402 0.681 10 5 FCBEHN NC(=O)c1ccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)c([N+](=O)[O-])c1 ZINC001176727745 1206319474 /nfs/dbraw/zinc/31/94/74/1206319474.db2.gz KSCDILRGXUEREX-CYBMUJFWSA-N 0 3 362.386 0.157 10 5 FCBEHN O=C1NCC2(CCOCC2)[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198146726 1208223926 /nfs/dbraw/zinc/22/39/26/1208223926.db2.gz GOTMNWPXJIZAQC-SWLSCSKDSA-N 0 3 365.386 0.219 10 5 FCBEHN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOC2(CNC2)C1 ZINC000853246249 1209587257 /nfs/dbraw/zinc/58/72/57/1209587257.db2.gz VGVQICOXTKDFBE-UHFFFAOYSA-N 0 3 362.386 0.246 10 5 FCBEHN CCN1CC[C@H]2OCCN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2C1 ZINC000840087455 1222770216 /nfs/dbraw/zinc/77/02/16/1222770216.db2.gz SOEDGVGZVAVQOQ-JKSUJKDBSA-N 0 3 374.397 0.943 10 5 FCBEHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)N1CCNCC1 ZINC000843346770 1222871197 /nfs/dbraw/zinc/87/11/97/1222871197.db2.gz ODDWHMFCQQHPSA-UHFFFAOYSA-N 0 3 367.381 0.426 10 5 FCBEHN CC(C)(C)CNC(=O)CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001483968178 1263452005 /nfs/dbraw/zinc/45/20/05/1263452005.db2.gz XXXNVRPICBOCBS-CHWSQXEVSA-N 0 3 354.451 0.785 10 5 FCBEHN CCN(C(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC001495974631 1263846024 /nfs/dbraw/zinc/84/60/24/1263846024.db2.gz RDAAMYCBGZEWGC-HUUCEWRRSA-N 0 3 364.446 0.587 10 5 FCBEHN Cc1ccc(NC(=O)CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001321057578 1263901284 /nfs/dbraw/zinc/90/12/84/1263901284.db2.gz QCZOWAOGGBDKKZ-QADGWQRPSA-N 0 3 364.377 1.000 10 5 FCBEHN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccn(-c2ccncc2)n1 ZINC001533490557 1267220070 /nfs/dbraw/zinc/22/00/70/1267220070.db2.gz AGKVTEMOLFMTSJ-FDQNRYPESA-N 0 3 370.369 0.335 10 5 FCBEHN CN1CC[C@](O)(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC001567317511 1269688070 /nfs/dbraw/zinc/68/80/70/1269688070.db2.gz OYYHSYLIOXOTIL-KRWDZBQOSA-N 0 3 359.386 0.636 10 5 FCBEHN COc1coc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1=O ZINC001570197157 1269846863 /nfs/dbraw/zinc/84/68/63/1269846863.db2.gz XZKYDMUKFDMOLO-CHWSQXEVSA-N 0 3 353.375 0.594 10 5 FCBEHN Cc1nccn1CC(=O)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001572507674 1270084423 /nfs/dbraw/zinc/08/44/23/1270084423.db2.gz JPHNPDNREUNOEF-ZIAGYGMSSA-N 0 3 351.407 0.552 10 5 FCBEHN CCn1nc(C)c(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001714133663 1287314556 /nfs/dbraw/zinc/31/45/56/1287314556.db2.gz QALXSZGQTTVBKR-TZMCWYRMSA-N 0 3 350.423 0.790 10 5 FCBEHN CN1CC[C@](O)(CNC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC001632382077 1282171176 /nfs/dbraw/zinc/17/11/76/1282171176.db2.gz GYIXAYKDFVUMPW-ZDUSSCGKSA-N 0 3 373.207 0.736 10 5 FCBEHN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)C1 ZINC001633493622 1282247815 /nfs/dbraw/zinc/24/78/15/1282247815.db2.gz MUBHAYNDNWEAQT-GFCCVEGCSA-N 0 3 368.415 0.180 10 5 FCBEHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001635942270 1282443778 /nfs/dbraw/zinc/44/37/78/1282443778.db2.gz ROMKHFKTPBXFPU-GFCCVEGCSA-N 0 3 358.358 0.378 10 5 FCBEHN O=C(NCC(=O)N1CC(N[C@H]2CCOC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC001597700384 1286357370 /nfs/dbraw/zinc/35/73/70/1286357370.db2.gz JDZBAGLRIDFJHA-LBPRGKRZSA-N 0 3 363.374 0.306 10 5 FCBEHN Cc1nccn1CC(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001738208454 1289644165 /nfs/dbraw/zinc/64/41/65/1289644165.db2.gz QMIMFZNKOOTTMZ-HUUCEWRRSA-N 0 3 363.418 0.602 10 5 FCBEHN Cc1nn(CCC(=O)N(CCO)C2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC001627873339 1290489709 /nfs/dbraw/zinc/48/97/09/1290489709.db2.gz BYZYTKVLCXCCBL-UHFFFAOYSA-N 0 3 353.423 0.713 10 5 FCBEHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC(N[C@H]2CCOC2)C1 ZINC001652687497 1291290522 /nfs/dbraw/zinc/29/05/22/1291290522.db2.gz YKHUBZPCGNFBMN-ZDUSSCGKSA-N 0 3 362.386 0.304 10 5 FCBEHN CN1CCCC[C@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001685621187 1292575186 /nfs/dbraw/zinc/57/51/86/1292575186.db2.gz GBDNJPUZUDPFHW-ARFHVFGLSA-N 0 3 366.418 0.773 10 5 FCBEHN CCCn1c(C)nnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001273077641 860367310 /nfs/dbraw/zinc/36/73/10/860367310.db2.gz PQHSRCQRWDEQJH-CHWSQXEVSA-N 0 3 350.423 0.790 10 5 FCBEHN Cc1cc(CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC001280386691 863421570 /nfs/dbraw/zinc/42/15/70/863421570.db2.gz KYJZGASQZLNPEH-CHWSQXEVSA-N 0 3 351.407 0.527 10 5 FCBEHN CCN1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001299017414 866142757 /nfs/dbraw/zinc/14/27/57/866142757.db2.gz JECWSBLXIHVLEO-NSHDSACASA-N 0 3 370.431 0.799 10 5 FCBEHN CCOC(=O)C1(COC)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000373803858 217062116 /nfs/dbraw/zinc/06/21/16/217062116.db2.gz FQVWHESGTCFCHM-AWEZNQCLSA-N 0 3 370.406 0.444 10 5 FCBEHN Cc1nn(CCC(=O)NC[C@H]2CCCCN2CCO)c(C)c1[N+](=O)[O-] ZINC000452397045 249316253 /nfs/dbraw/zinc/31/62/53/249316253.db2.gz ZBSAPGNHZHCTKF-CQSZACIVSA-N 0 3 353.423 0.761 10 5 FCBEHN COC(=O)c1cc(C(=O)NC[C@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000269637587 211029151 /nfs/dbraw/zinc/02/91/51/211029151.db2.gz XGKMUTSLKASYTK-HNNXBMFYSA-N 0 3 365.386 0.958 10 5 FCBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000248442151 488495950 /nfs/dbraw/zinc/49/59/50/488495950.db2.gz DXPOITMGIXOWJT-CABCVRRESA-N 0 3 351.403 0.741 10 5 FCBEHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000248447315 488496767 /nfs/dbraw/zinc/49/67/67/488496767.db2.gz HETKUMLNXTWKSH-HLLBOEOZSA-N 0 3 365.430 0.987 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000270606562 488517080 /nfs/dbraw/zinc/51/70/80/488517080.db2.gz HPPRLSOAYKSPCY-SNVBAGLBSA-N 0 3 351.363 0.675 10 5 FCBEHN CN(CCO)C1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272180935 488566578 /nfs/dbraw/zinc/56/65/78/488566578.db2.gz IVYJYWBLQHIKPO-UHFFFAOYSA-N 0 3 363.461 0.953 10 5 FCBEHN CN(C)CCn1cc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000126079869 488606385 /nfs/dbraw/zinc/60/63/85/488606385.db2.gz UIMLOGRHVSAMRJ-UHFFFAOYSA-N 0 3 360.374 0.608 10 5 FCBEHN CC(C)C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCCN(C)C ZINC000128019438 488621596 /nfs/dbraw/zinc/62/15/96/488621596.db2.gz YLLIIGUUNQQMTF-LBPRGKRZSA-N 0 3 354.411 0.000 10 5 FCBEHN CN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000138569154 488682191 /nfs/dbraw/zinc/68/21/91/488682191.db2.gz GJQWIQJTOOBISR-LBPRGKRZSA-N 0 3 370.431 0.474 10 5 FCBEHN CN(C)C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000162970762 488806175 /nfs/dbraw/zinc/80/61/75/488806175.db2.gz PQNHQHYWGAMLEC-AWEZNQCLSA-N 0 3 357.432 0.730 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000426456153 489568253 /nfs/dbraw/zinc/56/82/53/489568253.db2.gz FDROEWPKHZOIMS-ZDUSSCGKSA-N 0 3 366.418 0.930 10 5 FCBEHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000427165196 489597079 /nfs/dbraw/zinc/59/70/79/489597079.db2.gz QKPUBKQTWUNUKW-CQSZACIVSA-N 0 3 351.407 0.895 10 5 FCBEHN O=C(N[C@H]1CNCCC1(F)F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418752301 489721851 /nfs/dbraw/zinc/72/18/51/489721851.db2.gz SYIOXAFRCLBQIG-LBPRGKRZSA-N 0 3 370.360 0.819 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423036822 490526253 /nfs/dbraw/zinc/52/62/53/490526253.db2.gz LQZXYXPBXGVIAF-HZPDHXFCSA-N 0 3 369.443 0.725 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000513432464 490728452 /nfs/dbraw/zinc/72/84/52/490728452.db2.gz AAGMDPMNQMEWLE-OAHLLOKOSA-N 0 3 363.418 0.971 10 5 FCBEHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958105 490732565 /nfs/dbraw/zinc/73/25/65/490732565.db2.gz VLTLGWDMZFOHDR-MEDUHNTESA-N 0 3 368.390 0.221 10 5 FCBEHN COCCN1CCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000542764177 490907350 /nfs/dbraw/zinc/90/73/50/490907350.db2.gz NXDVWCASDOMDIX-NSHDSACASA-N 0 3 358.420 0.765 10 5 FCBEHN COCCN1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000542764176 490907660 /nfs/dbraw/zinc/90/76/60/490907660.db2.gz NXDVWCASDOMDIX-LLVKDONJSA-N 0 3 358.420 0.765 10 5 FCBEHN CS(=O)(=O)c1cc(C(=O)N[C@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000572521408 491376057 /nfs/dbraw/zinc/37/60/57/491376057.db2.gz HTGCTCIOHNOFOK-NSHDSACASA-N 0 3 363.342 0.725 10 5 FCBEHN CN1C[C@@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442286 491776876 /nfs/dbraw/zinc/77/68/76/491776876.db2.gz FGBZVYVTFVYJQS-WCQYABFASA-N 0 3 364.427 0.948 10 5 FCBEHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594918733 491871998 /nfs/dbraw/zinc/87/19/98/491871998.db2.gz RUNABPCGLOPLSL-DDTOSNHZSA-N 0 3 371.415 0.660 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000595384993 491926579 /nfs/dbraw/zinc/92/65/79/491926579.db2.gz QVQPYDAPMGFKAS-CQSZACIVSA-N 0 3 355.416 0.815 10 5 FCBEHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000595892949 491959275 /nfs/dbraw/zinc/95/92/75/491959275.db2.gz SLQFJBYKQKVIDP-GFCCVEGCSA-N 0 3 366.443 0.935 10 5 FCBEHN CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000597947590 492074557 /nfs/dbraw/zinc/07/45/57/492074557.db2.gz ZKRFPOIWUJAYSZ-OAHLLOKOSA-N 0 3 363.418 0.947 10 5 FCBEHN CN(C)S(=O)(=O)N1CC(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090564 492134402 /nfs/dbraw/zinc/13/44/02/492134402.db2.gz NFQTUTNVFYPGGF-QWHCGFSZSA-N 0 3 372.451 0.355 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)n1 ZINC000617407223 492166578 /nfs/dbraw/zinc/16/65/78/492166578.db2.gz HUAOSVLRTXATBV-CYBMUJFWSA-N 0 3 350.423 0.663 10 5 FCBEHN CC1(N2CCOCC2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599622527 492194660 /nfs/dbraw/zinc/19/46/60/492194660.db2.gz LEEMHHYETZOCEC-HNNXBMFYSA-N 0 3 353.423 0.339 10 5 FCBEHN NCC1(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000599897571 492215551 /nfs/dbraw/zinc/21/55/51/492215551.db2.gz IQZREVBNYJORFF-UHFFFAOYSA-N 0 3 356.766 0.811 10 5 FCBEHN O=C([C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369549 492243633 /nfs/dbraw/zinc/24/36/33/492243633.db2.gz SXQYLHQLIMQXSV-HIFRSBDPSA-N 0 3 351.407 0.487 10 5 FCBEHN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416498165 546915910 /nfs/dbraw/zinc/91/59/10/546915910.db2.gz WTHODUHHBRAYJK-SNVBAGLBSA-N 0 3 357.388 0.611 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592877897 546959976 /nfs/dbraw/zinc/95/99/76/546959976.db2.gz APZYEQLQCZGMQR-LLVKDONJSA-N 0 3 350.375 0.795 10 5 FCBEHN CN(C)CCN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844568687 670929792 /nfs/dbraw/zinc/92/97/92/670929792.db2.gz CFDICPPCXWKDIX-UHFFFAOYSA-N 0 3 351.432 0.997 10 5 FCBEHN Cc1cc(OCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000592872137 1196585388 /nfs/dbraw/zinc/58/53/88/1196585388.db2.gz JQXVAZAXTNJNRW-CYBMUJFWSA-N 0 3 364.402 0.860 10 5 FCBEHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CCN(C)C)C(=O)C1 ZINC000593052607 1196605979 /nfs/dbraw/zinc/60/59/79/1196605979.db2.gz QZOCLXFOAJDBSB-ZDUSSCGKSA-N 0 3 363.418 0.628 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000592880958 1196740007 /nfs/dbraw/zinc/74/00/07/1196740007.db2.gz QKUZJYQMAMBIOJ-ZDUSSCGKSA-N 0 3 364.402 0.942 10 5 FCBEHN CN(C)CCN1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1=O ZINC000593235328 1196765830 /nfs/dbraw/zinc/76/58/30/1196765830.db2.gz