smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000769893604 1078646555 /nfs/dbraw/zinc/64/65/55/1078646555.db2.gz SOHRQHHNTHHWCF-BETUJISGSA-N 1 2 405.904 2.334 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000769893604 1078646558 /nfs/dbraw/zinc/64/65/58/1078646558.db2.gz SOHRQHHNTHHWCF-BETUJISGSA-N 1 2 405.904 2.334 20 5 HEBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745992135 1078723699 /nfs/dbraw/zinc/72/36/99/1078723699.db2.gz WOSIYLLFBIFGJC-LBPRGKRZSA-N 1 2 422.438 2.203 20 5 HEBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745992135 1078723706 /nfs/dbraw/zinc/72/37/06/1078723706.db2.gz WOSIYLLFBIFGJC-LBPRGKRZSA-N 1 2 422.438 2.203 20 5 HEBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000770327218 1078829787 /nfs/dbraw/zinc/82/97/87/1078829787.db2.gz WUWUAGFMQWGYAI-UHFFFAOYSA-N 1 2 406.302 2.213 20 5 HEBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000770327218 1078829790 /nfs/dbraw/zinc/82/97/90/1078829790.db2.gz WUWUAGFMQWGYAI-UHFFFAOYSA-N 1 2 406.302 2.213 20 5 HEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000746320436 1078857734 /nfs/dbraw/zinc/85/77/34/1078857734.db2.gz PLHWNAYHAQDQIR-UHFFFAOYSA-N 1 2 418.828 2.166 20 5 HEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000746320436 1078857736 /nfs/dbraw/zinc/85/77/36/1078857736.db2.gz PLHWNAYHAQDQIR-UHFFFAOYSA-N 1 2 418.828 2.166 20 5 HEBDLO COCCOc1cnc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cn1 ZINC000770919282 1079080817 /nfs/dbraw/zinc/08/08/17/1079080817.db2.gz PWYIRSQJMSAHNR-UHFFFAOYSA-N 1 2 409.362 2.313 20 5 HEBDLO COC(=O)[C@@H]1C[C@@H](Nc2nnc(-c3ccccc3[N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC001169131006 1079151591 /nfs/dbraw/zinc/15/15/91/1079151591.db2.gz RRELOFLYDYXQOH-RNCFNFMXSA-N 1 2 411.340 2.386 20 5 HEBDLO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C2)c1 ZINC001169148970 1079165941 /nfs/dbraw/zinc/16/59/41/1079165941.db2.gz HFEJESBTFHMDPJ-QGZVFWFLSA-N 1 2 417.487 2.311 20 5 HEBDLO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C2)c1 ZINC001169148970 1079165943 /nfs/dbraw/zinc/16/59/43/1079165943.db2.gz HFEJESBTFHMDPJ-QGZVFWFLSA-N 1 2 417.487 2.311 20 5 HEBDLO COc1ncc([N+](=O)[O-])c(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169512239 1079318469 /nfs/dbraw/zinc/31/84/69/1079318469.db2.gz LJEMVTVXFRYVDV-HOCLYGCPSA-N 1 2 401.423 2.265 20 5 HEBDLO CN(CC(=O)N[C@H]1CCc2c[nH+]cn2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000804331473 1079343174 /nfs/dbraw/zinc/34/31/74/1079343174.db2.gz AMUWZACRSNWZFS-LBPRGKRZSA-N 1 2 408.256 2.121 20 5 HEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771562318 1079385772 /nfs/dbraw/zinc/38/57/72/1079385772.db2.gz PXZLSHYEPPTELR-LLVKDONJSA-N 1 2 402.220 2.043 20 5 HEBDLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389698 1076497066 /nfs/dbraw/zinc/49/70/66/1076497066.db2.gz XENBPCTWCCKAIG-KXBFYZLASA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389698 1076497071 /nfs/dbraw/zinc/49/70/71/1076497071.db2.gz XENBPCTWCCKAIG-KXBFYZLASA-N 1 2 413.430 2.366 20 5 HEBDLO Cc1nsc(N2CCC[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000743385814 1077038933 /nfs/dbraw/zinc/03/89/33/1077038933.db2.gz PCQVJGNMJIQMLE-UHFFFAOYSA-N 1 2 400.468 2.183 20 5 HEBDLO Cc1nsc(N2CCC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000743385814 1077038937 /nfs/dbraw/zinc/03/89/37/1077038937.db2.gz PCQVJGNMJIQMLE-UHFFFAOYSA-N 1 2 400.468 2.183 20 5 HEBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000743944667 1077238227 /nfs/dbraw/zinc/23/82/27/1077238227.db2.gz KRLYIDGPQPFIQO-UHFFFAOYSA-N 1 2 411.462 2.385 20 5 HEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000767849849 1080170291 /nfs/dbraw/zinc/17/02/91/1080170291.db2.gz LCIIGTFXYQYDOC-UHFFFAOYSA-N 1 2 403.258 2.265 20 5 HEBDLO CCOC(=O)N1CCC(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000768543764 1080645777 /nfs/dbraw/zinc/64/57/77/1080645777.db2.gz IKHRWIGBRALNSY-UHFFFAOYSA-N 1 2 404.467 2.296 20 5 HEBDLO CCOC(=O)N1CCC(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000768543764 1080645783 /nfs/dbraw/zinc/64/57/83/1080645783.db2.gz IKHRWIGBRALNSY-UHFFFAOYSA-N 1 2 404.467 2.296 20 5 HEBDLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)oc1C ZINC000768836791 1080818192 /nfs/dbraw/zinc/81/81/92/1080818192.db2.gz YNNOVVJJMHFOJQ-UHFFFAOYSA-N 1 2 414.509 2.452 20 5 HEBDLO CCOC(=O)c1ccnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165011993 721719300 /nfs/dbraw/zinc/71/93/00/721719300.db2.gz XQEBJBLLVUFTKS-UHFFFAOYSA-N 1 2 417.470 2.009 20 5 HEBDLO CCOC(=O)c1ccnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165011993 721719309 /nfs/dbraw/zinc/71/93/09/721719309.db2.gz XQEBJBLLVUFTKS-UHFFFAOYSA-N 1 2 417.470 2.009 20 5 HEBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914854 721785511 /nfs/dbraw/zinc/78/55/11/721785511.db2.gz GKLVIYIWXFWNJS-NRFANRHFSA-N 1 2 413.478 2.109 20 5 HEBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914854 721785515 /nfs/dbraw/zinc/78/55/15/721785515.db2.gz GKLVIYIWXFWNJS-NRFANRHFSA-N 1 2 413.478 2.109 20 5 HEBDLO COC(=O)c1nc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001165045337 721954136 /nfs/dbraw/zinc/95/41/36/721954136.db2.gz SGSRFMRBKQHWAT-UHFFFAOYSA-N 1 2 421.841 2.026 20 5 HEBDLO Cc1cn(C[N@@H+]2CCSC3(CCOCC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000769773857 1078550549 /nfs/dbraw/zinc/55/05/49/1078550549.db2.gz CTOBFSPGKHBBEO-UHFFFAOYSA-N 1 2 404.492 2.411 20 5 HEBDLO Cc1cn(C[N@H+]2CCSC3(CCOCC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000769773857 1078550554 /nfs/dbraw/zinc/55/05/54/1078550554.db2.gz CTOBFSPGKHBBEO-UHFFFAOYSA-N 1 2 404.492 2.411 20 5 HEBDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)c1 ZINC000766421582 1078972361 /nfs/dbraw/zinc/97/23/61/1078972361.db2.gz ODOWZZJUQXYKKJ-UHFFFAOYSA-N 1 2 414.462 2.331 20 5 HEBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746323249 1079147760 /nfs/dbraw/zinc/14/77/60/1079147760.db2.gz HXNABDAOHBXDBX-ZDUSSCGKSA-N 1 2 402.446 2.015 20 5 HEBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746323249 1079147766 /nfs/dbraw/zinc/14/77/66/1079147766.db2.gz HXNABDAOHBXDBX-ZDUSSCGKSA-N 1 2 402.446 2.015 20 5 HEBDLO COc1ncc([N+](=O)[O-])c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169512237 1079318397 /nfs/dbraw/zinc/31/83/97/1079318397.db2.gz LJEMVTVXFRYVDV-GDBMZVCRSA-N 1 2 401.423 2.265 20 5 HEBDLO CN(CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000804331472 1079343238 /nfs/dbraw/zinc/34/32/38/1079343238.db2.gz AMUWZACRSNWZFS-GFCCVEGCSA-N 1 2 408.256 2.121 20 5 HEBDLO COc1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c([N+](=O)[O-])cc1OC ZINC001169666560 1079361643 /nfs/dbraw/zinc/36/16/43/1079361643.db2.gz OWQCVBBNPVNHRE-UHFFFAOYSA-N 1 2 400.435 2.008 20 5 HEBDLO CCOC(=O)c1ccc(N2CCC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)nc1 ZINC000738109529 1075964764 /nfs/dbraw/zinc/96/47/64/1075964764.db2.gz CVFFKAYFAGBBSJ-UHFFFAOYSA-N 1 2 402.455 2.150 20 5 HEBDLO CCOC(=O)c1ccc(N2CCC[N@@H+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)nc1 ZINC000738109529 1075964767 /nfs/dbraw/zinc/96/47/67/1075964767.db2.gz CVFFKAYFAGBBSJ-UHFFFAOYSA-N 1 2 402.455 2.150 20 5 HEBDLO Cc1cc(S(=O)(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc([N+](=O)[O-])c1F ZINC000771779838 1079502396 /nfs/dbraw/zinc/50/23/96/1079502396.db2.gz HAEAXWFJAFQDIA-CQSZACIVSA-N 1 2 415.487 2.354 20 5 HEBDLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000742150233 1076766992 /nfs/dbraw/zinc/76/69/92/1076766992.db2.gz SBBHUVISIZNRSH-CQSZACIVSA-N 1 2 411.414 2.460 20 5 HEBDLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000742150233 1076766997 /nfs/dbraw/zinc/76/69/97/1076766997.db2.gz SBBHUVISIZNRSH-CQSZACIVSA-N 1 2 411.414 2.460 20 5 HEBDLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000742317493 1076828806 /nfs/dbraw/zinc/82/88/06/1076828806.db2.gz JQPJPICCVPVATD-UHFFFAOYSA-N 1 2 405.480 2.003 20 5 HEBDLO CCC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000771784896 1079505375 /nfs/dbraw/zinc/50/53/75/1079505375.db2.gz SAMIVRNKSQVXGJ-AWEZNQCLSA-N 1 2 403.476 2.164 20 5 HEBDLO CCC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000771784896 1079505383 /nfs/dbraw/zinc/50/53/83/1079505383.db2.gz SAMIVRNKSQVXGJ-AWEZNQCLSA-N 1 2 403.476 2.164 20 5 HEBDLO COc1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1[N+](=O)[O-] ZINC000767742514 1080060806 /nfs/dbraw/zinc/06/08/06/1080060806.db2.gz BLHIXYCZUHVRJR-UHFFFAOYSA-N 1 2 420.491 2.297 20 5 HEBDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768842661 1080821426 /nfs/dbraw/zinc/82/14/26/1080821426.db2.gz OCRVYSPGPAWMKT-CQSZACIVSA-N 1 2 410.521 2.145 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786994697 1080903716 /nfs/dbraw/zinc/90/37/16/1080903716.db2.gz BDUWNRUYSBRMJP-LPHOPBHVSA-N 1 2 419.478 2.221 20 5 HEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001164697218 719848930 /nfs/dbraw/zinc/84/89/30/719848930.db2.gz BRMYUJIARLZWHI-ACJLOTCBSA-N 1 2 412.874 2.184 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164702108 719849342 /nfs/dbraw/zinc/84/93/42/719849342.db2.gz NYIXIHNSYCPHLG-LAUBAEHRSA-N 1 2 414.462 2.376 20 5 HEBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC000746429194 1078938568 /nfs/dbraw/zinc/93/85/68/1078938568.db2.gz BFIXDHOKMANEIA-UHFFFAOYSA-N 1 2 405.436 2.079 20 5 HEBDLO CC(C)OCCCNC(=O)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000771151841 1079163380 /nfs/dbraw/zinc/16/33/80/1079163380.db2.gz BONAPVTXOSMNHT-UHFFFAOYSA-N 1 2 414.422 2.304 20 5 HEBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCN1c1nccn2cnnc12 ZINC000771175734 1079209720 /nfs/dbraw/zinc/20/97/20/1079209720.db2.gz TZFAMDLKOBKUIK-OAHLLOKOSA-N 1 2 419.449 2.064 20 5 HEBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCN1c1nccn2cnnc12 ZINC000771175734 1079209724 /nfs/dbraw/zinc/20/97/24/1079209724.db2.gz TZFAMDLKOBKUIK-OAHLLOKOSA-N 1 2 419.449 2.064 20 5 HEBDLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000738329143 1075981541 /nfs/dbraw/zinc/98/15/41/1075981541.db2.gz LRQJMZRIKNDICR-UHFFFAOYSA-N 1 2 421.498 2.018 20 5 HEBDLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000738329143 1075981548 /nfs/dbraw/zinc/98/15/48/1075981548.db2.gz LRQJMZRIKNDICR-UHFFFAOYSA-N 1 2 421.498 2.018 20 5 HEBDLO CCOC1CC(CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)([NH+]2CCOCC2)C1 ZINC000767176517 1079710570 /nfs/dbraw/zinc/71/05/70/1079710570.db2.gz YPNSBYSSXQBISV-FOWTUZBSSA-N 1 2 403.479 2.384 20 5 HEBDLO Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000772571788 1079973160 /nfs/dbraw/zinc/97/31/60/1079973160.db2.gz LMZSSCNRXNGYFE-GOSISDBHSA-N 1 2 410.434 2.100 20 5 HEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000772597078 1080001117 /nfs/dbraw/zinc/00/11/17/1080001117.db2.gz BBFWCZQIYOWZEE-NSHDSACASA-N 1 2 406.302 2.119 20 5 HEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000772597078 1080001126 /nfs/dbraw/zinc/00/11/26/1080001126.db2.gz BBFWCZQIYOWZEE-NSHDSACASA-N 1 2 406.302 2.119 20 5 HEBDLO COCCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000768204278 1080395124 /nfs/dbraw/zinc/39/51/24/1080395124.db2.gz WFFPWSQYUHILFC-CYBMUJFWSA-N 1 2 421.313 2.383 20 5 HEBDLO COCCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000768204278 1080395131 /nfs/dbraw/zinc/39/51/31/1080395131.db2.gz WFFPWSQYUHILFC-CYBMUJFWSA-N 1 2 421.313 2.383 20 5 HEBDLO CN(CC[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)OC(C)(C)C ZINC000768460613 1080582296 /nfs/dbraw/zinc/58/22/96/1080582296.db2.gz LMUCQRYOPMBGSJ-UHFFFAOYSA-N 1 2 421.454 2.120 20 5 HEBDLO CN(CC[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)OC(C)(C)C ZINC000768460613 1080582302 /nfs/dbraw/zinc/58/23/02/1080582302.db2.gz LMUCQRYOPMBGSJ-UHFFFAOYSA-N 1 2 421.454 2.120 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000769908355 1078629584 /nfs/dbraw/zinc/62/95/84/1078629584.db2.gz VTVZURUQKKAUGK-UHFFFAOYSA-N 1 2 403.888 2.042 20 5 HEBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCN1c1nccn2cnnc12 ZINC000771175733 1079209685 /nfs/dbraw/zinc/20/96/85/1079209685.db2.gz TZFAMDLKOBKUIK-HNNXBMFYSA-N 1 2 419.449 2.064 20 5 HEBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCN1c1nccn2cnnc12 ZINC000771175733 1079209691 /nfs/dbraw/zinc/20/96/91/1079209691.db2.gz TZFAMDLKOBKUIK-HNNXBMFYSA-N 1 2 419.449 2.064 20 5 HEBDLO CC(C)OCCCNC(=O)C1CC[NH+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738075121 1075958635 /nfs/dbraw/zinc/95/86/35/1075958635.db2.gz FALZEMAOPWPUJR-UHFFFAOYSA-N 1 2 420.466 2.104 20 5 HEBDLO CC1(C)CN=C(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)S1 ZINC000740716515 1076216274 /nfs/dbraw/zinc/21/62/74/1076216274.db2.gz FHEXMYNXODQZCZ-UHFFFAOYSA-N 1 2 414.491 2.420 20 5 HEBDLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000742150229 1076767029 /nfs/dbraw/zinc/76/70/29/1076767029.db2.gz SBBHUVISIZNRSH-AWEZNQCLSA-N 1 2 411.414 2.460 20 5 HEBDLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000742150229 1076767034 /nfs/dbraw/zinc/76/70/34/1076767034.db2.gz SBBHUVISIZNRSH-AWEZNQCLSA-N 1 2 411.414 2.460 20 5 HEBDLO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000771783446 1079503819 /nfs/dbraw/zinc/50/38/19/1079503819.db2.gz BLCOHBHUMLJPRA-NSHDSACASA-N 1 2 424.841 2.359 20 5 HEBDLO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000771784919 1079505508 /nfs/dbraw/zinc/50/55/08/1079505508.db2.gz LANDRHCPVRCIIP-LLVKDONJSA-N 1 2 424.841 2.359 20 5 HEBDLO C[C@H](CONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000767159330 1079720676 /nfs/dbraw/zinc/72/06/76/1079720676.db2.gz HQSJIMOBXJNAEI-GFCCVEGCSA-N 1 2 405.411 2.355 20 5 HEBDLO CN(C)c1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)cc[nH+]1 ZINC000767416739 1079853843 /nfs/dbraw/zinc/85/38/43/1079853843.db2.gz APLOKCSEQUOBNR-UHFFFAOYSA-N 1 2 415.435 2.088 20 5 HEBDLO CCOC1CC(CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000767431369 1079860432 /nfs/dbraw/zinc/86/04/32/1079860432.db2.gz NVTOKXJQTUDNFS-ALCCZGGFSA-N 1 2 419.478 2.463 20 5 HEBDLO CN(C)c1cc(COC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc[nH+]1 ZINC000767472393 1079872409 /nfs/dbraw/zinc/87/24/09/1079872409.db2.gz FOWHBBJLFDAOTP-CYBMUJFWSA-N 1 2 402.382 2.291 20 5 HEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000804355622 1079890978 /nfs/dbraw/zinc/89/09/78/1079890978.db2.gz DNSXCJPZVCIGRT-UHFFFAOYSA-N 1 2 423.470 2.131 20 5 HEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000772600689 1080002321 /nfs/dbraw/zinc/00/23/21/1080002321.db2.gz QTWXEGPRBDYACJ-LBPRGKRZSA-N 1 2 406.302 2.119 20 5 HEBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000772600689 1080002331 /nfs/dbraw/zinc/00/23/31/1080002331.db2.gz QTWXEGPRBDYACJ-LBPRGKRZSA-N 1 2 406.302 2.119 20 5 HEBDLO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000767657415 1080023538 /nfs/dbraw/zinc/02/35/38/1080023538.db2.gz SYEVXGUAALFRSZ-GFCCVEGCSA-N 1 2 423.451 2.075 20 5 HEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Nc1nnc(-c2ccco2)o1 ZINC000785675858 1080156070 /nfs/dbraw/zinc/15/60/70/1080156070.db2.gz NKVNFNPUJLHZLA-UHFFFAOYSA-N 1 2 424.329 2.219 20 5 HEBDLO C[N@H+](CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769043870 1080893212 /nfs/dbraw/zinc/89/32/12/1080893212.db2.gz KBNXTKSNWYGVBN-UHFFFAOYSA-N 1 2 410.423 2.426 20 5 HEBDLO C[N@@H+](CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769043870 1080893214 /nfs/dbraw/zinc/89/32/14/1080893214.db2.gz KBNXTKSNWYGVBN-UHFFFAOYSA-N 1 2 410.423 2.426 20 5 HEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000787126159 1081035472 /nfs/dbraw/zinc/03/54/72/1081035472.db2.gz LNIAFBRIZNAHND-UHFFFAOYSA-N 1 2 403.870 2.382 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000769893605 1078646595 /nfs/dbraw/zinc/64/65/95/1078646595.db2.gz SOHRQHHNTHHWCF-CHWSQXEVSA-N 1 2 405.904 2.334 20 5 HEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745990437 1078722281 /nfs/dbraw/zinc/72/22/81/1078722281.db2.gz FIBIXKJAEKZNTB-CQSZACIVSA-N 1 2 408.455 2.483 20 5 HEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745990437 1078722288 /nfs/dbraw/zinc/72/22/88/1078722288.db2.gz FIBIXKJAEKZNTB-CQSZACIVSA-N 1 2 408.455 2.483 20 5 HEBDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000771152709 1079164559 /nfs/dbraw/zinc/16/45/59/1079164559.db2.gz FUXFKAFWGRNAKY-UHFFFAOYSA-N 1 2 412.437 2.233 20 5 HEBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000771152709 1079164566 /nfs/dbraw/zinc/16/45/66/1079164566.db2.gz FUXFKAFWGRNAKY-UHFFFAOYSA-N 1 2 412.437 2.233 20 5 HEBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000738343914 1075996303 /nfs/dbraw/zinc/99/63/03/1075996303.db2.gz RZILGKKOXYRPGC-UHFFFAOYSA-N 1 2 418.885 2.197 20 5 HEBDLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384701 1076508383 /nfs/dbraw/zinc/50/83/83/1076508383.db2.gz DPPZJUSISUTBJC-BEFAXECRSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384701 1076508386 /nfs/dbraw/zinc/50/83/86/1076508386.db2.gz DPPZJUSISUTBJC-BEFAXECRSA-N 1 2 413.430 2.366 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742286038 1076815999 /nfs/dbraw/zinc/81/59/99/1076815999.db2.gz WPTVYNVWJWKXNA-MNOVXSKESA-N 1 2 410.279 2.043 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742286038 1076816002 /nfs/dbraw/zinc/81/60/02/1076816002.db2.gz WPTVYNVWJWKXNA-MNOVXSKESA-N 1 2 410.279 2.043 20 5 HEBDLO O=C1[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406307 1077382140 /nfs/dbraw/zinc/38/21/40/1077382140.db2.gz BNAKMTARHAVUKD-CXAGYDPISA-N 1 2 412.406 2.190 20 5 HEBDLO O=C1[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406307 1077382146 /nfs/dbraw/zinc/38/21/46/1077382146.db2.gz BNAKMTARHAVUKD-CXAGYDPISA-N 1 2 412.406 2.190 20 5 HEBDLO O=C(OCc1ccccc1)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000746520440 1079656247 /nfs/dbraw/zinc/65/62/47/1079656247.db2.gz NGQSZFNECPENJX-IBGZPJMESA-N 1 2 415.446 2.289 20 5 HEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2O1 ZINC000785675626 1080155435 /nfs/dbraw/zinc/15/54/35/1080155435.db2.gz JLXXSJDUNDITFK-MRXNPFEDSA-N 1 2 422.397 2.057 20 5 HEBDLO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c1 ZINC000769048834 1080894255 /nfs/dbraw/zinc/89/42/55/1080894255.db2.gz SCIDWSFBGHNGLY-UHFFFAOYSA-N 1 2 413.430 2.110 20 5 HEBDLO CN(C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000769126212 1080946038 /nfs/dbraw/zinc/94/60/38/1080946038.db2.gz VILQTAFFAHPBTI-UHFFFAOYSA-N 1 2 406.302 2.213 20 5 HEBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164830972 720397565 /nfs/dbraw/zinc/39/75/65/720397565.db2.gz STXIWXVHPGWBLT-UHFFFAOYSA-N 1 2 424.799 2.435 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741384526 1076508782 /nfs/dbraw/zinc/50/87/82/1076508782.db2.gz PMQZRHMERDEVOZ-LJQANCHMSA-N 1 2 413.430 2.286 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741384526 1076508788 /nfs/dbraw/zinc/50/87/88/1076508788.db2.gz