NJYONCKHJQCAEN-UHFFFAOYSA-N 0 3 370.356 0.648 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008414 1206370688 /nfs/dbraw/zinc/37/06/88/1206370688.db2.gz KGALCNPVONUJQE-YPMHNXCESA-N 0 3 366.422 0.417 10 5 FCBEHN Cc1cnc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001490465855 1209354894 /nfs/dbraw/zinc/35/48/94/1209354894.db2.gz CTLUBADDUOTRTK-ZIAGYGMSSA-N 0 3 351.407 0.272 10 5 FCBEHN COc1cccc(NC(=O)CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001277055938 1225815739 /nfs/dbraw/zinc/81/57/39/1225815739.db2.gz YCIPVWNXKVIFOP-ZIAGYGMSSA-N 0 3 362.386 0.537 10 5 FCBEHN O=Cc1ccc(OCC(=O)NC[C@H]2CCCCN2CCO)c([N+](=O)[O-])c1 ZINC001324523129 1264663917 /nfs/dbraw/zinc/66/39/17/1264663917.db2.gz BMRDOCKJUZMZBG-CQSZACIVSA-N 0 3 365.386 0.749 10 5 FCBEHN CC(C)N1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001542792701 1267506618 /nfs/dbraw/zinc/50/66/18/1267506618.db2.gz GHCJKKVLBJSANE-UHFFFAOYSA-N 0 3 370.431 0.799 10 5 FCBEHN CN(C)S(=O)(=O)c1ccc(N(C)CCN(C)CCO)c([N+](=O)[O-])c1 ZINC001559236550 1269164564 /nfs/dbraw/zinc/16/45/64/1269164564.db2.gz LXYBRXGCWGFJCH-UHFFFAOYSA-N 0 3 360.436 0.205 10 5 FCBEHN CNC(=O)C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001560147925 1269191980 /nfs/dbraw/zinc/19/19/80/1269191980.db2.gz FAVDZAHYZCZFAL-GFCCVEGCSA-N 0 3 353.375 0.219 10 5 FCBEHN Cc1cc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001713067912 1287261734 /nfs/dbraw/zinc/26/17/34/1287261734.db2.gz CAKYGDQIZDXLEF-HUUCEWRRSA-N 0 3 351.407 0.272 10 5 FCBEHN Cc1nc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC001713068288 1287262101 /nfs/dbraw/zinc/26/21/01/1287262101.db2.gz QOIIBBUMKXKGEK-GDBMZVCRSA-N 0 3 365.434 0.581 10 5 FCBEHN Cc1noc(C)c1CN1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713797678 1287297805 /nfs/dbraw/zinc/29/78/05/1287297805.db2.gz FWOMMVVDCZLAIW-GDBMZVCRSA-N 0 3 365.434 0.581 10 5 FCBEHN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCC2)C1 ZINC001633493689 1282247793 /nfs/dbraw/zinc/24/77/93/1282247793.db2.gz MUBHAYNDNWEAQT-LBPRGKRZSA-N 0 3 368.415 0.180 10 5 FCBEHN CN1CCC(N(CCO)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001640276185 1282849293 /nfs/dbraw/zinc/84/92/93/1282849293.db2.gz MJFGVUVURUSWHL-UHFFFAOYSA-N 0 3 364.402 0.240 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N(C)C1CCCCC1 ZINC001707377084 1287132405 /nfs/dbraw/zinc/13/24/05/1287132405.db2.gz OTMJUIHGUXQQAZ-HUUCEWRRSA-N 0 3 354.451 0.881 10 5 FCBEHN O=C(NCC1(NCc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001723515316 1288424867 /nfs/dbraw/zinc/42/48/67/1288424867.db2.gz ROKGLWVIYMMLIW-GHMZBOCLSA-N 0 3 363.399 0.160 10 5 FCBEHN Cc1nccn1CCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001701412797 1289652270 /nfs/dbraw/zinc/65/22/70/1289652270.db2.gz GXZIANSBZGPZNE-KBUPBQIOSA-N 0 3 363.418 0.648 10 5 FCBEHN CC(C)N1CCN(CCCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 ZINC001613452146 1289716854 /nfs/dbraw/zinc/71/68/54/1289716854.db2.gz JGZOGBWJLKYZTB-UHFFFAOYSA-N 0 3 351.407 0.272 10 5 FCBEHN NS(=O)(=O)c1cccc(N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001651494968 1291224466 /nfs/dbraw/zinc/22/44/66/1291224466.db2.gz HJVZEVACPZSGAT-NWDGAFQWSA-N 0 3 370.431 0.278 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001134086128 849173575 /nfs/dbraw/zinc/17/35/75/849173575.db2.gz YWYXHOTYWZFZPJ-CQSZACIVSA-N 0 3 351.407 0.859 10 5 FCBEHN O=C(c1[n-]nc([N+](=O)[O-])c1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001295498876 865900424 /nfs/dbraw/zinc/90/04/24/865900424.db2.gz YNBDNBXQKZZSSM-UHFFFAOYSA-N 0 3 373.797 0.271 10 5 FCBEHN CS(=O)(=O)N1CC[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000366998836 216061016 /nfs/dbraw/zinc/06/10/16/216061016.db2.gz YGMCRPWBYZCTMM-LBPRGKRZSA-N 0 3 357.436 0.710 10 5 FCBEHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246273059 209383050 /nfs/dbraw/zinc/38/30/50/209383050.db2.gz MOVBOLOXBMCUJU-DLBZAZTESA-N 0 3 362.430 0.867 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCOC[C@H]2C1 ZINC000368821222 216299546 /nfs/dbraw/zinc/29/95/46/216299546.db2.gz AZXGPMGCVLGLKM-CQSZACIVSA-N 0 3 364.402 0.948 10 5 FCBEHN O=Cc1ccc(OCC(=O)NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000269600581 211020472 /nfs/dbraw/zinc/02/04/72/211020472.db2.gz OQIWBGULRJOBSM-AWEZNQCLSA-N 0 3 365.386 0.749 10 5 FCBEHN O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCOCC1 ZINC000179313460 209075545 /nfs/dbraw/zinc/07/55/45/209075545.db2.gz KFUIXBSFRGILNG-AWEZNQCLSA-N 0 3 364.402 0.327 10 5 FCBEHN O=C1NC(=O)[C@@]2(CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003655 488910070 /nfs/dbraw/zinc/91/00/70/488910070.db2.gz DCNFRXCARYJBHW-BZNIZROVSA-N 0 3 364.358 0.009 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000248447314 488496996 /nfs/dbraw/zinc/49/69/96/488496996.db2.gz HETKUMLNXTWKSH-BFYDXBDKSA-N 0 3 365.430 0.987 10 5 FCBEHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOCC1 ZINC000261927031 488542355 /nfs/dbraw/zinc/54/23/55/488542355.db2.gz VUZPUXNPCPEHFK-UHFFFAOYSA-N 0 3 368.415 0.449 10 5 FCBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1CN1CCOCC1 ZINC000159856377 488787876 /nfs/dbraw/zinc/78/78/76/488787876.db2.gz LWAXZVKKMNDNRW-HNNXBMFYSA-N 0 3 350.419 0.943 10 5 FCBEHN O=C(NC[C@H](O)CN1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000160325810 488790182 /nfs/dbraw/zinc/79/01/82/488790182.db2.gz DFKWTJKLTUEXEE-HNNXBMFYSA-N 0 3 374.401 0.752 10 5 FCBEHN Cc1nn(CCC(=O)NC[C@H](O)CN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000160510544 488792202 /nfs/dbraw/zinc/79/22/02/488792202.db2.gz AYZKUDUDYRBECK-AWEZNQCLSA-N 0 3 353.423 0.761 10 5 FCBEHN Cc1nn(CCC(=O)N2CCN(CCN(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000171099387 488819575 /nfs/dbraw/zinc/81/95/75/488819575.db2.gz NSGZBTCFQVMPSZ-UHFFFAOYSA-N 0 3 352.439 0.504 10 5 FCBEHN O=C1C[C@H](c2ccccc2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000173612491 488844177 /nfs/dbraw/zinc/84/41/77/488844177.db2.gz UFWSVMGCRSOVGV-JKSUJKDBSA-N 0 3 359.386 0.715 10 5 FCBEHN O=C(CCN1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365527714 489084285 /nfs/dbraw/zinc/08/42/85/489084285.db2.gz IJUIHYUSUCGKCV-INIZCTEOSA-N 0 3 361.358 0.597 10 5 FCBEHN CN1CCC[C@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299238139 489422633 /nfs/dbraw/zinc/42/26/33/489422633.db2.gz AOIVMBGNRJIJIV-NSHDSACASA-N 0 3 352.416 0.996 10 5 FCBEHN COc1ccc(NC(=O)CCN2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459639701 489743987 /nfs/dbraw/zinc/74/39/87/489743987.db2.gz DKIOBDRQHSGQHK-MRXNPFEDSA-N 0 3 353.375 0.751 10 5 FCBEHN O=C(NCCNc1ccncc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000533815913 490286193 /nfs/dbraw/zinc/28/61/93/490286193.db2.gz QJNUNVAUFVFZBR-UHFFFAOYSA-N 0 3 353.342 0.834 10 5 FCBEHN COc1cnccc1N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000483219598 490293861 /nfs/dbraw/zinc/29/38/61/490293861.db2.gz LLGXOYHQGSLTNG-UHFFFAOYSA-N 0 3 359.386 0.982 10 5 FCBEHN COc1cnccc1N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000483225825 490295600 /nfs/dbraw/zinc/29/56/00/490295600.db2.gz HVLCXFAKVMCOMH-CQSZACIVSA-N 0 3 362.390 0.378 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000542912855 490915598 /nfs/dbraw/zinc/91/55/98/490915598.db2.gz WTFCNGXITXBBBC-CQSZACIVSA-N 0 3 360.374 0.069 10 5 FCBEHN COc1ccc(NC(=O)C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000543929759 490951950 /nfs/dbraw/zinc/95/19/50/490951950.db2.gz WYIWMKVYDPUWTO-UHFFFAOYSA-N 0 3 359.342 0.587 10 5 FCBEHN CN(C)C(=O)CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000531618315 490967385 /nfs/dbraw/zinc/96/73/85/490967385.db2.gz RSMVERQSKAMJCR-UHFFFAOYSA-N 0 3 374.401 0.707 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590442698 491776777 /nfs/dbraw/zinc/77/67/77/491776777.db2.gz ADZXFORLQOPHFK-HIFRSBDPSA-N 0 3 361.402 0.557 10 5 FCBEHN NC(=O)c1ccc(SCC(=O)N[C@@H]2CNCCC2(F)F)c([N+](=O)[O-])c1 ZINC000582607027 491819740 /nfs/dbraw/zinc/81/97/40/491819740.db2.gz LIFNFSUGYGQMRI-LLVKDONJSA-N 0 3 374.369 0.899 10 5 FCBEHN N[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1F ZINC000595119945 491885377 /nfs/dbraw/zinc/88/53/77/491885377.db2.gz BQZBGCOSRQOJPR-RKDXNWHRSA-N 0 3 361.351 0.426 10 5 FCBEHN NCC12CC(C1)CN2C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595276484 491911231 /nfs/dbraw/zinc/91/12/31/491911231.db2.gz NIHAIZAGCHLLFO-UHFFFAOYSA-N 0 3 366.805 0.857 10 5 FCBEHN CN1CCN([C@H]2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000613078607 491965102 /nfs/dbraw/zinc/96/51/02/491965102.db2.gz VZKSGHOGHVDMDL-OKILXGFUSA-N 0 3 350.423 0.466 10 5 FCBEHN CN1CCN([C@H]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000613078483 491965304 /nfs/dbraw/zinc/96/53/04/491965304.db2.gz QDZLTPGTNNBZEM-GASCZTMLSA-N 0 3 364.450 0.856 10 5 FCBEHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597990294 492076828 /nfs/dbraw/zinc/07/68/28/492076828.db2.gz KYWJPEFSLHBOBE-MRXNPFEDSA-N 0 3 359.386 0.674 10 5 FCBEHN COC(=O)c1ccnc(N2CCC(N3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598633298 492110476 /nfs/dbraw/zinc/11/04/76/492110476.db2.gz GTOBEYVKTRUIKI-GFCCVEGCSA-N 0 3 350.375 0.812 10 5 FCBEHN CN(C)S(=O)(=O)N1CC(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090562 492134631 /nfs/dbraw/zinc/13/46/31/492134631.db2.gz NFQTUTNVFYPGGF-CHWSQXEVSA-N 0 3 372.451 0.355 10 5 FCBEHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106555 492136074 /nfs/dbraw/zinc/13/60/74/492136074.db2.gz VKHSXAAQJZQWTA-NXEZZACHSA-N 0 3 357.388 0.785 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000599266809 492151575 /nfs/dbraw/zinc/15/15/75/492151575.db2.gz MIVIEVBCWROCCK-YPMHNXCESA-N 0 3 369.447 0.966 10 5 FCBEHN CC[C@H](Cn1cncn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000550938190 546533052 /nfs/dbraw/zinc/53/30/52/546533052.db2.gz RKKJGMHZRJCILY-GFCCVEGCSA-N 0 3 368.419 0.533 10 5 FCBEHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000591756732 546940143 /nfs/dbraw/zinc/94/01/43/546940143.db2.gz VSFVSJMQKWOCJX-GFCCVEGCSA-N 0 3 350.331 0.550 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000592882877 546960364 /nfs/dbraw/zinc/96/03/64/546960364.db2.gz ZTLGXSHYSNHNLD-SECBINFHSA-N 0 3 353.354 0.508 10 5 FCBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593486349 546968800 /nfs/dbraw/zinc/96/88/00/546968800.db2.gz SYJMFUBPBINSAK-UHFFFAOYSA-N 0 3 350.375 0.592 10 5 FCBEHN NC[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451066 546998562 /nfs/dbraw/zinc/99/85/62/546998562.db2.gz GAWMBFYEVZLQRM-SNVBAGLBSA-N 0 3 362.264 0.326 10 5 FCBEHN CC(C)Oc1nc(N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000594586183 547001228 /nfs/dbraw/zinc/00/12/28/547001228.db2.gz LZJVKBJLEKELSZ-UHFFFAOYSA-N 0 3 351.407 0.987 10 5 FCBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697324 547352467 /nfs/dbraw/zinc/35/24/67/547352467.db2.gz TZKLSEPBYAVBII-RISCZKNCSA-N 0 3 368.415 0.907 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000844033914 670884858 /nfs/dbraw/zinc/88/48/58/670884858.db2.gz GMALRURAULMCLR-SECBINFHSA-N 0 3 353.354 0.508 10 5 FCBEHN CN1CCN(C2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)CC1 ZINC001648957336 1188343642 /nfs/dbraw/zinc/34/36/42/1188343642.db2.gz TZHDEIOCAHKAIG-UHFFFAOYSA-N 0 3 356.814 0.823 10 5 FCBEHN COc1ccc(CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592873635 1196585733 /nfs/dbraw/zinc/58/57/33/1196585733.db2.gz POCSBTIGDDFWIS-LBPRGKRZSA-N 0 3 364.402 0.724 10 5 FCBEHN Cn1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594393784 1196718655 /nfs/dbraw/zinc/71/86/55/1196718655.db2.gz PRYHKPNOPGLXKE-LSDHHAIUSA-N 0 3 371.397 0.886 10 5 FCBEHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594391695 1196719555 /nfs/dbraw/zinc/71/95/55/1196719555.db2.gz BYWOXEZJGYPSMG-YNEHKIRRSA-N 0 3 366.422 0.105 10 5 FCBEHN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594387566 1196719658 /nfs/dbraw/zinc/71/96/58/1196719658.db2.gz UKAZGTMQFRWPFV-UONOGXRCSA-N 0 3 357.370 0.672 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593129495 1196753044 /nfs/dbraw/zinc/75/30/44/1196753044.db2.gz WTXZXGDHFKPHOY-UHFFFAOYSA-N 0 3 365.390 0.841 10 5 FCBEHN CN(C)CCN1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000593234743 1196765033 /nfs/dbraw/zinc/76/50/33/1196765033.db2.gz NPJGOKVVMZLCED-UHFFFAOYSA-N 0 3 363.418 0.263 10 5 FCBEHN COc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc([N+](=O)[O-])c1C ZINC000593235440 1196765907 /nfs/dbraw/zinc/76/59/07/1196765907.db2.gz QBLKRMNKRMWRFD-UHFFFAOYSA-N 0 3 364.402 0.758 10 5 FCBEHN C[C@H]1[C@H](CO)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809654 1199094585 /nfs/dbraw/zinc/09/45/85/1199094585.db2.gz BMMCGSACTYKNLO-GJZGRUSLSA-N 0 3 362.430 0.946 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000844042949 1203331266 /nfs/dbraw/zinc/33/12/66/1203331266.db2.gz YEZFWDXAIFBQLE-JTQLQIEISA-N 0 3 365.346 0.695 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844038450 1203331344 /nfs/dbraw/zinc/33/13/44/1203331344.db2.gz ZHFGLTXNTAPIAL-NSHDSACASA-N 0 3 368.365 0.691 10 5 FCBEHN COC(=O)Cc1ccc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845630200 1204542219 /nfs/dbraw/zinc/54/22/19/1204542219.db2.gz NWJUCUBOKXVDKM-UHFFFAOYSA-N 0 3 364.402 0.521 10 5 FCBEHN CN(C)CCN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1=O ZINC000845630737 1204542234 /nfs/dbraw/zinc/54/22/34/1204542234.db2.gz LOMJLIYSSWEFSI-UHFFFAOYSA-N 0 3 361.402 0.690 10 5 FCBEHN Cc1nccn1CC(=O)N(C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001488454611 1208526202 /nfs/dbraw/zinc/52/62/02/1208526202.db2.gz WVMSHNKPTVYUEA-ZIAGYGMSSA-N 0 3 351.407 0.552 10 5 FCBEHN O=C(CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])NCCN1CCCCC1 ZINC001140743499 1222611409 /nfs/dbraw/zinc/61/14/09/1222611409.db2.gz OBSZGLINOJDFFB-UHFFFAOYSA-N 0 3 366.393 0.995 10 5 FCBEHN CN(C)CCN1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1=O ZINC000911476093 1245496463 /nfs/dbraw/zinc/49/64/63/1245496463.db2.gz MMTSDBAVNZLWJD-NSHDSACASA-N 0 3 370.356 0.899 10 5 FCBEHN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC(N[C@@H]2CCOC2)C1 ZINC001472079780 1261431343 /nfs/dbraw/zinc/43/13/43/1261431343.db2.gz BEWHAXAENQXJPD-LLVKDONJSA-N 0 3 367.427 0.882 10 5 FCBEHN O=C(NC1(CNCc2nnnn2C2CC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001282606976 1261548593 /nfs/dbraw/zinc/54/85/93/1261548593.db2.gz HHDOLUCLPZFXED-CHWSQXEVSA-N 0 3 363.422 0.582 10 5 FCBEHN Cc1cc(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)n[nH]1 ZINC001286040938 1261907202 /nfs/dbraw/zinc/90/72/02/1261907202.db2.gz REHSURTUPNIQEB-ZIAGYGMSSA-N 0 3 363.418 0.861 10 5 FCBEHN Cc1cc(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)[nH]n1 ZINC001286040938 1261907208 /nfs/dbraw/zinc/90/72/08/1261907208.db2.gz REHSURTUPNIQEB-ZIAGYGMSSA-N 0 3 363.418 0.861 10 5 FCBEHN O=C(CCc1nnc[nH]1)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512539019 1264629963 /nfs/dbraw/zinc/62/99/63/1264629963.db2.gz NGNUTVWZVBBVAS-CHWSQXEVSA-N 0 3 362.390 0.068 10 5 FCBEHN COCCN(C(=O)c1ccn[nH]1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001536187962 1267320285 /nfs/dbraw/zinc/32/02/85/1267320285.db2.gz MWEQFWVQBRQFIS-TZMCWYRMSA-N 0 3 365.390 0.155 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)n1 ZINC001545794079 1267622769 /nfs/dbraw/zinc/62/27/69/1267622769.db2.gz UGVLFCPUPHDJIU-ZIAGYGMSSA-N 0 3 364.450 0.909 10 5 FCBEHN Cc1cncn1CC(=O)N(C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001338730508 1268065726 /nfs/dbraw/zinc/06/57/26/1268065726.db2.gz LAFIIVCTIGGJGE-ZIAGYGMSSA-N 0 3 351.407 0.552 10 5 FCBEHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001559851170 1269178887 /nfs/dbraw/zinc/17/88/87/1269178887.db2.gz BYJBXIUXBXYJDK-GZBFAFLISA-N 0 3 359.386 0.433 10 5 FCBEHN O=C(NCCN1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001566649403 1269654308 /nfs/dbraw/zinc/65/43/08/1269654308.db2.gz SFPVUKGJMLBCSW-HZPDHXFCSA-N 0 3 350.394 0.725 10 5 FCBEHN Cc1csc(NC(=O)CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001568847943 1269750620 /nfs/dbraw/zinc/75/06/20/1269750620.db2.gz BXCMWRXLHDCECD-LVUHIJSRSA-N 0 3 353.404 0.317 10 5 FCBEHN Cc1nonc1CNCCCOC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001570785755 1269914399 /nfs/dbraw/zinc/91/43/99/1269914399.db2.gz QHCMCPSVLNQUSD-UKRRQHHQSA-N 0 3 367.406 0.531 10 5 FCBEHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001631724715 1282107152 /nfs/dbraw/zinc/10/71/52/1282107152.db2.gz NLYOJWKEZFWRNX-UHFFFAOYSA-N 0 3 369.422 0.832 10 5 FCBEHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001631900150 1282132908 /nfs/dbraw/zinc/13/29/08/1282132908.db2.gz OODFMSUMFFOIOP-CYBMUJFWSA-N 0 3 364.406 0.040 10 5 FCBEHN CCOC(=O)c1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001635934894 1282442263 /nfs/dbraw/zinc/44/22/63/1282442263.db2.gz GTPPNWDDKHYYCA-ZDUSSCGKSA-N 0 3 363.370 0.974 10 5 FCBEHN O=C(CNC(=O)COc1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC001640691166 1282890910 /nfs/dbraw/zinc/89/09/10/1282890910.db2.gz JQKHLSOMXQTWME-UHFFFAOYSA-N 0 3 364.402 0.692 10 5 FCBEHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001596544784 1286306743 /nfs/dbraw/zinc/30/67/43/1286306743.db2.gz WJSSKDXHAUNFAQ-UHFFFAOYSA-N 0 3 364.406 0.124 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC001618658738 1289926586 /nfs/dbraw/zinc/92/65/86/1289926586.db2.gz RYVNAISFQBDPFC-KRWDZBQOSA-N 0 3 359.386 0.695 10 5 FCBEHN O=C(N[C@H](CO)CN1CCCC1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001628964258 1290565644 /nfs/dbraw/zinc/56/56/44/1290565644.db2.gz GNAMUTXZUMWMAH-HNNXBMFYSA-N 0 3 374.401 0.421 10 5 FCBEHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001628964259 1290566063 /nfs/dbraw/zinc/56/60/63/1290566063.db2.gz GNAMUTXZUMWMAH-OAHLLOKOSA-N 0 3 374.401 0.421 10 5 FCBEHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001629323700 1290591084 /nfs/dbraw/zinc/59/10/84/1290591084.db2.gz XVNBQJZQANZEOE-MRXNPFEDSA-N 0 3 350.419 0.724 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)n1 ZINC001644149393 1290943701 /nfs/dbraw/zinc/94/37/01/1290943701.db2.gz DTTIILVPGLOHAP-STQMWFEESA-N 0 3 351.407 0.919 10 5 FCBEHN CN(CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CCS(C)(=O)=O ZINC001667412941 1291936215 /nfs/dbraw/zinc/93/62/15/1291936215.db2.gz FXXBKJLRWPOZJF-ZIAGYGMSSA-N 0 3 361.464 0.257 10 5 FCBEHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN2CCC1CC2 ZINC000373730076 217051361 /nfs/dbraw/zinc/05/13/61/217051361.db2.gz UUPBBCPEKKHUAZ-UHFFFAOYSA-N 0 3 358.354 0.497 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000419326434 246099861 /nfs/dbraw/zinc/09/98/61/246099861.db2.gz CGIWJDCRCVTPSY-RBSFLKMASA-N 0 3 353.419 0.721 10 5 FCBEHN NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000301948467 488886160 /nfs/dbraw/zinc/88/61/60/488886160.db2.gz HYGPUCHVODUXTH-HNNXBMFYSA-N 0 3 361.402 0.612 10 5 FCBEHN CCN(CC)C(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075675288 488398159 /nfs/dbraw/zinc/39/81/59/488398159.db2.gz HUIQWRYHRXLTEL-HNNXBMFYSA-N 0 3 353.423 0.733 10 5 FCBEHN C[C@H](O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246931752 488477994 /nfs/dbraw/zinc/47/79/94/488477994.db2.gz AUHOQGRBSOOVKO-DZKIICNBSA-N 0 3 353.419 0.721 10 5 FCBEHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000427162060 489597075 /nfs/dbraw/zinc/59/70/75/489597075.db2.gz ZDMULIVDCVAVHM-HNNXBMFYSA-N 0 3 351.407 0.895 10 5 FCBEHN COC(=O)c1ccc(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000416475631 489598453 /nfs/dbraw/zinc/59/84/53/489598453.db2.gz VDQXAEASRQZXTP-UHFFFAOYSA-N 0 3 359.404 1.000 10 5 FCBEHN CN(C)C[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000464927697 490073010 /nfs/dbraw/zinc/07/30/10/490073010.db2.gz SHGLJFGUUANOTJ-OAHLLOKOSA-N 0 3 363.418 0.947 10 5 FCBEHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588005116 491737291 /nfs/dbraw/zinc/73/72/91/491737291.db2.gz PODMFXUZCNTMAP-HNNXBMFYSA-N 0 3 363.418 0.588 10 5 FCBEHN CN1CC[C@](O)(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680476 491764747 /nfs/dbraw/zinc/76/47/47/491764747.db2.gz SZIVLJOSNXQRBV-KRWDZBQOSA-N 0 3 361.402 0.984 10 5 FCBEHN NC(=O)c1ccc(SCC(=O)N[C@H]2CNCCC2(F)F)c([N+](=O)[O-])c1 ZINC000582607028 491819825 /nfs/dbraw/zinc/81/98/25/491819825.db2.gz LIFNFSUGYGQMRI-NSHDSACASA-N 0 3 374.369 0.899 10 5 FCBEHN COC(=O)c1cnc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591983830 491826596 /nfs/dbraw/zinc/82/65/96/491826596.db2.gz BDMMYFYCRLCHHP-JTQLQIEISA-N 0 3 351.363 0.333 10 5 FCBEHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592081885 491830964 /nfs/dbraw/zinc/83/09/64/491830964.db2.gz CPAMSXPJXBMJHO-GFCCVEGCSA-N 0 3 370.431 0.644 10 5 FCBEHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CC13CC(C1)C[NH2+]3)OCCO2 ZINC000595121274 491885638 /nfs/dbraw/zinc/88/56/38/491885638.db2.gz MOBPBMZVRDFSQX-UHFFFAOYSA-N 0 3 355.372 0.396 10 5 FCBEHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595384745 491926300 /nfs/dbraw/zinc/92/63/00/491926300.db2.gz MEJNLOFWUFWDMQ-GFCCVEGCSA-N 0 3 356.404 0.210 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000595384992 491926591 /nfs/dbraw/zinc/92/65/91/491926591.db2.gz QVQPYDAPMGFKAS-AWEZNQCLSA-N 0 3 355.416 0.815 10 5 FCBEHN N[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000595948316 491963926 /nfs/dbraw/zinc/96/39/26/491963926.db2.gz QMGMXIDDQYBYDS-NXEZZACHSA-N 0 3 358.757 0.876 10 5 FCBEHN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597989191 492076446 /nfs/dbraw/zinc/07/64/46/492076446.db2.gz CPULTEKHBCWATH-CQSZACIVSA-N 0 3 360.374 0.069 10 5 FCBEHN O=[N+]([O-])c1c(NC[C@H](O)CN2CCCCC2)ncnc1N1CCOCC1 ZINC000598588725 492105949 /nfs/dbraw/zinc/10/59/49/492105949.db2.gz BPIZYHXGEYEUQO-ZDUSSCGKSA-N 0 3 366.422 0.480 10 5 FCBEHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2CCC1CC2 ZINC000615883818 492106070 /nfs/dbraw/zinc/10/60/70/492106070.db2.gz GTAGUGHHQOONKS-UHFFFAOYSA-N 0 3 360.370 0.627 10 5 FCBEHN CN1CCC2(CC1)CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CCO2 ZINC000592899364 546960167 /nfs/dbraw/zinc/96/01/67/546960167.db2.gz QAWILYYSNICRBZ-UHFFFAOYSA-N 0 3 351.407 0.850 10 5 FCBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000592879326 546960420 /nfs/dbraw/zinc/96/04/20/546960420.db2.gz KWQVDUNDDBDWNF-LLVKDONJSA-N 0 3 350.375 0.795 10 5 FCBEHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594766311 547006669 /nfs/dbraw/zinc/00/66/69/547006669.db2.gz HSYGKYNKOMMMNK-UHFFFAOYSA-N 0 3 371.463 0.636 10 5 FCBEHN O=C1OCCN1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819012833 668970590 /nfs/dbraw/zinc/97/05/90/668970590.db2.gz QHHGRHGCFRLHQG-UHFFFAOYSA-N 0 3 357.388 0.800 10 5 FCBEHN CN(C)S(=O)(=O)N1CCC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819310503 668996599 /nfs/dbraw/zinc/99/65/99/668996599.db2.gz BNTNAKBDMIMLSX-HIFRSBDPSA-N 0 3 372.447 0.489 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927401 669366402 /nfs/dbraw/zinc/36/64/02/669366402.db2.gz WCBYJYAOHCMCNR-SNVBAGLBSA-N 0 3 350.379 0.761 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828083285 669615979 /nfs/dbraw/zinc/61/59/79/669615979.db2.gz UYZRXUWPYOLNMI-JTQLQIEISA-N 0 3 374.394 0.474 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000844033915 670885121 /nfs/dbraw/zinc/88/51/21/670885121.db2.gz GMALRURAULMCLR-VIFPVBQESA-N 0 3 353.354 0.508 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC3(CCN(C)CC3)C2)n1 ZINC000859146048 671796227 /nfs/dbraw/zinc/79/62/27/671796227.db2.gz KDTBPOKXMKOVFG-UHFFFAOYSA-N 0 3 357.436 0.825 10 5 FCBEHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868345861 672394994 /nfs/dbraw/zinc/39/49/94/672394994.db2.gz RYSOGAHOAHWWTR-JTQLQIEISA-N 0 3 360.208 0.939 10 5 FCBEHN CN(CCO)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000912608552 1196354178 /nfs/dbraw/zinc/35/41/78/1196354178.db2.gz TYWMPDYHSUTLKR-UHFFFAOYSA-N 0 3 366.418 0.428 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000592872292 1196585626 /nfs/dbraw/zinc/58/56/26/1196585626.db2.gz LOOIAHTWFRYMSY-JTQLQIEISA-N 0 3 370.356 0.994 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1=O ZINC000593235904 1196765934 /nfs/dbraw/zinc/76/59/34/1196765934.db2.gz YWXUDKFZXGEQTF-UHFFFAOYSA-N 0 3 371.397 0.989 10 5 FCBEHN CN(C)CCN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1=O ZINC000593354663 1196773020 /nfs/dbraw/zinc/77/30/20/1196773020.db2.gz AUPSYPXWHGSBQM-UHFFFAOYSA-N 0 3 363.418 0.553 10 5 FCBEHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594242934 1196877586 /nfs/dbraw/zinc/87/75/86/1196877586.db2.gz WXEWFQDFUKPKNM-NWDGAFQWSA-N 0 3 360.374 0.432 10 5 FCBEHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001186757514 1206504064 /nfs/dbraw/zinc/50/40/64/1206504064.db2.gz XASVRXRDNFTKFT-ZDUSSCGKSA-N 0 3 368.438 0.711 10 5 FCBEHN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306346 1245364515 /nfs/dbraw/zinc/36/45/15/1245364515.db2.gz PMGOUBBMCYXWJB-HWWQOWPSSA-N 0 3 360.370 0.365 10 5 FCBEHN O=C(CCc1c[nH]cn1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001286040953 1261906993 /nfs/dbraw/zinc/90/69/93/1261906993.db2.gz RPFOWRDJTZZNRW-ZIAGYGMSSA-N 0 3 363.418 0.943 10 5 FCBEHN CN1CCCC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001289519863 1262235543 /nfs/dbraw/zinc/23/55/43/1262235543.db2.gz SMLCMRKRLICXBG-NSHDSACASA-N 0 3 360.370 0.791 10 5 FCBEHN Nc1ncc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001293982002 1262724435 /nfs/dbraw/zinc/72/44/35/1262724435.db2.gz LNFQBHIRRXFFDY-SFHVURJKSA-N 0 3 371.397 0.939 10 5 FCBEHN COc1cc(C(=O)NCC(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC001297880241 1262899409 /nfs/dbraw/zinc/89/94/09/1262899409.db2.gz SGCRPWJNDPOXEG-UHFFFAOYSA-N 0 3 364.402 0.935 10 5 FCBEHN CN(C)CCn1nccc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425454 1263047844 /nfs/dbraw/zinc/04/78/44/1263047844.db2.gz QSPVFYVFSSSRLC-KRWDZBQOSA-N 0 3 361.402 0.990 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001497582351 1263941804 /nfs/dbraw/zinc/94/18/04/1263941804.db2.gz CWOJSYVMJVOSJB-LEINQQNWSA-N 0 3 368.340 0.831 10 5 FCBEHN Cc1nc(C)c(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001505375657 1264269913 /nfs/dbraw/zinc/26/99/13/1264269913.db2.gz FCHCRQHDRMYPGW-CHWSQXEVSA-N 0 3 352.391 0.400 10 5 FCBEHN CCN(CC)C(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001506862503 1264344004 /nfs/dbraw/zinc/34/40/04/1264344004.db2.gz UDRQTWPMSMTJLM-ZIAGYGMSSA-N 0 3 352.435 0.444 10 5 FCBEHN Cc1nccn1CC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512543993 1264630284 /nfs/dbraw/zinc/63/02/84/1264630284.db2.gz SPKHQKDCAXQFBG-HUUCEWRRSA-N 0 3 361.402 0.522 10 5 FCBEHN CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCOC2)CCN1C ZINC001526252202 1266794486 /nfs/dbraw/zinc/79/44/86/1266794486.db2.gz GZLOWYICTDPDRS-ZIAGYGMSSA-N 0 3 352.439 0.868 10 5 FCBEHN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1c[nH]cn1 ZINC001334061877 1266800976 /nfs/dbraw/zinc/80/09/76/1266800976.db2.gz OIRIUQKNVFJGRH-CHWSQXEVSA-N 0 3 351.407 0.608 10 5 FCBEHN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC001527872141 1266931503 /nfs/dbraw/zinc/93/15/03/1266931503.db2.gz NBQLGNVVUXLKDS-UHFFFAOYSA-N 0 3 359.390 0.885 10 5 FCBEHN CN(C)Cc1ccsc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535513977 1267298186 /nfs/dbraw/zinc/29/81/86/1267298186.db2.gz BTQXNGZGSZRBED-VXGBXAGGSA-N 0 3 366.443 0.854 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)n1 ZINC001545794078 1267622424 /nfs/dbraw/zinc/62/24/24/1267622424.db2.gz UGVLFCPUPHDJIU-UONOGXRCSA-N 0 3 364.450 0.909 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC001566453156 1269643733 /nfs/dbraw/zinc/64/37/33/1269643733.db2.gz FBSVEOWLXNRQMX-ZIAGYGMSSA-N 0 3 352.366 0.868 10 5 FCBEHN CCCn1nnnc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001715095061 1287345120 /nfs/dbraw/zinc/34/51/20/1287345120.db2.gz NMCVJOSEXQFPCX-VXGBXAGGSA-N 0 3 351.411 0.267 10 5 FCBEHN CCN(CC)C(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001715310385 1287350430 /nfs/dbraw/zinc/35/04/30/1287350430.db2.gz JWRBRFMIAZNPTP-ZIAGYGMSSA-N 0 3 352.435 0.444 10 5 FCBEHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001583251336 1282080104 /nfs/dbraw/zinc/08/01/04/1282080104.db2.gz LZFCPOPXLFTEAN-INIZCTEOSA-N 0 3 352.391 0.717 10 5 FCBEHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001583251337 1282080208 /nfs/dbraw/zinc/08/02/08/1282080208.db2.gz LZFCPOPXLFTEAN-MRXNPFEDSA-N 0 3 352.391 0.717 10 5 FCBEHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001641150830 1282927355 /nfs/dbraw/zinc/92/73/55/1282927355.db2.gz AOQJPLXGBCNDNR-UHFFFAOYSA-N 0 3 371.825 0.922 10 5 FCBEHN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cnn(-c2ccncc2)c1 ZINC001705261706 1286363562 /nfs/dbraw/zinc/36/35/62/1286363562.db2.gz UILMFBDHOWERMH-ZIAGYGMSSA-N 0 3 370.369 0.311 10 5 FCBEHN CCOCCNCc1nc2c(s1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001707277827 1287133227 /nfs/dbraw/zinc/13/32/27/1287133227.db2.gz LGEDMKAZKYCDRH-ZYHUDNBSSA-N 0 3 354.432 0.819 10 5 FCBEHN Cc1nccn1CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001726059913 1288493227 /nfs/dbraw/zinc/49/32/27/1288493227.db2.gz LEHCPFLKWFHCIF-ZIAGYGMSSA-N 0 3 363.418 0.792 10 5 FCBEHN COc1cccc2c1CC[C@@]2(CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538242 1289997014 /nfs/dbraw/zinc/99/70/14/1289997014.db2.gz RXZLPSCEVANOAH-GUYCJALGSA-N 0 3 362.386 0.584 10 5 FCBEHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001629323699 1290591610 /nfs/dbraw/zinc/59/16/10/1290591610.db2.gz XVNBQJZQANZEOE-INIZCTEOSA-N 0 3 350.419 0.724 10 5 FCBEHN CS(=O)(=O)NC[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001648250663 1291115246 /nfs/dbraw/zinc/11/52/46/1291115246.db2.gz WCCCIDZGPMPLKQ-GFCCVEGCSA-N 0 3 370.431 0.795 10 5 FCBEHN COCCN(C)CCN1C[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)CC1=O ZINC001651161018 1291199398 /nfs/dbraw/zinc/19/93/98/1291199398.db2.gz NILMPCNKXAQKRQ-GFCCVEGCSA-N 0 3 354.411 0.228 10 5 FCBEHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001652655948 1291289526 /nfs/dbraw/zinc/28/95/26/1291289526.db2.gz VOWKVGKBMCAAGV-HNNXBMFYSA-N 0 3 350.379 0.410 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001653333260 1291336957 /nfs/dbraw/zinc/33/69/57/1291336957.db2.gz MPKBPQOTFFKCKI-QWHCGFSZSA-N 0 3 351.407 0.942 10 5 FCBEHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001660481576 1291660502 /nfs/dbraw/zinc/66/05/02/1291660502.db2.gz VTYXCRHZMDEUEN-CALCHBBNSA-N 0 3 351.403 0.604 10 5 FCBEHN CCN(C(=O)CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001677562264 1292237655 /nfs/dbraw/zinc/23/76/55/1292237655.db2.gz HERXXLNGZLRZFR-HUUCEWRRSA-N 0 3 350.419 0.411 10 5 FCBEHN CCN1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001136666755 849234271 /nfs/dbraw/zinc/23/42/71/849234271.db2.gz CCFQPDJTYXOEJQ-UHFFFAOYSA-N 0 3 370.431 0.427 10 5 FCBEHN O=C(NC/C=C/CNCc1cc(=O)n2ccsc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC001274014830 860659966 /nfs/dbraw/zinc/65/99/66/860659966.db2.gz DLYULHKYHJTZIO-NUYITTKVSA-N 0 3 363.399 0.183 10 5 FCBEHN O=C(NC1(CO)CCN(CCn2cc(Cl)cn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001328529619 871483662 /nfs/dbraw/zinc/48/36/62/871483662.db2.gz JJQONXRBXUWCAK-CHWSQXEVSA-N 0 3 371.825 0.145 10 5 FCBEHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295420437 214295841 /nfs/dbraw/zinc/29/58/41/214295841.db2.gz NJUGELKMBMGGAA-XIRDDKMYSA-N 0 3 351.403 0.739 10 5 FCBEHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295420422 214295848 /nfs/dbraw/zinc/29/58/48/214295848.db2.gz NJUGELKMBMGGAA-PVAVHDDUSA-N 0 3 351.403 0.739 10 5 FCBEHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295457669 214299418 /nfs/dbraw/zinc/29/94/18/214299418.db2.gz PZAKXDDPSILMOZ-CPUCHLNUSA-N 0 3 351.403 0.739 10 5 FCBEHN O=C1NC(=O)[C@@]2(CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003663 212505361 /nfs/dbraw/zinc/50/53/61/212505361.db2.gz DCNFRXCARYJBHW-ZBEGNZNMSA-N 0 3 364.358 0.009 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCN(c3ccncc3)CC2)n1 ZINC000271379587 211391126 /nfs/dbraw/zinc/39/11/26/211391126.db2.gz JKRIBWHSPDZJFZ-UHFFFAOYSA-N 0 3 373.417 0.665 10 5 FCBEHN COc1ccc(NC(=O)CCN2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270587166 211228522 /nfs/dbraw/zinc/22/85/22/211228522.db2.gz DOFFSCRDACGWPW-JTQLQIEISA-N 0 3 351.363 0.675 10 5 FCBEHN NS(=O)(=O)c1ccc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131341 488159114 /nfs/dbraw/zinc/15/91/14/488159114.db2.gz NJPHDQIYCKWZRX-LLVKDONJSA-N 0 3 358.420 0.501 10 5 FCBEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246931803 488477978 /nfs/dbraw/zinc/47/79/78/488477978.db2.gz AUHOQGRBSOOVKO-OFQRWUPVSA-N 0 3 353.419 0.721 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000136133268 488676489 /nfs/dbraw/zinc/67/64/89/488676489.db2.gz PWTVDFXTXKQEEV-WFASDCNBSA-N 0 3 361.406 0.958 10 5 FCBEHN CCN1CCN(c2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cn2)CC1 ZINC000136267058 488676978 /nfs/dbraw/zinc/67/69/78/488676978.db2.gz KEKPNQDVDVPYOD-UHFFFAOYSA-N 0 3 359.390 0.785 10 5 FCBEHN Cc1nn(CCC(=O)NC[C@@H](O)CN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000160510666 488792191 /nfs/dbraw/zinc/79/21/91/488792191.db2.gz AYZKUDUDYRBECK-CQSZACIVSA-N 0 3 353.423 0.761 10 5 FCBEHN CN1CCC[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000299252807 489424585 /nfs/dbraw/zinc/42/45/85/489424585.db2.gz PSIJPTVGTHARJQ-RBSFLKMASA-N 0 3 352.391 0.383 10 5 FCBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@](O)(CO)C1 ZINC000459638007 489743460 /nfs/dbraw/zinc/74/34/60/489743460.db2.gz