PMQZRHMERDEVOZ-LJQANCHMSA-N 1 2 413.430 2.286 20 5 HEBDLO O=C1[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406310 1077382231 /nfs/dbraw/zinc/38/22/31/1077382231.db2.gz BNAKMTARHAVUKD-SUMWQHHRSA-N 1 2 412.406 2.190 20 5 HEBDLO O=C1[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406310 1077382240 /nfs/dbraw/zinc/38/22/40/1077382240.db2.gz BNAKMTARHAVUKD-SUMWQHHRSA-N 1 2 412.406 2.190 20 5 HEBDLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000771784897 1079505490 /nfs/dbraw/zinc/50/54/90/1079505490.db2.gz SAMIVRNKSQVXGJ-CQSZACIVSA-N 1 2 403.476 2.164 20 5 HEBDLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000771784897 1079505492 /nfs/dbraw/zinc/50/54/92/1079505492.db2.gz SAMIVRNKSQVXGJ-CQSZACIVSA-N 1 2 403.476 2.164 20 5 HEBDLO CCOC(=O)CNC(=O)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000771867950 1079558511 /nfs/dbraw/zinc/55/85/11/1079558511.db2.gz VFFQCKIGIDDXLW-UHFFFAOYSA-N 1 2 422.463 2.221 20 5 HEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000772600688 1080002617 /nfs/dbraw/zinc/00/26/17/1080002617.db2.gz QTWXEGPRBDYACJ-GFCCVEGCSA-N 1 2 406.302 2.119 20 5 HEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000772600688 1080002625 /nfs/dbraw/zinc/00/26/25/1080002625.db2.gz QTWXEGPRBDYACJ-GFCCVEGCSA-N 1 2 406.302 2.119 20 5 HEBDLO COc1cccc([C@@H]2CN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC[NH2+]2)c1 ZINC001169974021 1080057615 /nfs/dbraw/zinc/05/76/15/1080057615.db2.gz HDRIYONXLONFJX-ICSRJNTNSA-N 1 2 410.430 2.270 20 5 HEBDLO CCOc1ccnc(N2CCC[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000767795769 1080099591 /nfs/dbraw/zinc/09/95/91/1080099591.db2.gz JKYWIYVFWUEIMA-UHFFFAOYSA-N 1 2 424.465 2.212 20 5 HEBDLO CCOc1ccnc(N2CCC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000767795769 1080099603 /nfs/dbraw/zinc/09/96/03/1080099603.db2.gz JKYWIYVFWUEIMA-UHFFFAOYSA-N 1 2 424.465 2.212 20 5 HEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000767973814 1080244395 /nfs/dbraw/zinc/24/43/95/1080244395.db2.gz RAIQDXFSZZCNTF-UHFFFAOYSA-N 1 2 424.404 2.050 20 5 HEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000767973814 1080244405 /nfs/dbraw/zinc/24/44/05/1080244405.db2.gz RAIQDXFSZZCNTF-UHFFFAOYSA-N 1 2 424.404 2.050 20 5 HEBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918324 721817682 /nfs/dbraw/zinc/81/76/82/721817682.db2.gz NWCJWQPNVYOLIG-UHFFFAOYSA-N 1 2 414.466 2.113 20 5 HEBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991313 1078722972 /nfs/dbraw/zinc/72/29/72/1078722972.db2.gz OBJVQFCHDOIAJK-INIZCTEOSA-N 1 2 404.467 2.425 20 5 HEBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991313 1078722976 /nfs/dbraw/zinc/72/29/76/1078722976.db2.gz OBJVQFCHDOIAJK-INIZCTEOSA-N 1 2 404.467 2.425 20 5 HEBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000746409588 1078905802 /nfs/dbraw/zinc/90/58/02/1078905802.db2.gz YDJRVRGAPGCQRG-ZDUSSCGKSA-N 1 2 405.405 2.209 20 5 HEBDLO COc1ncc([N+](=O)[O-])c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169512240 1079318903 /nfs/dbraw/zinc/31/89/03/1079318903.db2.gz LJEMVTVXFRYVDV-ZBFHGGJFSA-N 1 2 401.423 2.265 20 5 HEBDLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741379786 1076504714 /nfs/dbraw/zinc/50/47/14/1076504714.db2.gz AKXYOIBIPTYAEA-GOSISDBHSA-N 1 2 417.393 2.117 20 5 HEBDLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741379786 1076504718 /nfs/dbraw/zinc/50/47/18/1076504718.db2.gz AKXYOIBIPTYAEA-GOSISDBHSA-N 1 2 417.393 2.117 20 5 HEBDLO CCOCCCNC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742146155 1076758618 /nfs/dbraw/zinc/75/86/18/1076758618.db2.gz UYGCVHKRFIZVAZ-UHFFFAOYSA-N 1 2 416.482 2.066 20 5 HEBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000768705920 1080721665 /nfs/dbraw/zinc/72/16/65/1080721665.db2.gz CCULUQNWRVVIMS-UHFFFAOYSA-N 1 2 417.853 2.112 20 5 HEBDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768842655 1080820983 /nfs/dbraw/zinc/82/09/83/1080820983.db2.gz OCRVYSPGPAWMKT-AWEZNQCLSA-N 1 2 410.521 2.145 20 5 HEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164705664 719871818 /nfs/dbraw/zinc/87/18/18/719871818.db2.gz NNJXKQUIOGQOEM-YWZLYKJASA-N 1 2 422.482 2.010 20 5 HEBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164945035 721976321 /nfs/dbraw/zinc/97/63/21/721976321.db2.gz AXAXSOMEHGSRFN-UHFFFAOYSA-N 1 2 420.473 2.442 20 5 HEBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164945035 721976322 /nfs/dbraw/zinc/97/63/22/721976322.db2.gz AXAXSOMEHGSRFN-UHFFFAOYSA-N 1 2 420.473 2.442 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000770299057 1078821254 /nfs/dbraw/zinc/82/12/54/1078821254.db2.gz GABGGMPRJUMLAA-UHFFFAOYSA-N 1 2 418.947 2.251 20 5 HEBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000766490209 1079028973 /nfs/dbraw/zinc/02/89/73/1079028973.db2.gz HLQAGCMIZLWKGV-UHFFFAOYSA-N 1 2 419.397 2.364 20 5 HEBDLO CCc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000741750473 1076618111 /nfs/dbraw/zinc/61/81/11/1076618111.db2.gz VVTVNDMFTLNKBQ-MUUNZHRXSA-N 1 2 403.508 2.115 20 5 HEBDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000766324262 1077749187 /nfs/dbraw/zinc/74/91/87/1077749187.db2.gz CJRKWHPPESFDRN-UHFFFAOYSA-N 1 2 416.409 2.301 20 5 HEBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000767681914 1080038000 /nfs/dbraw/zinc/03/80/00/1080038000.db2.gz DPFDGURYCZXREF-MRXNPFEDSA-N 1 2 413.434 2.289 20 5 HEBDLO COCc1cccc(CNC(=O)COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000785679706 1080157916 /nfs/dbraw/zinc/15/79/16/1080157916.db2.gz XOPXRGGEGHPMOD-UHFFFAOYSA-N 1 2 424.413 2.400 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001164697220 719848942 /nfs/dbraw/zinc/84/89/42/719848942.db2.gz BRMYUJIARLZWHI-SCLBCKFNSA-N 1 2 412.874 2.184 20 5 HEBDLO CCOC(=O)c1ccnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1[N+](=O)[O-] ZINC001164919930 721820908 /nfs/dbraw/zinc/82/09/08/721820908.db2.gz YULXLEIIYZNHRZ-UHFFFAOYSA-N 1 2 414.466 2.113 20 5 HEBDLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766848491 1079446335 /nfs/dbraw/zinc/44/63/35/1079446335.db2.gz ATEIIILMLAGIGO-CQSZACIVSA-N 1 2 405.904 2.370 20 5 HEBDLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000766848491 1079446340 /nfs/dbraw/zinc/44/63/40/1079446340.db2.gz ATEIIILMLAGIGO-CQSZACIVSA-N 1 2 405.904 2.370 20 5 HEBDLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740758735 1076229286 /nfs/dbraw/zinc/22/92/86/1076229286.db2.gz JXCCZOQJRHGUPZ-CQSZACIVSA-N 1 2 411.414 2.460 20 5 HEBDLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740758735 1076229291 /nfs/dbraw/zinc/22/92/91/1076229291.db2.gz JXCCZOQJRHGUPZ-CQSZACIVSA-N 1 2 411.414 2.460 20 5 HEBDLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386043 1076509242 /nfs/dbraw/zinc/50/92/42/1076509242.db2.gz UQROSQUXCBGFOE-HNAYVOBHSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386043 1076509246 /nfs/dbraw/zinc/50/92/46/1076509246.db2.gz UQROSQUXCBGFOE-HNAYVOBHSA-N 1 2 413.430 2.366 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742286037 1076815964 /nfs/dbraw/zinc/81/59/64/1076815964.db2.gz WPTVYNVWJWKXNA-GHMZBOCLSA-N 1 2 410.279 2.043 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742286037 1076815967 /nfs/dbraw/zinc/81/59/67/1076815967.db2.gz WPTVYNVWJWKXNA-GHMZBOCLSA-N 1 2 410.279 2.043 20 5 HEBDLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000767749274 1080066261 /nfs/dbraw/zinc/06/62/61/1080066261.db2.gz CKGMPXKHCGMEOU-UHFFFAOYSA-N 1 2 408.455 2.428 20 5 HEBDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC000786577677 1080667671 /nfs/dbraw/zinc/66/76/71/1080667671.db2.gz CKECDGCHRDPHMN-UHFFFAOYSA-N 1 2 415.497 2.455 20 5 HEBDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC000786577677 1080667673 /nfs/dbraw/zinc/66/76/73/1080667673.db2.gz CKECDGCHRDPHMN-UHFFFAOYSA-N 1 2 415.497 2.455 20 5 HEBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000746616067 1080868722 /nfs/dbraw/zinc/86/87/22/1080868722.db2.gz FFJGLJRPONBBJN-MRXNPFEDSA-N 1 2 418.494 2.295 20 5 HEBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000746616065 1080868762 /nfs/dbraw/zinc/86/87/62/1080868762.db2.gz FFJGLJRPONBBJN-INIZCTEOSA-N 1 2 418.494 2.295 20 5 HEBDLO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193395 1080968597 /nfs/dbraw/zinc/96/85/97/1080968597.db2.gz ZAXMZHAIZXFTNY-AWEZNQCLSA-N 1 2 422.482 2.153 20 5 HEBDLO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193395 1080968615 /nfs/dbraw/zinc/96/86/15/1080968615.db2.gz ZAXMZHAIZXFTNY-AWEZNQCLSA-N 1 2 422.482 2.153 20 5 HEBDLO COc1cccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000769602415 1081164585 /nfs/dbraw/zinc/16/45/85/1081164585.db2.gz FSFDNFPWXFVMLR-UHFFFAOYSA-N 1 2 419.459 2.166 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001164697219 719849047 /nfs/dbraw/zinc/84/90/47/719849047.db2.gz BRMYUJIARLZWHI-FZKQIMNGSA-N 1 2 412.874 2.184 20 5 HEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164705598 719861461 /nfs/dbraw/zinc/86/14/61/719861461.db2.gz URACOCTXEIXCEM-IERDGZPVSA-N 1 2 414.462 2.376 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164705662 719872011 /nfs/dbraw/zinc/87/20/11/719872011.db2.gz NNJXKQUIOGQOEM-MGPUTAFESA-N 1 2 422.482 2.010 20 5 HEBDLO C[C@H]1CN(C(=O)Cc2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000771226821 1079216990 /nfs/dbraw/zinc/21/69/90/1079216990.db2.gz YGKARBHWPOAFOA-STQMWFEESA-N 1 2 412.406 2.009 20 5 HEBDLO NC(=O)COc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001273381333 1076391504 /nfs/dbraw/zinc/39/15/04/1076391504.db2.gz HVVOURCTMGLPOH-UHFFFAOYSA-N 1 2 421.413 2.238 20 5 HEBDLO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+]2CCC(OCC3CC3)CC2)C1=O ZINC000743407593 1077047861 /nfs/dbraw/zinc/04/78/61/1077047861.db2.gz SKFHECHSTZDNGQ-HXUWFJFHSA-N 1 2 402.451 2.210 20 5 HEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000785676137 1080154121 /nfs/dbraw/zinc/15/41/21/1080154121.db2.gz QCIZAWVZANDUDX-FUHWJXTLSA-N 1 2 414.418 2.107 20 5 HEBDLO COCc1ccc(CNC(=O)COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000785677322 1080155824 /nfs/dbraw/zinc/15/58/24/1080155824.db2.gz KASKZRWPEQJLII-UHFFFAOYSA-N 1 2 424.413 2.400 20 5 HEBDLO C[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2Br)CC1 ZINC000786827973 1080827690 /nfs/dbraw/zinc/82/76/90/1080827690.db2.gz TVBYTDLTQAAQKT-UHFFFAOYSA-N 1 2 408.260 2.225 20 5 HEBDLO COc1ccc(-c2ccc(CN3CC[NH+](CC[S@@](C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000769477944 1081093167 /nfs/dbraw/zinc/09/31/67/1081093167.db2.gz BGILKIPKOBKAIZ-MUUNZHRXSA-N 1 2 407.492 2.360 20 5 HEBDLO COc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164670776 719492814 /nfs/dbraw/zinc/49/28/14/719492814.db2.gz YSMUSSLXZAUIJP-UHFFFAOYSA-N 1 2 417.441 2.404 20 5 HEBDLO COc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164670776 719492822 /nfs/dbraw/zinc/49/28/22/719492822.db2.gz YSMUSSLXZAUIJP-UHFFFAOYSA-N 1 2 417.441 2.404 20 5 HEBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc([N+](=O)[O-])n4)CC3)C2=O)cs1 ZINC001164824007 720362351 /nfs/dbraw/zinc/36/23/51/720362351.db2.gz GURPGGPVFHRXMQ-UHFFFAOYSA-N 1 2 416.507 2.068 20 5 HEBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc([N+](=O)[O-])n4)CC3)C2=O)cs1 ZINC001164824007 720362356 /nfs/dbraw/zinc/36/23/56/720362356.db2.gz GURPGGPVFHRXMQ-UHFFFAOYSA-N 1 2 416.507 2.068 20 5 HEBDLO O=[N+]([O-])c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912815 721773802 /nfs/dbraw/zinc/77/38/02/721773802.db2.gz QDXSZCBJRLGTNZ-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912815 721773807 /nfs/dbraw/zinc/77/38/07/721773807.db2.gz QDXSZCBJRLGTNZ-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO Cc1c(C)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164914860 721785983 /nfs/dbraw/zinc/78/59/83/721785983.db2.gz GMFAMTTUGJYNFY-NRFANRHFSA-N 1 2 413.478 2.109 20 5 HEBDLO Cc1c(C)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164914860 721785987 /nfs/dbraw/zinc/78/59/87/721785987.db2.gz GMFAMTTUGJYNFY-NRFANRHFSA-N 1 2 413.478 2.109 20 5 HEBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000770427550 1078850783 /nfs/dbraw/zinc/85/07/83/1078850783.db2.gz RRRGZQVIJXYDMH-CYBMUJFWSA-N 1 2 405.405 2.209 20 5 HEBDLO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000766848490 1079446221 /nfs/dbraw/zinc/44/62/21/1079446221.db2.gz ATEIIILMLAGIGO-AWEZNQCLSA-N 1 2 405.904 2.370 20 5 HEBDLO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000766848490 1079446227 /nfs/dbraw/zinc/44/62/27/1079446227.db2.gz ATEIIILMLAGIGO-AWEZNQCLSA-N 1 2 405.904 2.370 20 5 HEBDLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386041 