SSMIKSOHKNERPM-INIZCTEOSA-N 0 3 351.359 0.712 10 5 FCBEHN CN(C)CCN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000480084937 490159254 /nfs/dbraw/zinc/15/92/54/490159254.db2.gz RLNBAHVHUYAGRE-UHFFFAOYSA-N 0 3 358.420 0.283 10 5 FCBEHN CN1CCC(Oc2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000501438210 490604524 /nfs/dbraw/zinc/60/45/24/490604524.db2.gz ZCSKAZFLBRCEEF-UHFFFAOYSA-N 0 3 374.401 0.976 10 5 FCBEHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@H]1N1CCN(C)CC1 ZINC000487091265 490692219 /nfs/dbraw/zinc/69/22/19/490692219.db2.gz HOKUVVMWEUELRV-IUODEOHRSA-N 0 3 362.434 0.551 10 5 FCBEHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000574254947 491484125 /nfs/dbraw/zinc/48/41/25/491484125.db2.gz ZCRAXSNAENLLKR-LSDHHAIUSA-N 0 3 354.407 0.985 10 5 FCBEHN C[C@H]1CCN(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000574290246 491487083 /nfs/dbraw/zinc/48/70/83/491487083.db2.gz PYWDYUYEAGIGJT-LBPRGKRZSA-N 0 3 370.431 0.331 10 5 FCBEHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588001074 491736888 /nfs/dbraw/zinc/73/68/88/491736888.db2.gz LCSSMKAQOZEZCS-HNNXBMFYSA-N 0 3 363.418 0.412 10 5 FCBEHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590442901 491776647 /nfs/dbraw/zinc/77/66/47/491776647.db2.gz HZBWCXPRYVIEKN-AVGNSLFASA-N 0 3 350.423 0.990 10 5 FCBEHN CCC1(N2CCOCC2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000600681656 491875343 /nfs/dbraw/zinc/87/53/43/491875343.db2.gz FKMPGIWOSGBNMQ-UHFFFAOYSA-N 0 3 352.395 0.290 10 5 FCBEHN NCC12CC(C1)CN2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595274188 491910152 /nfs/dbraw/zinc/91/01/52/491910152.db2.gz SSAAOWKJGRRDCU-UHFFFAOYSA-N 0 3 368.415 0.501 10 5 FCBEHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595663465 491946820 /nfs/dbraw/zinc/94/68/20/491946820.db2.gz OILVNDTWTRXMSZ-SWLSCSKDSA-N 0 3 367.358 0.852 10 5 FCBEHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596097855 491975526 /nfs/dbraw/zinc/97/55/26/491975526.db2.gz HVFQMJMRPHAMNF-UHFFFAOYSA-N 0 3 368.777 0.179 10 5 FCBEHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597575262 492048652 /nfs/dbraw/zinc/04/86/52/492048652.db2.gz WAQIBKXBYOKIDC-MRXNPFEDSA-N 0 3 351.359 0.852 10 5 FCBEHN CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598531624 492103293 /nfs/dbraw/zinc/10/32/93/492103293.db2.gz MXMLWYWONOZIAQ-NWDGAFQWSA-N 0 3 370.431 0.472 10 5 FCBEHN CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@H](C)N1 ZINC000598530987 492103516 /nfs/dbraw/zinc/10/35/16/492103516.db2.gz CIZPVSKUSSCMMW-GXSJLCMTSA-N 0 3 370.431 0.763 10 5 FCBEHN CN(C)S(=O)(=O)N1CC(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599086466 492134003 /nfs/dbraw/zinc/13/40/03/492134003.db2.gz NXZFFLMTEGNILY-OAHLLOKOSA-N 0 3 368.459 0.996 10 5 FCBEHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CC[NH2+]C13CCC3)OCCO2 ZINC000599108854 492136380 /nfs/dbraw/zinc/13/63/80/492136380.db2.gz YBJXIFGMMKCYNE-AWEZNQCLSA-N 0 3 369.399 0.929 10 5 FCBEHN Cc1c(CNC(=O)C(=O)Nc2cnn(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000616788765 492143542 /nfs/dbraw/zinc/14/35/42/492143542.db2.gz JQLVDIKTZWCTTE-UHFFFAOYSA-N 0 3 374.401 0.916 10 5 FCBEHN COc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592878589 546959905 /nfs/dbraw/zinc/95/99/05/546959905.db2.gz HIHMRQFQAXILCS-LLVKDONJSA-N 0 3 350.375 0.795 10 5 FCBEHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593581183 546979127 /nfs/dbraw/zinc/97/91/27/546979127.db2.gz PDFFGIQVKOQZKR-GFCCVEGCSA-N 0 3 357.436 0.294 10 5 FCBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000594531447 547000918 /nfs/dbraw/zinc/00/09/18/547000918.db2.gz ATTZXYHLTQRMOX-SNVBAGLBSA-N 0 3 364.280 0.938 10 5 FCBEHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000847040850 671168109 /nfs/dbraw/zinc/16/81/09/671168109.db2.gz SFIXDHBIIOSUOI-NWDGAFQWSA-N 0 3 354.794 0.938 10 5 FCBEHN CCN(C(=O)CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccccc1 ZINC001269411402 1187847335 /nfs/dbraw/zinc/84/73/35/1187847335.db2.gz FWZGTNJRANFMMZ-HUUCEWRRSA-N 0 3 360.414 0.943 10 5 FCBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593053301 1193784929 /nfs/dbraw/zinc/78/49/29/1193784929.db2.gz YTJDNQSHJNZTSA-UHFFFAOYSA-N 0 3 363.418 0.548 10 5 FCBEHN CN(C)CCN1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593053111 1196605923 /nfs/dbraw/zinc/60/59/23/1196605923.db2.gz XCSFISHLUHVZTH-UHFFFAOYSA-N 0 3 363.418 0.263 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1=O ZINC000593783637 1196820127 /nfs/dbraw/zinc/82/01/27/1196820127.db2.gz BVXUENXSUYVSTO-UHFFFAOYSA-N 0 3 359.386 0.922 10 5 FCBEHN CN(C)CCN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1=O ZINC000844714116 1204429929 /nfs/dbraw/zinc/42/99/29/1204429929.db2.gz JCYOZWRZWFOHFT-UHFFFAOYSA-N 0 3 373.417 0.517 10 5 FCBEHN Cc1nccn1CCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001489817043 1209097205 /nfs/dbraw/zinc/09/72/05/1209097205.db2.gz HFXFBPXUBRUTPR-LXTVHRRPSA-N 0 3 363.418 0.648 10 5 FCBEHN CCN1CC[C@H]2OCCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000840084669 1222770051 /nfs/dbraw/zinc/77/00/51/1222770051.db2.gz WOFIBKCJGFAZHX-LSDHHAIUSA-N 0 3 374.397 0.943 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001472258438 1261454950 /nfs/dbraw/zinc/45/49/50/1261454950.db2.gz GJOXIHNWCCZUDT-KGLIPLIRSA-N 0 3 351.407 0.547 10 5 FCBEHN Cc1noc(CNCCCOC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001282582436 1261540395 /nfs/dbraw/zinc/54/03/95/1261540395.db2.gz WNIRQNUHUXXTRO-ZIAGYGMSSA-N 0 3 367.406 0.531 10 5 FCBEHN CC(C)n1ncnc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001327634067 1265380141 /nfs/dbraw/zinc/38/01/41/1265380141.db2.gz BGPICMDTDVDKNL-CHWSQXEVSA-N 0 3 366.422 0.279 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)n1 ZINC001545794077 1267622678 /nfs/dbraw/zinc/62/26/78/1267622678.db2.gz UGVLFCPUPHDJIU-KGLIPLIRSA-N 0 3 364.450 0.909 10 5 FCBEHN CCc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051712 1269014656 /nfs/dbraw/zinc/01/46/56/1269014656.db2.gz YEEQEOQDWIPAMM-QWHCGFSZSA-N 0 3 351.407 0.988 10 5 FCBEHN CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051710 1269015034 /nfs/dbraw/zinc/01/50/34/1269015034.db2.gz YEEQEOQDWIPAMM-CHWSQXEVSA-N 0 3 351.407 0.988 10 5 FCBEHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198652 1269055285 /nfs/dbraw/zinc/05/52/85/1269055285.db2.gz WJGTVZWVKADCIW-GJZGRUSLSA-N 0 3 357.374 0.879 10 5 FCBEHN CONC(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001560124544 1269189366 /nfs/dbraw/zinc/18/93/66/1269189366.db2.gz YIYSMLKBLLYNBJ-CYBMUJFWSA-N 0 3 353.375 0.724 10 5 FCBEHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1)NCC1CC1 ZINC001570052206 1269834817 /nfs/dbraw/zinc/83/48/17/1269834817.db2.gz MGXKWMGWAIRXEU-ZIAGYGMSSA-N 0 3 350.419 0.102 10 5 FCBEHN Cc1nccn1CCCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001720399461 1288229585 /nfs/dbraw/zinc/22/95/85/1288229585.db2.gz ZVWGZUWKTYBYCH-HUUCEWRRSA-N 0 3 363.418 0.744 10 5 FCBEHN CC(C)NC(=O)NCCN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001734623395 1288662457 /nfs/dbraw/zinc/66/24/57/1288662457.db2.gz BEABVCBBVXPZBZ-ZIAGYGMSSA-N 0 3 353.423 0.108 10 5 FCBEHN CCN1CCN(C[C@H](C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001615912416 1289764619 /nfs/dbraw/zinc/76/46/19/1289764619.db2.gz WHXRUVFHKYWQJJ-GFCCVEGCSA-N 0 3 350.423 0.575 10 5 FCBEHN O=C(N[C@H](CO)CN1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001625504876 1290346391 /nfs/dbraw/zinc/34/63/91/1290346391.db2.gz HABBGLAKLOYTEG-AWEZNQCLSA-N 0 3 359.386 0.967 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001628482335 1290536875 /nfs/dbraw/zinc/53/68/75/1290536875.db2.gz ZGRSKXOKAWFKLQ-UHFFFAOYSA-N 0 3 363.418 0.924 10 5 FCBEHN CN(C)CCN1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC001646591522 1291068357 /nfs/dbraw/zinc/06/83/57/1291068357.db2.gz WWJCJQHGCZWEJW-UHFFFAOYSA-N 0 3 374.401 0.851 10 5 FCBEHN Cn1cc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC001659971374 1291648564 /nfs/dbraw/zinc/64/85/64/1291648564.db2.gz LVCKZTDMNSUQGO-UHFFFAOYSA-N 0 3 350.423 0.634 10 5 FCBEHN CN(CC(=O)Nc1nccs1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001676049399 1292193019 /nfs/dbraw/zinc/19/30/19/1292193019.db2.gz HLSLJAAZHJBUTQ-VXGBXAGGSA-N 0 3 367.431 0.670 10 5 FCBEHN CN(CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)CCOCCO ZINC001303014351 866372507 /nfs/dbraw/zinc/37/25/07/866372507.db2.gz AYSCMEODTZVOJR-UHFFFAOYSA-N 0 3 350.375 0.747 10 5 FCBEHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C ZINC000292624597 214113255 /nfs/dbraw/zinc/11/32/55/214113255.db2.gz MFRNWBOQRRUZDJ-JTQLQIEISA-N 0 3 359.404 0.857 10 5 FCBEHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295420419 214295999 /nfs/dbraw/zinc/29/59/99/214295999.db2.gz NJUGELKMBMGGAA-OIISXLGYSA-N 0 3 351.403 0.739 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000361450879 215394017 /nfs/dbraw/zinc/39/40/17/215394017.db2.gz QQIDPZHPRFWYSB-GOEBONIOSA-N 0 3 353.423 0.339 10 5 FCBEHN COc1ccc(NC(=O)CCN2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368329240 216234507 /nfs/dbraw/zinc/23/45/07/216234507.db2.gz RUPPMFXGIRJHBC-CYBMUJFWSA-N 0 3 364.402 0.948 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCOC[C@@H]2C1 ZINC000368821221 216299601 /nfs/dbraw/zinc/29/96/01/216299601.db2.gz AZXGPMGCVLGLKM-AWEZNQCLSA-N 0 3 364.402 0.948 10 5 FCBEHN CN1CCN([C@@H]2CCCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000182907901 209139586 /nfs/dbraw/zinc/13/95/86/209139586.db2.gz GDVSPBWTZPAFJR-MRXNPFEDSA-N 0 3 363.462 0.858 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000270574851 211227654 /nfs/dbraw/zinc/22/76/54/211227654.db2.gz BQCFQWZYEYVMNC-SNVBAGLBSA-N 0 3 351.363 0.675 10 5 FCBEHN CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000106103210 208211938 /nfs/dbraw/zinc/21/19/38/208211938.db2.gz IIQNQKOEILZZGZ-DOMZBBRYSA-N 0 3 350.419 0.971 10 5 FCBEHN COCCN1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069527818 488373204 /nfs/dbraw/zinc/37/32/04/488373204.db2.gz TVBCXXNOQZJYIF-HNNXBMFYSA-N 0 3 364.402 0.552 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000248447316 488496603 /nfs/dbraw/zinc/49/66/03/488496603.db2.gz HETKUMLNXTWKSH-INMHGKMJSA-N 0 3 365.430 0.987 10 5 FCBEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272362088 488575743 /nfs/dbraw/zinc/57/57/43/488575743.db2.gz SFMOUTJMICXQFM-LBPRGKRZSA-N 0 3 351.359 0.900 10 5 FCBEHN CN(C)Cc1ccc(N2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)nc1 ZINC000122434601 488578330 /nfs/dbraw/zinc/57/83/30/488578330.db2.gz DMFSVBKDVMHPRF-UHFFFAOYSA-N 0 3 373.417 0.747 10 5 FCBEHN CN(C)CCn1cc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000135166631 488671581 /nfs/dbraw/zinc/67/15/81/488671581.db2.gz IORCITIYSBFOFF-UHFFFAOYSA-N 0 3 374.401 0.650 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000170841754 488816834 /nfs/dbraw/zinc/81/68/34/488816834.db2.gz WULCQQONDQGLIA-UHFFFAOYSA-N 0 3 351.363 0.822 10 5 FCBEHN O=C(C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 ZINC000173496544 488843099 /nfs/dbraw/zinc/84/30/99/488843099.db2.gz CPRMRXDFDLPFGK-INIZCTEOSA-N 0 3 365.434 0.877 10 5 FCBEHN Cn1cc(CN2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174784265 