1076509159 /nfs/dbraw/zinc/50/91/59/1076509159.db2.gz UQROSQUXCBGFOE-BEFAXECRSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386041 1076509165 /nfs/dbraw/zinc/50/91/65/1076509165.db2.gz UQROSQUXCBGFOE-BEFAXECRSA-N 1 2 413.430 2.366 20 5 HEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000767852103 1080172555 /nfs/dbraw/zinc/17/25/55/1080172555.db2.gz XCZSMZXOADBWDI-UHFFFAOYSA-N 1 2 403.258 2.265 20 5 HEBDLO O=C(C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000768193187 1080408323 /nfs/dbraw/zinc/40/83/23/1080408323.db2.gz DFSSYMKNAQNBNF-UHFFFAOYSA-N 1 2 412.284 2.428 20 5 HEBDLO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193396 1080968914 /nfs/dbraw/zinc/96/89/14/1080968914.db2.gz ZAXMZHAIZXFTNY-CQSZACIVSA-N 1 2 422.482 2.153 20 5 HEBDLO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769193396 1080968925 /nfs/dbraw/zinc/96/89/25/1080968925.db2.gz ZAXMZHAIZXFTNY-CQSZACIVSA-N 1 2 422.482 2.153 20 5 HEBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc([N+](=O)[O-])ccn4)CC3)C2=O)cs1 ZINC001164826502 720357797 /nfs/dbraw/zinc/35/77/97/720357797.db2.gz WJYSFXRRGVEITO-UHFFFAOYSA-N 1 2 416.507 2.068 20 5 HEBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc([N+](=O)[O-])ccn4)CC3)C2=O)cs1 ZINC001164826502 720357805 /nfs/dbraw/zinc/35/78/05/720357805.db2.gz WJYSFXRRGVEITO-UHFFFAOYSA-N 1 2 416.507 2.068 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913012 721778060 /nfs/dbraw/zinc/77/80/60/721778060.db2.gz SYNWBARJAWVONB-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913012 721778062 /nfs/dbraw/zinc/77/80/62/721778062.db2.gz SYNWBARJAWVONB-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO Cc1c(C)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164914861 721785695 /nfs/dbraw/zinc/78/56/95/721785695.db2.gz GMFAMTTUGJYNFY-OAQYLSRUSA-N 1 2 413.478 2.109 20 5 HEBDLO Cc1c(C)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164914861 721785699 /nfs/dbraw/zinc/78/56/99/721785699.db2.gz GMFAMTTUGJYNFY-OAQYLSRUSA-N 1 2 413.478 2.109 20 5 HEBDLO Cc1cc(N2CCC[C@@H]([NH+]3CCN(c4ccc([N+](=O)[O-])cc4C)CC3)C2=O)n(C)n1 ZINC000770126211 1078741018 /nfs/dbraw/zinc/74/10/18/1078741018.db2.gz KMLSMCUPBLZBBI-LJQANCHMSA-N 1 2 412.494 2.263 20 5 HEBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000746429826 1078943413 /nfs/dbraw/zinc/94/34/13/1078943413.db2.gz VLKCSTHVCZXAES-UHFFFAOYSA-N 1 2 421.479 2.253 20 5 HEBDLO C[C@@H]1CN(C(=O)Cc2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000771226820 1079216887 /nfs/dbraw/zinc/21/68/87/1079216887.db2.gz YGKARBHWPOAFOA-CHWSQXEVSA-N 1 2 412.406 2.009 20 5 HEBDLO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000771302528 1079274974 /nfs/dbraw/zinc/27/49/74/1079274974.db2.gz WHHCBPGNTCPRDF-UHFFFAOYSA-N 1 2 424.502 2.114 20 5 HEBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503845 1079364333 /nfs/dbraw/zinc/36/43/33/1079364333.db2.gz ZTURMPJPDRLZHH-OAHLLOKOSA-N 1 2 413.459 2.230 20 5 HEBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503845 1079364336 /nfs/dbraw/zinc/36/43/36/1079364336.db2.gz ZTURMPJPDRLZHH-OAHLLOKOSA-N 1 2 413.459 2.230 20 5 HEBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000740865476 1076274780 /nfs/dbraw/zinc/27/47/80/1076274780.db2.gz CVGVVKRDQSZPLX-UHFFFAOYSA-N 1 2 422.457 2.045 20 5 HEBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000740865476 1076274785 /nfs/dbraw/zinc/27/47/85/1076274785.db2.gz CVGVVKRDQSZPLX-UHFFFAOYSA-N 1 2 422.457 2.045 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383056 1076506392 /nfs/dbraw/zinc/50/63/92/1076506392.db2.gz RWFFZHDLTCNLMZ-LJQANCHMSA-N 1 2 413.430 2.286 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383056 1076506399 /nfs/dbraw/zinc/50/63/99/1076506399.db2.gz RWFFZHDLTCNLMZ-LJQANCHMSA-N 1 2 413.430 2.286 20 5 HEBDLO CN(C(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000741382960 1076506855 /nfs/dbraw/zinc/50/68/55/1076506855.db2.gz KGNUVQQJUOISAJ-LJQANCHMSA-N 1 2 413.430 2.002 20 5 HEBDLO CN(C(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000741382960 1076506860 /nfs/dbraw/zinc/50/68/60/1076506860.db2.gz KGNUVQQJUOISAJ-LJQANCHMSA-N 1 2 413.430 2.002 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742286040 1076815974 /nfs/dbraw/zinc/81/59/74/1076815974.db2.gz WPTVYNVWJWKXNA-WDEREUQCSA-N 1 2 410.279 2.043 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742286040 1076815976 /nfs/dbraw/zinc/81/59/76/1076815976.db2.gz WPTVYNVWJWKXNA-WDEREUQCSA-N 1 2 410.279 2.043 20 5 HEBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000742399562 1076837644 /nfs/dbraw/zinc/83/76/44/1076837644.db2.gz ROQHVLNOTJGZCW-UHFFFAOYSA-N 1 2 416.390 2.317 20 5 HEBDLO O=[N+]([O-])c1ccc(N2CCN(CCC[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000743846046 1077149380 /nfs/dbraw/zinc/14/93/80/1077149380.db2.gz ZJZKUFHYGHVLGO-UHFFFAOYSA-N 1 2 402.417 2.458 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744403643 1077381366 /nfs/dbraw/zinc/38/13/66/1077381366.db2.gz UEXRSVPZTRMNJG-ZDUSSCGKSA-N 1 2 400.395 2.331 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744403643 1077381374 /nfs/dbraw/zinc/38/13/74/1077381374.db2.gz UEXRSVPZTRMNJG-ZDUSSCGKSA-N 1 2 400.395 2.331 20 5 HEBDLO CCN1CC[NH+](Cc2ccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768805652 1080783975 /nfs/dbraw/zinc/78/39/75/1080783975.db2.gz PWWISIGJHPINOS-UHFFFAOYSA-N 1 2 424.548 2.272 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164705599 719861769 /nfs/dbraw/zinc/86/17/69/719861769.db2.gz URACOCTXEIXCEM-IIBYNOLFSA-N 1 2 414.462 2.376 20 5 HEBDLO O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913652 721769246 /nfs/dbraw/zinc/76/92/46/721769246.db2.gz ZOSWVPSEELRTQN-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913652 721769251 /nfs/dbraw/zinc/76/92/51/721769251.db2.gz ZOSWVPSEELRTQN-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000769893606 1078646233 /nfs/dbraw/zinc/64/62/33/1078646233.db2.gz SOHRQHHNTHHWCF-STQMWFEESA-N 1 2 405.904 2.334 20 5 HEBDLO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccc(Cl)nc1 ZINC000746451166 1078973643 /nfs/dbraw/zinc/97/36/43/1078973643.db2.gz NTALHZMPAHLZHQ-UHFFFAOYSA-N 1 2 403.870 2.424 20 5 HEBDLO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccc(Cl)nc1 ZINC000746451166 1078973649 /nfs/dbraw/zinc/97/36/49/1078973649.db2.gz NTALHZMPAHLZHQ-UHFFFAOYSA-N 1 2 403.870 2.424 20 5 HEBDLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000744415177 1077377801 /nfs/dbraw/zinc/37/78/01/1077377801.db2.gz WPGJBYFWPDKOKR-UHFFFAOYSA-N 1 2 422.441 2.499 20 5 HEBDLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000744415177 1077377805 /nfs/dbraw/zinc/37/78/05/1077377805.db2.gz WPGJBYFWPDKOKR-UHFFFAOYSA-N 1 2 422.441 2.499 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744403642 1077381233 /nfs/dbraw/zinc/38/12/33/1077381233.db2.gz UEXRSVPZTRMNJG-CYBMUJFWSA-N 1 2 400.395 2.331 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744403642 1077381238 /nfs/dbraw/zinc/38/12/38/1077381238.db2.gz UEXRSVPZTRMNJG-CYBMUJFWSA-N 1 2 400.395 2.331 20 5 HEBDLO O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000745331573 1077805060 /nfs/dbraw/zinc/80/50/60/1077805060.db2.gz CRTYLBQDOXUFSO-UHFFFAOYSA-N 1 2 413.430 2.151 20 5 HEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767751647 1080086287 /nfs/dbraw/zinc/08/62/87/1080086287.db2.gz TYMOUOPOZZFNGM-UHFFFAOYSA-N 1 2 420.491 2.297 20 5 HEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000785676136 1080154440 /nfs/dbraw/zinc/15/44/40/1080154440.db2.gz QCIZAWVZANDUDX-AEFFLSMTSA-N 1 2 414.418 2.107 20 5 HEBDLO C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677928 1080157040 /nfs/dbraw/zinc/15/70/40/1080157040.db2.gz NRNKZWGENSCPBQ-CYBMUJFWSA-N 1 2 424.417 2.165 20 5 HEBDLO COCCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000768204279 1080394923 /nfs/dbraw/zinc/39/49/23/1080394923.db2.gz WFFPWSQYUHILFC-ZDUSSCGKSA-N 1 2 421.313 2.383 20 5 HEBDLO COCCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000768204279 1080394928 /nfs/dbraw/zinc/39/49/28/1080394928.db2.gz WFFPWSQYUHILFC-ZDUSSCGKSA-N 1 2 421.313 2.383 20 5 HEBDLO C[N@H+](CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)Cc1ccc(F)cc1 ZINC000769093183 1080904398 /nfs/dbraw/zinc/90/43/98/1080904398.db2.gz ZMIRCWPGANEQJX-UHFFFAOYSA-N 1 2 410.423 2.426 20 5 HEBDLO C[N@@H+](CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)Cc1ccc(F)cc1 ZINC000769093183 1080904421 /nfs/dbraw/zinc/90/44/21/1080904421.db2.gz ZMIRCWPGANEQJX-UHFFFAOYSA-N 1 2 410.423 2.426 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164703441 719852202 /nfs/dbraw/zinc/85/22/02/719852202.db2.gz PVPFDKXKNLOTCX-IIBYNOLFSA-N 1 2 414.462 2.376 20 5 HEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164703439 719852319 /nfs/dbraw/zinc/85/23/19/719852319.db2.gz PVPFDKXKNLOTCX-IERDGZPVSA-N 1 2 414.462 2.376 20 5 HEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164703443 719852329 /nfs/dbraw/zinc/85/23/29/719852329.db2.gz PVPFDKXKNLOTCX-KKSFZXQISA-N 1 2 414.462 2.376 20 5 HEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164703449 719852676 /nfs/dbraw/zinc/85/26/76/719852676.db2.gz PVWWNSIEYDOUPA-VFNWGFHPSA-N 1 2 414.462 2.376 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164703446 719852773 /nfs/dbraw/zinc/85/27/73/719852773.db2.gz PVWWNSIEYDOUPA-QVKFZJNVSA-N 1 2 414.462 2.376 20 5 HEBDLO O=[N+]([O-])c1cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164826942 720397288 /nfs/dbraw/zinc/39/72/88/720397288.db2.gz FJNRLCPINKIUPT-UHFFFAOYSA-N 1 2 424.799 2.435 20 5 HEBDLO Cc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000746322892 1078858473 /nfs/dbraw/zinc/85/84/73/1078858473.db2.gz OJOSQBAPWZAXBO-UHFFFAOYSA-N 1 2 408.409 2.285 20 5 HEBDLO Cc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000746322892 1078858475 /nfs/dbraw/zinc/85/84/75/1078858475.db2.gz OJOSQBAPWZAXBO-UHFFFAOYSA-N 1 2 408.409 2.285 20 5 HEBDLO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1F ZINC000771776710 1079498452 /nfs/dbraw/zinc/49/84/52/1079498452.db2.gz RJRMRRGOYNQMSX-UHFFFAOYSA-N 1 2 403.476 2.021 20 5 HEBDLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740758734 1076229166 /nfs/dbraw/zinc/22/91/66/1076229166.db2.gz JXCCZOQJRHGUPZ-AWEZNQCLSA-N 1 2 411.414 2.460 20 5 HEBDLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740758734 1076229168 /nfs/dbraw/zinc/22/91/68/1076229168.db2.gz JXCCZOQJRHGUPZ-AWEZNQCLSA-N 1 2 411.414 2.460 20 5 HEBDLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384705 1076508713 /nfs/dbraw/zinc/50/87/13/1076508713.db2.gz DPPZJUSISUTBJC-DNVCBOLYSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384705 1076508716 /nfs/dbraw/zinc/50/87/16/1076508716.db2.gz DPPZJUSISUTBJC-DNVCBOLYSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H]1CN=C(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)S1 ZINC000742192187 1076782376 /nfs/dbraw/zinc/78/23/76/1076782376.db2.gz XBTDVFWCFNFCSK-ZDUSSCGKSA-N 1 2 400.464 2.030 20 5 HEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000745330829 1077808487 /nfs/dbraw/zinc/80/84/87/1077808487.db2.gz PPXYYFOSTASWAN-UHFFFAOYSA-N 1 2 403.460 2.086 20 5 HEBDLO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000804367300 1080498154 /nfs/dbraw/zinc/49/81/54/1080498154.db2.gz KNCSPJRHIJFPQJ-MRXNPFEDSA-N 1 2 412.324 2.348 20 5 HEBDLO Cc1cc(N2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000768799229 1080803881 /nfs/dbraw/zinc/80/38/81/1080803881.db2.gz RSXQUICBBPTWJE-UHFFFAOYSA-N 1 2 411.509 2.389 20 5 HEBDLO COc1ncnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001164672333 719509235 /nfs/dbraw/zinc/50/92/35/719509235.db2.gz LHBOZSOGDZXINL-UHFFFAOYSA-N 1 2 417.441 2.404 20 5 HEBDLO COc1ncnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001164672333 719509242 /nfs/dbraw/zinc/50/92/42/719509242.db2.gz LHBOZSOGDZXINL-UHFFFAOYSA-N 1 2 417.441 2.404 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164703451 719852912 /nfs/dbraw/zinc/85/29/12/719852912.db2.gz PVWWNSIEYDOUPA-YCRPNKLZSA-N 1 2 414.462 2.376 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913013 721777821 /nfs/dbraw/zinc/77/78/21/721777821.db2.gz SYNWBARJAWVONB-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913013 721777826 /nfs/dbraw/zinc/77/78/26/721777826.db2.gz SYNWBARJAWVONB-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745986652 1078719800 /nfs/dbraw/zinc/71/98/00/1078719800.db2.gz NTSBPZHNQQYIJX-INIZCTEOSA-N 1 2 404.467 2.425 20 5 HEBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745986652 1078719810 /nfs/dbraw/zinc/71/98/10/1078719810.db2.gz