488851172 /nfs/dbraw/zinc/85/11/72/488851172.db2.gz ZTMNFTCHZLDKDK-INIZCTEOSA-N 0 3 363.422 0.094 10 5 FCBEHN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CN2CCC1CC2 ZINC000366001252 489133896 /nfs/dbraw/zinc/13/38/96/489133896.db2.gz NYADRDWIWKOREW-AWEZNQCLSA-N 0 3 372.381 0.743 10 5 FCBEHN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CN2CCC1CC2 ZINC000366001253 489134128 /nfs/dbraw/zinc/13/41/28/489134128.db2.gz NYADRDWIWKOREW-CQSZACIVSA-N 0 3 372.381 0.743 10 5 FCBEHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617822 491258636 /nfs/dbraw/zinc/25/86/36/491258636.db2.gz HLSKTNONQYEIPY-GJZGRUSLSA-N 0 3 360.374 0.332 10 5 FCBEHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000427165195 489597493 /nfs/dbraw/zinc/59/74/93/489597493.db2.gz QKPUBKQTWUNUKW-AWEZNQCLSA-N 0 3 351.407 0.895 10 5 FCBEHN O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960261 491279702 /nfs/dbraw/zinc/27/97/02/491279702.db2.gz ROLNDIQHJMUKHZ-GXSJLCMTSA-N 0 3 372.328 0.906 10 5 FCBEHN CC1(C)NC(=O)CC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494915708 489920317 /nfs/dbraw/zinc/92/03/17/489920317.db2.gz PSBSPSODGABBJZ-ZDUSSCGKSA-N 0 3 370.431 0.520 10 5 FCBEHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556509572 491317246 /nfs/dbraw/zinc/31/72/46/491317246.db2.gz ILNOOGKEHPXXCM-GFCCVEGCSA-N 0 3 366.418 0.870 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@]2(CCO)CCOC2)cc1 ZINC000571642217 491320469 /nfs/dbraw/zinc/32/04/69/491320469.db2.gz JQQAHKBWJPAEII-HNNXBMFYSA-N 0 3 358.416 0.747 10 5 FCBEHN CCN1CCC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000486382990 490616166 /nfs/dbraw/zinc/61/61/66/490616166.db2.gz UVPZXACESRMWLD-NSHDSACASA-N 0 3 360.370 0.791 10 5 FCBEHN CCN(CC)CC(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000502358509 490702546 /nfs/dbraw/zinc/70/25/46/490702546.db2.gz AEUQBNYCNVRFII-UHFFFAOYSA-N 0 3 361.406 0.628 10 5 FCBEHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000575195635 491544880 /nfs/dbraw/zinc/54/48/80/491544880.db2.gz PLEKNZBZCNFYSB-NSHDSACASA-N 0 3 356.404 0.036 10 5 FCBEHN CN1C[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590445013 491777082 /nfs/dbraw/zinc/77/70/82/491777082.db2.gz PJUVNJYQMAZZQY-SMDDNHRTSA-N 0 3 360.370 0.483 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601181024 491898608 /nfs/dbraw/zinc/89/86/08/491898608.db2.gz CSAOTWYNGPTTQG-MRVPVSSYSA-N 0 3 364.328 0.903 10 5 FCBEHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCOC3(CNC3)C2)c1 ZINC000596106721 491975350 /nfs/dbraw/zinc/97/53/50/491975350.db2.gz RBBGSSXTVGCEPL-UHFFFAOYSA-N 0 3 371.397 0.962 10 5 FCBEHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598181629 492087674 /nfs/dbraw/zinc/08/76/74/492087674.db2.gz BGPRKQAFEXOIMG-UHFFFAOYSA-N 0 3 372.372 0.894 10 5 FCBEHN CC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598531325 492103378 /nfs/dbraw/zinc/10/33/78/492103378.db2.gz JRJAIVLDOCWMFC-GXSJLCMTSA-N 0 3 356.404 0.455 10 5 FCBEHN CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CN2CCC1CC2 ZINC000609532464 492211999 /nfs/dbraw/zinc/21/19/99/492211999.db2.gz CUVJLILVLFRWSH-HNNXBMFYSA-N 0 3 374.397 0.873 10 5 FCBEHN CCc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000444331917 536005296 /nfs/dbraw/zinc/00/52/96/536005296.db2.gz RAGYVPGRDLHGQJ-LBPRGKRZSA-N 0 3 368.438 0.703 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592083948 546944382 /nfs/dbraw/zinc/94/43/82/546944382.db2.gz XJPRCIVWTHFGQH-LBPRGKRZSA-N 0 3 370.431 0.476 10 5 FCBEHN CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183812 546945584 /nfs/dbraw/zinc/94/55/84/546945584.db2.gz FUSYSCMQCJMRGI-PWSUYJOCSA-N 0 3 365.312 0.153 10 5 FCBEHN CCCc1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872822 546959999 /nfs/dbraw/zinc/95/99/99/546959999.db2.gz LZQSEXCQQYKRRG-SNVBAGLBSA-N 0 3 352.395 0.462 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872822 546960003 /nfs/dbraw/zinc/96/00/03/546960003.db2.gz LZQSEXCQQYKRRG-SNVBAGLBSA-N 0 3 352.395 0.462 10 5 FCBEHN CN(C)CCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000593230693 546964561 /nfs/dbraw/zinc/96/45/61/546964561.db2.gz AFGKOJISCMKDOB-UHFFFAOYSA-N 0 3 350.375 0.206 10 5 FCBEHN CN(C)CCN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593235304 546964876 /nfs/dbraw/zinc/96/48/76/546964876.db2.gz RKERDKJCAANDNQ-UHFFFAOYSA-N 0 3 350.375 0.206 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593749807 546990304 /nfs/dbraw/zinc/99/03/04/546990304.db2.gz XELQTTLBASGEEF-NSHDSACASA-N 0 3 352.366 0.855 10 5 FCBEHN C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594400352 546998245 /nfs/dbraw/zinc/99/82/45/546998245.db2.gz BETQSNRTXPDWOF-TXEJJXNPSA-N 0 3 370.431 0.330 10 5 FCBEHN NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450700 546998981 /nfs/dbraw/zinc/99/89/81/546998981.db2.gz RIAHDVOHFAGRAU-CBAPKCEASA-N 0 3 364.280 0.798 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844033498 670884831 /nfs/dbraw/zinc/88/48/31/670884831.db2.gz FFFWIKMWXGRJCM-BXUZGUMPSA-N 0 3 350.375 0.207 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844033500 670885143 /nfs/dbraw/zinc/88/51/43/670885143.db2.gz FFFWIKMWXGRJCM-RISCZKNCSA-N 0 3 350.375 0.207 10 5 FCBEHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCN(C)C)C(=O)C1 ZINC000593052715 1196605598 /nfs/dbraw/zinc/60/55/98/1196605598.db2.gz VCMOFFCGQZUTMU-CYBMUJFWSA-N 0 3 363.418 0.628 10 5 FCBEHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594025730 1196847011 /nfs/dbraw/zinc/84/70/11/1196847011.db2.gz RLYDLRBRUOXUIQ-WDEREUQCSA-N 0 3 364.358 0.013 10 5 FCBEHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CN(CCOCC1CC1)CCO2 ZINC001274868361 1211135116 /nfs/dbraw/zinc/13/51/16/1211135116.db2.gz YBKGFHIDQQBEHL-HZPDHXFCSA-N 0 3 367.446 0.772 10 5 FCBEHN CC(C)(O)CN1CCc2c(cccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000753117386 1220086889 /nfs/dbraw/zinc/08/68/89/1220086889.db2.gz ZZOOLBRXVLBTJO-UHFFFAOYSA-N 0 3 374.401 0.954 10 5 FCBEHN O=C(c1cccc2c[nH]nc21)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007100 1246427053 /nfs/dbraw/zinc/42/70/53/1246427053.db2.gz FJSMUGBYDARUDU-ZIAGYGMSSA-N 0 3 357.370 0.903 10 5 FCBEHN CC(C)(C)NC(=O)CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001282985300 1261664942 /nfs/dbraw/zinc/66/49/42/1261664942.db2.gz LHYQCMKLEFLZSY-HLNSBACISA-N 0 3 366.462 0.737 10 5 FCBEHN CN(CC(=O)Nc1ccon1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001485756135 1263513723 /nfs/dbraw/zinc/51/37/23/1263513723.db2.gz AHFKARUTHURIQR-VXGBXAGGSA-N 0 3 351.363 0.201 10 5 FCBEHN Cc1cncn1CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486767471 1263552784 /nfs/dbraw/zinc/55/27/84/1263552784.db2.gz MHNSYBSTNBLSTR-CHWSQXEVSA-N 0 3 351.407 0.458 10 5 FCBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC001542841848 1267508702 /nfs/dbraw/zinc/50/87/02/1267508702.db2.gz JFZRWPYUSWAFKQ-UHFFFAOYSA-N 0 3 361.402 0.678 10 5 FCBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)Nc1ccccc1F ZINC001712946558 1287259348 /nfs/dbraw/zinc/25/93/48/1287259348.db2.gz ZJJRNMSJIBCNTN-BXUZGUMPSA-N 0 3 352.366 0.868 10 5 FCBEHN Cc1cc(CN2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC001713068127 1287262686 /nfs/dbraw/zinc/26/26/86/1287262686.db2.gz JXRDXVJEFTZANZ-HZPDHXFCSA-N 0 3 364.450 0.018 10 5 FCBEHN O=C(NC1(CNCc2noc3c2COCC3)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001714132919 1287312737 /nfs/dbraw/zinc/31/27/37/1287312737.db2.gz FGHVPVNHWRDZCL-BXUZGUMPSA-N 0 3 364.402 0.931 10 5 FCBEHN O=C(NCC1(NCc2cc3n(n2)CCC3)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001716904357 1287393005 /nfs/dbraw/zinc/39/30/05/1287393005.db2.gz JOHVWULAMXYOTD-HUUCEWRRSA-N 0 3 363.418 0.250 10 5 FCBEHN Cc1nsc(C)c1CN1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717350761 1287419314 /nfs/dbraw/zinc/41/93/14/1287419314.db2.gz QEUHLDCGJVTNBM-TZMCWYRMSA-N 0 3 368.459 0.868 10 5 FCBEHN O=C(N[C@@H](CO)CN1CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001641852157 1282976277 /nfs/dbraw/zinc/97/62/77/1282976277.db2.gz BGIDAUSNWPLBRK-GFCCVEGCSA-N 0 3 369.443 0.866 10 5 FCBEHN Cc1nccn1CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703985200 1286167905 /nfs/dbraw/zinc/16/79/05/1286167905.db2.gz HIDJKRAEDHWKAN-SSZWKKLZSA-N 0 3 361.402 0.210 10 5 FCBEHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001626354263 1290392350 /nfs/dbraw/zinc/39/23/50/1290392350.db2.gz RXQMKPLKPKPZKQ-HNNXBMFYSA-N 0 3 361.402 0.731 10 5 FCBEHN C[C@@]1(CO)C[C@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001654290744 1291404541 /nfs/dbraw/zinc/40/45/41/1291404541.db2.gz BKCAMQWHYLVBKL-LRDDRELGSA-N 0 3 351.359 0.710 10 5 FCBEHN CCCCOCCN1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001328116120 871235133 /nfs/dbraw/zinc/23/51/33/871235133.db2.gz INMBZQCQRJPOLL-HZPDHXFCSA-N 0 3 354.451 0.297 10 5 FCBEHN CN(C)C[C@H]1CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000291499225 214038770 /nfs/dbraw/zinc/03/87/70/214038770.db2.gz MLEFBMPYZCUBMR-LLVKDONJSA-N 0 3 360.370 0.743 10 5 FCBEHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246318720 209383824 /nfs/dbraw/zinc/38/38/24/209383824.db2.gz CWWHFLHVQGMVPZ-QGPMSJSTSA-N 0 3 365.430 0.987 10 5 FCBEHN CN(C)C1(CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275386581 212017411 /nfs/dbraw/zinc/01/74/11/212017411.db2.gz BXSOVJIEDXESTJ-HUUCEWRRSA-N 0 3 366.418 0.773 10 5 FCBEHN COc1cccc(CN(CCN(C)C)C(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000482367728 250387750 /nfs/dbraw/zinc/38/77/50/250387750.db2.gz ZTGJYNAVPDRGQY-UHFFFAOYSA-N 0 3 362.390 0.785 10 5 FCBEHN NS(=O)(=O)c1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131340 488158559 /nfs/dbraw/zinc/15/85/59/488158559.db2.gz NJPHDQIYCKWZRX-NSHDSACASA-N 0 3 358.420 0.501 10 5 FCBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000075969103 488400537 /nfs/dbraw/zinc/40/05/37/488400537.db2.gz QQIDPZHPRFWYSB-ZBFHGGJFSA-N 0 3 353.423 0.339 10 5 FCBEHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000191801795 488421341 /nfs/dbraw/zinc/42/13/41/488421341.db2.gz OQXFLHBIMVWJLA-UHFFFAOYSA-N 0 3 364.406 0.191 10 5 FCBEHN Cn1cc([C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891138 491201407 /nfs/dbraw/zinc/20/14/07/491201407.db2.gz RQLPISDLPMPQHZ-GJZGRUSLSA-N 0 3 364.406 0.379 10 5 FCBEHN CN(C)CCNC(=O)c1cccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271470027 488521789 /nfs/dbraw/zinc/52/17/89/488521789.db2.gz YMQPAMXLUHVEQQ-UHFFFAOYSA-N 0 3 374.401 0.550 10 5 FCBEHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000263751442 488624242 /nfs/dbraw/zinc/62/42/42/488624242.db2.gz SUMHYJRSHFNQPG-CYBMUJFWSA-N 0 3 364.406 0.443 10 5 FCBEHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)CN1CCCCC1 ZINC000274485175 488712569 /nfs/dbraw/zinc/71/25/69/488712569.db2.gz CBPCVYVYMBVQPF-HNNXBMFYSA-N 0 3 364.402 0.288 10 5 FCBEHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000427162061 489597110 /nfs/dbraw/zinc/59/71/10/489597110.db2.gz ZDMULIVDCVAVHM-OAHLLOKOSA-N 0 3 351.407 0.895 10 5 FCBEHN CC1(C)NC(=O)CC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000495049233 489924936 /nfs/dbraw/zinc/92/49/36/489924936.db2.gz RCPWYPHFINUMDP-ZDUSSCGKSA-N 0 3 370.431 0.520 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000420969151 490036116 /nfs/dbraw/zinc/03/61/16/490036116.db2.gz BIZNACOYBARLKK-UHFFFAOYSA-N 0 3 373.431 0.346 10 5 FCBEHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCNc1ccncc1 ZINC000467224317 490270074 /nfs/dbraw/zinc/27/00/74/490270074.db2.gz UZWYYEHQNULDLK-UHFFFAOYSA-N 0 3 358.354 0.954 10 5 FCBEHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000487091270 490692278 /nfs/dbraw/zinc/69/22/78/490692278.db2.gz HOKUVVMWEUELRV-WFASDCNBSA-N 0 3 362.434 0.551 10 5 FCBEHN CS(=O)(=O)N1CC[C@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085854 490762073 /nfs/dbraw/zinc/76/20/73/490762073.db2.gz ZMHQVFNLJJUJMW-CHWSQXEVSA-N 0 3 369.447 0.758 10 5 FCBEHN COCCN(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518399989 490939897 /nfs/dbraw/zinc/93/98/97/490939897.db2.gz ZFYZIDCADNZSQD-LBPRGKRZSA-N 0 3 368.390 0.487 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592082239 491831093 /nfs/dbraw/zinc/83/10/93/491831093.db2.gz IHIPBAIXUXFKDD-NSHDSACASA-N 0 3 356.404 0.335 10 5 FCBEHN NC(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000583751008 491851273 /nfs/dbraw/zinc/85/12/73/491851273.db2.gz XPUSAIPKGNDDOS-NSHDSACASA-N 0 3 360.292 0.769 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(F)c1 ZINC000595384780 491926939 /nfs/dbraw/zinc/92/69/39/491926939.db2.gz NLNKVTZXSFALLB-ZDUSSCGKSA-N 0 3 373.406 0.954 10 5 FCBEHN Cn1cc([C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)C2(CO)CCC2)cn1 ZINC000595495605 491937336 /nfs/dbraw/zinc/93/73/36/491937336.db2.gz VQJGFZYQZMVOBU-MRXNPFEDSA-N 0 3 361.402 0.984 10 5 FCBEHN COc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604199600 492054463 /nfs/dbraw/zinc/05/44/63/492054463.db2.gz RGRZXAXYBRJWOT-LBPRGKRZSA-N 0 3 350.375 0.544 10 5 FCBEHN CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCN(C)C1 ZINC000597947200 492074609 /nfs/dbraw/zinc/07/46/09/492074609.db2.gz VKBGGSZFDMZAEX-NSHDSACASA-N 0 3 360.370 0.743 10 5 FCBEHN CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCN(C)C1 ZINC000597947199 492074801 /nfs/dbraw/zinc/07/48/01/492074801.db2.gz VKBGGSZFDMZAEX-LLVKDONJSA-N 0 3 360.370 0.743 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)n1 ZINC000597990303 492076873 /nfs/dbraw/zinc/07/68/73/492076873.db2.gz LDQKMPNPZDBWDF-AWEZNQCLSA-N 0 3 359.386 0.825 10 5 FCBEHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000597989992 492077009 /nfs/dbraw/zinc/07/70/09/492077009.db2.gz JBVQUMIGUAYUBD-CQSZACIVSA-N 0 3 359.386 0.825 10 5 FCBEHN CC[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598535873 492103572 /nfs/dbraw/zinc/10/35/72/492103572.db2.gz KJHYFCASZLWNSD-GXTWGEPZSA-N 0 3 363.418 0.993 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)n1 ZINC000599218648 492144522 /nfs/dbraw/zinc/14/45/22/492144522.db2.gz JXJIJTKBXQVPEL-UHFFFAOYSA-N 0 3 357.436 0.967 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](N3CCCC3)CC2)n1 ZINC000599237933 492147135 /nfs/dbraw/zinc/14/71/35/492147135.db2.gz HYJTVLMRJJSBAW-GFCCVEGCSA-N 0 3 357.436 0.967 10 5 FCBEHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](N3CCCC3)CC2)n1 ZINC000599237936 492147263 /nfs/dbraw/zinc/14/72/63/492147263.db2.gz HYJTVLMRJJSBAW-LBPRGKRZSA-N 0 3 357.436 0.967 10 5 FCBEHN CC1(N2CCOCC2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599622539 492194946 /nfs/dbraw/zinc/19/49/46/492194946.db2.gz LEEMHHYETZOCEC-OAHLLOKOSA-N 0 3 353.423 0.339 10 5 FCBEHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000599656395 492196907 /nfs/dbraw/zinc/19/69/07/492196907.db2.gz IPQDNJZBMAOFTB-GBJTYRQASA-N 0 3 352.391 0.816 10 5 FCBEHN COc1cc(CN2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])cc1F ZINC000593050562 546907953 /nfs/dbraw/zinc/90/79/53/546907953.db2.gz FTJWZSZQUQBRDH-UHFFFAOYSA-N 0 3 354.382 0.948 10 5 FCBEHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416498164 546915811 /nfs/dbraw/zinc/91/58/11/546915811.db2.gz WTHODUHHBRAYJK-JTQLQIEISA-N 0 3 357.388 0.611 10 5 FCBEHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183815 546945494 /nfs/dbraw/zinc/94/54/94/546945494.db2.gz FUSYSCMQCJMRGI-ZYHUDNBSSA-N 0 3 365.312 0.153 10 5 FCBEHN COc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592871538 546958722 /nfs/dbraw/zinc/95/87/22/546958722.db2.gz JJKRWVQJLUPXRR-LLVKDONJSA-N 0 3 350.375 0.795 10 5 FCBEHN CN(C)CCN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1=O ZINC000593486010 546968751 /nfs/dbraw/zinc/96/87/51/546968751.db2.gz GQYLFHMSRVBKKR-UHFFFAOYSA-N 0 3 372.223 0.963 10 5 FCBEHN CN(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000593534632 546971557 /nfs/dbraw/zinc/97/15/57/546971557.db2.gz NSYHZVPINBZYQG-UHFFFAOYSA-N 0 3 371.463 0.636 10 5 FCBEHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593622745 546984446 /nfs/dbraw/zinc/98/44/46/546984446.db2.gz UXJQPKIZBZNZPC-UHFFFAOYSA-N 0 3 370.431 0.298 10 5 FCBEHN CCN(CC)S(=O)(=O)c1ccc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000594698598 547003357 /nfs/dbraw/zinc/00/33/57/547003357.db2.gz NKRBWBWZOFROML-LBPRGKRZSA-N 0 3 373.431 0.993 10 5 FCBEHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000813108541 669827685 /nfs/dbraw/zinc/82/76/85/669827685.db2.gz HAURYIZRIBUHRG-QMMMGPOBSA-N 0 3 350.331 0.017 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844033499 670885170 /nfs/dbraw/zinc/88/51/70/670885170.db2.gz FFFWIKMWXGRJCM-FZMZJTMJSA-N 0 3 350.375 0.207 10 5 FCBEHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cs1 ZINC000851852677 671473887 /nfs/dbraw/zinc/47/38/87/671473887.db2.gz PPNPOLVWUBHSJZ-NSHDSACASA-N 0 3 361.445 0.876 10 5 FCBEHN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cs1 ZINC000851852675 671474012 /nfs/dbraw/zinc/47/40/12/671474012.db2.gz PPNPOLVWUBHSJZ-LLVKDONJSA-N 0 3 361.445 0.876 10 5 FCBEHN O=C(CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC001268540070 1187583464 /nfs/dbraw/zinc/58/34/64/1187583464.db2.gz BJERRVXTENVWHZ-WXVGIEASSA-N 0 3 368.340 0.831 10 5 FCBEHN CN(C)CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053102 1196605907 /nfs/dbraw/zinc/60/59/07/1196605907.db2.gz WZFXYNLFCSZDEM-UHFFFAOYSA-N 0 3 363.418 0.629 10 5 FCBEHN CN(C)CCN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593234813 1196764832 /nfs/dbraw/zinc/76/48/32/1196764832.db2.gz IGUMZYBOKAFQGI-UHFFFAOYSA-N 0 3 360.374 0.317 10 5 FCBEHN Cc1c(CNC(=O)N2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593399342 1196779458 /nfs/dbraw/zinc/77/94/58/1196779458.db2.gz YZFYVUZEYOUFBP-UHFFFAOYSA-N 0 3 363.418 0.819 10 5 FCBEHN CC(COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[N+](=O)[O-] ZINC000813113537 1202991213 /nfs/dbraw/zinc/99/12/13/1202991213.db2.gz RJPDOKJNBLGCQC-ZUZCIYMTSA-N 0 3 361.354 0.671 10 5 FCBEHN CN(C)CCN1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000844714127 1204429692 /nfs/dbraw/zinc/42/96/92/1204429692.db2.gz JQUAVPFNYHEGGJ-UHFFFAOYSA-N 0 3 373.417 0.517 10 5 FCBEHN Cc1ccc(NC(=O)CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001274017062 1210861498 /nfs/dbraw/zinc/86/14/98/1210861498.db2.gz QMWPWBUIXAZVIY-MZSZDEQASA-N 0 3 364.377 1.000 10 5 FCBEHN CN(C)CCN1C[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1=O ZINC000911476090 1245496564 /nfs/dbraw/zinc/49/65/64/1245496564.db2.gz MMTSDBAVNZLWJD-LLVKDONJSA-N 0 3 370.356 0.899 10 5 FCBEHN CN1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001472025538 1261426653 /nfs/dbraw/zinc/42/66/53/1261426653.db2.gz DSPOSKKEZKGOGL-CQSZACIVSA-N 0 3 362.386 0.777 10 5 FCBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001472258440 1261454989 /nfs/dbraw/zinc/45/49/89/1261454989.db2.gz GJOXIHNWCCZUDT-ZIAGYGMSSA-N 0 3 351.407 0.547 10 5 FCBEHN Cn1c(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)nnc1C1CCC1 ZINC001484634579 1263481063 /nfs/dbraw/zinc/48/10/63/1263481063.db2.gz NRIGZEYJYQVGPU-CHWSQXEVSA-N 0 3 362.434 0.876 10 5 FCBEHN Cc1n[nH]c(C)c1NC(=O)CN(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001484741851 1263484827 /nfs/dbraw/zinc/48/48/27/1263484827.db2.gz GSMDDWFEVFJFDI-CHWSQXEVSA-N 0 3 366.422 0.411 10 5 FCBEHN Cc1noc(CNCCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)n1 ZINC001317366000 1263509018 /nfs/dbraw/zinc/50/90/18/1263509018.db2.gz HIMBZIDPOUZTDR-HUUCEWRRSA-N 0 3 359.386 0.992 10 5 FCBEHN CC(C)(C)n1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)nn1 ZINC001501950944 1264157390 /nfs/dbraw/zinc/15/73/90/1264157390.db2.gz SAIIJFYPZAAOGH-CHWSQXEVSA-N 0 3 350.423 0.827 10 5 FCBEHN Cc1nccn1CCCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001523179914 1266612069 /nfs/dbraw/zinc/61/20/69/1266612069.db2.gz JHYNBVMLNQPKTQ-HUUCEWRRSA-N 0 3 363.418 0.698 10 5 FCBEHN CCN1CCN(CCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001543829653 1267562175 /nfs/dbraw/zinc/56/21/75/1267562175.db2.gz WMDXZZLUIWWWQZ-MRXNPFEDSA-N 0 3 350.419 0.772 10 5 FCBEHN CN1CC[C@@](O)(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC001567317512 1269687647 /nfs/dbraw/zinc/68/76/47/1269687647.db2.gz OYYHSYLIOXOTIL-QGZVFWFLSA-N 0 3 359.386 0.636 10 5 FCBEHN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(CC(=O)N(C)C2CC2)CC1 ZINC001713099099 1287264901 /nfs/dbraw/zinc/26/49/01/1287264901.db2.gz CWPWVZLQBDSQPQ-HZPDHXFCSA-N 0 3 366.462 0.975 10 5 FCBEHN COCC[NH+](CCOC)C1CN(C(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC001583373815 1282085490 /nfs/dbraw/zinc/08/54/90/1282085490.db2.gz REKZLBXXIGEDDO-UHFFFAOYSA-N 0 3 369.422 0.861 10 5 FCBEHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)C1=CCN(C)CC1 ZINC001611445614 1289649697 /nfs/dbraw/zinc/64/96/97/1289649697.db2.gz OEVGZAYXUCICAI-LLVKDONJSA-N 0 3 357.374 0.951 10 5 FCBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)[C@@H]1CCCOC1 ZINC001618530009 1289917640 /nfs/dbraw/zinc/91/76/40/1289917640.db2.gz UULIOGHOBHJJMZ-RISCZKNCSA-N 0 3 353.375 0.919 10 5 FCBEHN COc1cccc2c1CC[C@]2(CO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538240 1289998401 /nfs/dbraw/zinc/99/84/01/1289998401.db2.gz RXZLPSCEVANOAH-CXAGYDPISA-N 0 3 362.386 0.584 10 5 FCBEHN CC(C)(C(=O)NC[C@@H]1CCN1C1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC001626697351 1290410128 /nfs/dbraw/zinc/41/01/28/1290410128.db2.gz KZDXXHGGYKTMEM-ZDUSSCGKSA-N 0 3 351.407 0.896 10 5 FCBEHN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001628120761 1290507595 /nfs/dbraw/zinc/50/75/95/1290507595.db2.gz HOIFJMNRWHDAHN-DOTOQJQBSA-N 0 3 371.397 0.731 10 5 FCBEHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001651165206 1291199743 /nfs/dbraw/zinc/19/97/43/1291199743.db2.gz RZYAINDHXRLQPY-SMDDNHRTSA-N 0 3 350.331 0.784 10 5 FCBEHN NS(=O)(=O)c1cccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001651494967 1291224990 /nfs/dbraw/zinc/22/49/90/1291224990.db2.gz HJVZEVACPZSGAT-NEPJUHHUSA-N 0 3 370.431 0.278 10 5 FCBEHN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC001171511612 850687248 /nfs/dbraw/zinc/68/72/48/850687248.db2.gz XOSVUMSTJAGLSR-UHFFFAOYSA-N 0 3 373.431 0.346 10 5 FCBEHN CCN1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001299017412 866142724 /nfs/dbraw/zinc/14/27/24/866142724.db2.gz JECWSBLXIHVLEO-LLVKDONJSA-N 0 3 370.431 0.799 10 5 FCBEHN COC(=O)C1CCN(CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001324841564 869689995 /nfs/dbraw/zinc/68/99/95/869689995.db2.gz NFEMYVXIEWDKQB-UHFFFAOYSA-N 0 3 353.379 0.333 10 5 FCBEHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295457673 214299027 /nfs/dbraw/zinc/29/90/27/214299027.db2.gz PZAKXDDPSILMOZ-ZQIUZPCESA-N 0 3 351.403 0.739 10 5 FCBEHN C[N@@H+]1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000443087392 248306336 /nfs/dbraw/zinc/30/63/36/248306336.db2.gz PQJKBCAGSUYGJF-UHFFFAOYSA-N 0 3 362.477 0.961 10 5 FCBEHN C[N@H+]1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000443087392 248306339 /nfs/dbraw/zinc/30/63/39/248306339.db2.gz PQJKBCAGSUYGJF-UHFFFAOYSA-N 0 3 362.477 0.961 10 5 FCBEHN COc1cc(OCC(=O)NC[C@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000452390205 249316399 /nfs/dbraw/zinc/31/63/99/249316399.db2.gz NUIBFQPFLNVUNY-CYBMUJFWSA-N 0 3 367.402 0.945 10 5 FCBEHN Cc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000116790712 208332863 /nfs/dbraw/zinc/33/28/63/208332863.db2.gz QNLYOKACYXDSNP-HNNXBMFYSA-N 0 3 374.401 0.887 10 5 FCBEHN O=C1NC(=O)[C@]2(CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003651 488909766 /nfs/dbraw/zinc/90/97/66/488909766.db2.gz DCNFRXCARYJBHW-BDJLRTHQSA-N 0 3 364.358 0.009 10 5 FCBEHN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NC1CCN(C2CC2)CC1 ZINC000054910978 488232570 /nfs/dbraw/zinc/23/25/70/488232570.db2.gz YSBIGNCTDGOVNV-UHFFFAOYSA-N 0 3 372.381 0.934 10 5 FCBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000195341559 488437052 /nfs/dbraw/zinc/43/70/52/488437052.db2.gz FJWGJNDFYWGZBK-UHFFFAOYSA-N 0 3 363.418 0.828 10 5 FCBEHN Cn1cc(CN2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000246849905 488476689 /nfs/dbraw/zinc/47/66/89/488476689.db2.gz ZTMNFTCHZLDKDK-MRXNPFEDSA-N 0 3 363.422 0.094 10 5 FCBEHN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794536 488593446 /nfs/dbraw/zinc/59/34/46/488593446.db2.gz STSDOAJZGFOUPY-VHSXEESVSA-N 0 3 357.388 0.642 10 5 FCBEHN O=C(C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 ZINC000173496529 488843127 /nfs/dbraw/zinc/84/31/27/488843127.db2.gz CPRMRXDFDLPFGK-MRXNPFEDSA-N 0 3 365.434 0.877 10 5 FCBEHN CN(C)C[C@@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000524318723 490531361 /nfs/dbraw/zinc/53/13/61/490531361.db2.gz DHIUVAVTXQSPRU-ZDUSSCGKSA-N 0 3 362.386 0.873 10 5 FCBEHN C[C@@H](CN(C)C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000561766564 491629665 /nfs/dbraw/zinc/62/96/65/491629665.db2.gz OGDIOTFXELQUTC-NSHDSACASA-N 0 3 358.420 0.330 10 5 FCBEHN CN1C[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590445056 491777216 /nfs/dbraw/zinc/77/72/16/491777216.db2.gz PXDQOUJUXODDOP-PWSUYJOCSA-N 0 3 354.388 0.018 10 5 FCBEHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590564999 491779394 /nfs/dbraw/zinc/77/93/94/491779394.db2.gz IJUUUKQOZGPDOK-KBPBESRZSA-N 0 3 350.375 0.078 10 5 FCBEHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592082181 491831025 /nfs/dbraw/zinc/83/10/25/491831025.db2.gz GMPHMTFUPFJJGC-LBPRGKRZSA-N 0 3 370.431 0.644 10 5 FCBEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592309626 491835993 /nfs/dbraw/zinc/83/59/93/491835993.db2.gz SLIAJTJFJSSWNS-NSHDSACASA-N 0 3 363.374 0.112 10 5 FCBEHN COc1cc(CNC[C@@]2(OCCO)CCOC2)c([N+](=O)[O-])cc1OC ZINC000594973543 491873933 /nfs/dbraw/zinc/87/39/33/491873933.db2.gz FNSNGJIJDWEMPZ-INIZCTEOSA-N 0 3 356.375 0.870 10 5 FCBEHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(N3CC[NH2+]CC3)CC2)nc1 ZINC000595109328 491884321 /nfs/dbraw/zinc/88/43/21/491884321.db2.gz ASSGCNYOLWRSIU-UHFFFAOYSA-N 0 3 369.447 0.485 10 5 FCBEHN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC000595384357 491926488 /nfs/dbraw/zinc/92/64/88/491926488.db2.gz JLYAJLGNUAKQCM-INIZCTEOSA-N 0 3 369.443 0.956 10 5 FCBEHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595660840 491947092 /nfs/dbraw/zinc/94/70/92/491947092.db2.gz GMAQWQCMEPJYQE-SWLSCSKDSA-N 0 3 367.358 0.852 10 5 FCBEHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000595986709 491969142 /nfs/dbraw/zinc/96/91/42/491969142.db2.gz RREVZNCWFDYWJJ-LLVKDONJSA-N 0 3 374.405 0.470 10 5 FCBEHN CN1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596165452 491978157 /nfs/dbraw/zinc/97/81/57/491978157.db2.gz KYWVOCJQQJDJKR-VIFPVBQESA-N 0 3 363.403 0.783 10 5 FCBEHN C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106558 492135885 /nfs/dbraw/zinc/13/58/85/492135885.db2.gz VKHSXAAQJZQWTA-ZJUUUORDSA-N 0 3 357.388 0.785 10 5 FCBEHN CN(C)CCOC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599240786 492147574 /nfs/dbraw/zinc/14/75/74/492147574.db2.gz BEJNFMRCESGPTO-UHFFFAOYSA-N 0 3 361.424 0.060 10 5 FCBEHN Cc1nn(CCC(=O)N2CCC[C@@](O)(CN(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000618924484 492243599 /nfs/dbraw/zinc/24/35/99/492243599.db2.gz YOADNJPOAHDWJT-MRXNPFEDSA-N 0 3 353.423 0.713 10 5 FCBEHN COC(=O)c1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc([N+](=O)[O-])c1 ZINC000618924076 492243651 /nfs/dbraw/zinc/24/36/51/492243651.db2.gz PUXNRDXJZFVFJP-QGZVFWFLSA-N 0 3 365.386 0.910 10 5 FCBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592083947 546944545 /nfs/dbraw/zinc/94/45/45/546944545.db2.gz XJPRCIVWTHFGQH-GFCCVEGCSA-N 0 3 370.431 0.476 10 5 FCBEHN COc1ccc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000592879327 546959561 /nfs/dbraw/zinc/95/95/61/546959561.db2.gz KWQVDUNDDBDWNF-NSHDSACASA-N 0 3 350.375 0.795 10 5 FCBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592877898 546959857 /nfs/dbraw/zinc/95/98/57/546959857.db2.gz APZYEQLQCZGMQR-NSHDSACASA-N 0 3 350.375 0.795 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593623320 546984777 /nfs/dbraw/zinc/98/47/77/546984777.db2.gz ZTEQHGGBHVZNOJ-UHFFFAOYSA-N 0 3 374.394 0.128 10 5 FCBEHN CCCc1n[nH]c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593783676 546991808 /nfs/dbraw/zinc/99/18/08/546991808.db2.gz BXZNLJGZOLBFDM-UHFFFAOYSA-N 0 3 352.395 0.116 10 5 FCBEHN CCCc1[nH]nc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593783676 546991811 /nfs/dbraw/zinc/99/18/11/546991811.db2.gz BXZNLJGZOLBFDM-UHFFFAOYSA-N 0 3 352.395 0.116 10 5 FCBEHN CN(CCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000594755461 547005127 /nfs/dbraw/zinc/00/51/27/547005127.db2.gz MKZCMOKAHGSLCF-UHFFFAOYSA-N 0 3 371.463 0.636 10 5 FCBEHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697314 547352572 /nfs/dbraw/zinc/35/25/72/547352572.db2.gz TZKLSEPBYAVBII-FZMZJTMJSA-N 0 3 368.415 0.907 10 5 FCBEHN CN(C)CCN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000845968530 671058958 /nfs/dbraw/zinc/05/89/58/671058958.db2.gz JEAMTASUPMVMQJ-UHFFFAOYSA-N 0 3 362.433 0.051 10 5 FCBEHN O=C(CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC001268540055 1187583225 /nfs/dbraw/zinc/58/32/25/1187583225.db2.gz BJERRVXTENVWHZ-LEINQQNWSA-N 0 3 368.340 0.831 10 5 FCBEHN CN(C)CCN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1=O ZINC000593050866 1196605957 /nfs/dbraw/zinc/60/59/57/1196605957.db2.gz HIXUYKPLSKAKIN-UHFFFAOYSA-N 0 3 374.401 0.851 10 5 FCBEHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001132907583 1202970416 /nfs/dbraw/zinc/97/04/16/1202970416.db2.gz QUUWSZDUHUIVTJ-UHFFFAOYSA-N 0 3 363.418 0.879 10 5 FCBEHN CC(COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[N+](=O)[O-] ZINC000813113535 1202991006 /nfs/dbraw/zinc/99/10/06/1202991006.db2.gz RJPDOKJNBLGCQC-MEBBXXQBSA-N 0 3 361.354 0.671 10 5 FCBEHN COc1cc(OCC(=O)N(CCO)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001143821925 1203338178 /nfs/dbraw/zinc/33/81/78/1203338178.db2.gz IOJUOWBDHPCMIT-UHFFFAOYSA-N 0 3 367.402 0.897 10 5 FCBEHN Cc1nn(CN2CCN(CCN(C)C)C(=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000844713443 1204428924 /nfs/dbraw/zinc/42/89/24/1204428924.db2.gz BZJTWWFNNLHFGT-UHFFFAOYSA-N 0 3 361.406 0.311 10 5 FCBEHN CN(CC1CN(C)C1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555956 1209598842 /nfs/dbraw/zinc/59/88/42/1209598842.db2.gz TXSHRFVZOBCQPB-KRWDZBQOSA-N 0 3 361.402 0.813 10 5 FCBEHN Cc1ccc(NC(=O)CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001274017061 1210861542 /nfs/dbraw/zinc/86/15/42/1210861542.db2.gz QMWPWBUIXAZVIY-KXAWDHGWSA-N 0 3 364.377 1.000 10 5 FCBEHN O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@@H]1CC1[N+](=O)[O-] ZINC000839717692 1222754910 /nfs/dbraw/zinc/75/49/10/1222754910.db2.gz JUDGSXRPZPVOIE-CAOSSQGBSA-N 0 3 358.398 0.367 10 5 FCBEHN Cc1nccn1CCCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501147030 1264104963 /nfs/dbraw/zinc/10/49/63/1264104963.db2.gz YTCAPQSMJAQDQL-ZIAGYGMSSA-N 0 3 351.407 0.554 10 5 FCBEHN O=C(Cc1n[nH]c2c1CCCC2)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506048935 1264285923 /nfs/dbraw/zinc/28/59/23/1264285923.db2.gz HMSDSCGNQFEGNG-BXUZGUMPSA-N 0 3 361.402 0.261 10 5 FCBEHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420503 1265313282 /nfs/dbraw/zinc/31/32/82/1265313282.db2.gz CAOUTCBOMYKKKM-LSDHHAIUSA-N 0 3 361.406 0.377 10 5 FCBEHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC001556106042 1268814734 /nfs/dbraw/zinc/81/47/34/1268814734.db2.gz CCTOSAJKSOEQPQ-OAHLLOKOSA-N 0 3 354.338 0.489 10 5 FCBEHN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]12CCN(C1)CCC2 ZINC001556137391 1268818404 /nfs/dbraw/zinc/81/84/04/1268818404.db2.gz PMIDUAOORCGGMQ-INIZCTEOSA-N 0 3 367.427 0.971 10 5 FCBEHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001565566702 1269478517 /nfs/dbraw/zinc/47/85/17/1269478517.db2.gz CVQQRUZBUMTZOD-UHFFFAOYSA-N 0 3 361.402 0.557 10 5 FCBEHN Cc1nccn1CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001579173217 1276929611 /nfs/dbraw/zinc/92/96/11/1276929611.db2.gz GSGQAQNYFRNNKM-SSZWKKLZSA-N 0 3 361.402 0.210 10 5 FCBEHN CN(CCNC(=O)c1cc(CN2CCCC2)on1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581009146 1279234331 /nfs/dbraw/zinc/23/43/31/1279234331.db2.gz HOSHRCGMPNINFH-TZMCWYRMSA-N 0 3 365.390 0.124 10 5 FCBEHN CCCn1nnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001715300601 1287348576 /nfs/dbraw/zinc/34/85/76/1287348576.db2.gz SIKUTGMJNJCIKN-VXGBXAGGSA-N 0 3 351.411 0.267 10 5 FCBEHN Cc1nnc(CN(C)CCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001715468773 1287352140 /nfs/dbraw/zinc/35/21/40/1287352140.db2.gz BQUBIADKDOBUAU-ZIAGYGMSSA-N 0 3 350.423 0.839 10 5 FCBEHN O=C(CCc1nnc[nH]1)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001704729592 1286290568 /nfs/dbraw/zinc/29/05/68/1286290568.db2.gz HHMDAEBPAXZNPQ-CHWSQXEVSA-N 0 3 364.406 0.147 10 5 FCBEHN CCN1CCN(CCNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001616218689 1289770261 /nfs/dbraw/zinc/77/02/61/1289770261.db2.gz SECIFLZSINYGHY-UHFFFAOYSA-N 0 3 373.417 0.543 10 5 FCBEHN COc1c(C)[nH]cc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC001620471179 1289990357 /nfs/dbraw/zinc/99/03/57/1289990357.db2.gz IOXMIYWKDZJPTH-ZDUSSCGKSA-N 0 3 351.363 0.290 10 5 FCBEHN CCCN(C)CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001627402126 1290460411 /nfs/dbraw/zinc/46/04/11/1290460411.db2.gz IPIYFFPKFOEHKQ-UHFFFAOYSA-N 0 3 372.447 0.673 10 5 FCBEHN CN1CCCC[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001685621188 1292574909 /nfs/dbraw/zinc/57/49/09/1292574909.db2.gz GBDNJPUZUDPFHW-BZUAXINKSA-N 0 3 366.418 0.773 10 5 FCBEHN