NTSBPZHNQQYIJX-INIZCTEOSA-N 1 2 404.467 2.425 20 5 HEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745990435 1078722525 /nfs/dbraw/zinc/72/25/25/1078722525.db2.gz FIBIXKJAEKZNTB-AWEZNQCLSA-N 1 2 408.455 2.483 20 5 HEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745990435 1078722529 /nfs/dbraw/zinc/72/25/29/1078722529.db2.gz FIBIXKJAEKZNTB-AWEZNQCLSA-N 1 2 408.455 2.483 20 5 HEBDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)c1 ZINC000766408383 1078957665 /nfs/dbraw/zinc/95/76/65/1078957665.db2.gz JRWYDRKVOOZTEN-UHFFFAOYSA-N 1 2 400.435 2.022 20 5 HEBDLO Cc1nn(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000771624768 1079409190 /nfs/dbraw/zinc/40/91/90/1079409190.db2.gz RBZSYJKLNARETN-UHFFFAOYSA-N 1 2 410.434 2.248 20 5 HEBDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879414 1079452287 /nfs/dbraw/zinc/45/22/87/1079452287.db2.gz IKQXTJVLMYWCJD-SWLSCSKDSA-N 1 2 403.273 2.203 20 5 HEBDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879414 1079452299 /nfs/dbraw/zinc/45/22/99/1079452299.db2.gz IKQXTJVLMYWCJD-SWLSCSKDSA-N 1 2 403.273 2.203 20 5 HEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382287 1076507420 /nfs/dbraw/zinc/50/74/20/1076507420.db2.gz NWEYCRWOCHIJCO-GOSISDBHSA-N 1 2 413.430 2.286 20 5 HEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382287 1076507424 /nfs/dbraw/zinc/50/74/24/1076507424.db2.gz NWEYCRWOCHIJCO-GOSISDBHSA-N 1 2 413.430 2.286 20 5 HEBDLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000741385658 1076509742 /nfs/dbraw/zinc/50/97/42/1076509742.db2.gz SYAJHLJMXDXZPG-GOSISDBHSA-N 1 2 417.393 2.117 20 5 HEBDLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000741385658 1076509746 /nfs/dbraw/zinc/50/97/46/1076509746.db2.gz SYAJHLJMXDXZPG-GOSISDBHSA-N 1 2 417.393 2.117 20 5 HEBDLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000744414767 1077377991 /nfs/dbraw/zinc/37/79/91/1077377991.db2.gz PRALVDFDTDTASD-UHFFFAOYSA-N 1 2 422.441 2.499 20 5 HEBDLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000744414767 1077377995 /nfs/dbraw/zinc/37/79/95/1077377995.db2.gz PRALVDFDTDTASD-UHFFFAOYSA-N 1 2 422.441 2.499 20 5 HEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000745088268 1077725165 /nfs/dbraw/zinc/72/51/65/1077725165.db2.gz LTQZETYIVWUGOD-CQSZACIVSA-N 1 2 407.423 2.112 20 5 HEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000745088268 1077725171 /nfs/dbraw/zinc/72/51/71/1077725171.db2.gz LTQZETYIVWUGOD-CQSZACIVSA-N 1 2 407.423 2.112 20 5 HEBDLO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000771784923 1079505401 /nfs/dbraw/zinc/50/54/01/1079505401.db2.gz LANDRHCPVRCIIP-NSHDSACASA-N 1 2 424.841 2.359 20 5 HEBDLO NC(=O)c1cc(OC2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)ccn1 ZINC000772336362 1079830193 /nfs/dbraw/zinc/83/01/93/1079830193.db2.gz OXEVPDMSSABODK-UHFFFAOYSA-N 1 2 424.417 2.182 20 5 HEBDLO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000767657418 1080023483 /nfs/dbraw/zinc/02/34/83/1080023483.db2.gz SYEVXGUAALFRSZ-LBPRGKRZSA-N 1 2 423.451 2.075 20 5 HEBDLO CCOc1ccnc(N2CCC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)n1 ZINC000767795480 1080098386 /nfs/dbraw/zinc/09/83/86/1080098386.db2.gz BWSMXKYAIMBQMU-UHFFFAOYSA-N 1 2 424.465 2.212 20 5 HEBDLO CCOc1ccnc(N2CCC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC2)n1 ZINC000767795480 1080098397 /nfs/dbraw/zinc/09/83/97/1080098397.db2.gz BWSMXKYAIMBQMU-UHFFFAOYSA-N 1 2 424.465 2.212 20 5 HEBDLO O=CN1CCc2cc(C(=O)COC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)ccc21 ZINC000785675101 1080153616 /nfs/dbraw/zinc/15/36/16/1080153616.db2.gz BQLUORQJAOLERH-UHFFFAOYSA-N 1 2 420.381 2.339 20 5 HEBDLO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677929 1080157327 /nfs/dbraw/zinc/15/73/27/1080157327.db2.gz NRNKZWGENSCPBQ-ZDUSSCGKSA-N 1 2 424.417 2.165 20 5 HEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000767847553 1080165463 /nfs/dbraw/zinc/16/54/63/1080165463.db2.gz CAOGVRZHSXSTTQ-UHFFFAOYSA-N 1 2 403.258 2.265 20 5 HEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([N+](=O)[O-])c1 ZINC000785857875 1080284692 /nfs/dbraw/zinc/28/46/92/1080284692.db2.gz RSFMDPWSPGMJMD-UHFFFAOYSA-N 1 2 418.410 2.374 20 5 HEBDLO O=C(NCC[NH+]1CCCC1)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768861793 1080843406 /nfs/dbraw/zinc/84/34/06/1080843406.db2.gz DJJNQZXCDLRXAK-UHFFFAOYSA-N 1 2 424.504 2.283 20 5 HEBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745992134 1078723492 /nfs/dbraw/zinc/72/34/92/1078723492.db2.gz WOSIYLLFBIFGJC-GFCCVEGCSA-N 1 2 422.438 2.203 20 5 HEBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745992134 1078723502 /nfs/dbraw/zinc/72/35/02/1078723502.db2.gz WOSIYLLFBIFGJC-GFCCVEGCSA-N 1 2 422.438 2.203 20 5 HEBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746243382 1078830139 /nfs/dbraw/zinc/83/01/39/1078830139.db2.gz VHJJEYHEOBSLFE-UHFFFAOYSA-N 1 2 416.415 2.058 20 5 HEBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000770427554 1078850801 /nfs/dbraw/zinc/85/08/01/1078850801.db2.gz RRRGZQVIJXYDMH-ZDUSSCGKSA-N 1 2 405.405 2.209 20 5 HEBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746323248 1079147661 /nfs/dbraw/zinc/14/76/61/1079147661.db2.gz HXNABDAOHBXDBX-CYBMUJFWSA-N 1 2 402.446 2.015 20 5 HEBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746323248 1079147665 /nfs/dbraw/zinc/14/76/65/1079147665.db2.gz HXNABDAOHBXDBX-CYBMUJFWSA-N 1 2 402.446 2.015 20 5 HEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1I ZINC000804336157 1079380857 /nfs/dbraw/zinc/38/08/57/1079380857.db2.gz KXXRYFSZBRPFJQ-VIFPVBQESA-N 1 2 412.187 2.141 20 5 HEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1I ZINC000804336156 1079380995 /nfs/dbraw/zinc/38/09/95/1079380995.db2.gz KXXRYFSZBRPFJQ-SECBINFHSA-N 1 2 412.187 2.141 20 5 HEBDLO COc1cc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c([N+](=O)[O-])cc1F ZINC000766842111 1079432001 /nfs/dbraw/zinc/43/20/01/1079432001.db2.gz BEGYGPGRVYCLJX-UHFFFAOYSA-N 1 2 404.398 2.280 20 5 HEBDLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000766238901 1076037653 /nfs/dbraw/zinc/03/76/53/1076037653.db2.gz BQTWRBMIKYVRBW-UHFFFAOYSA-N 1 2 404.492 2.167 20 5 HEBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000742254429 1076810181 /nfs/dbraw/zinc/81/01/81/1076810181.db2.gz DJJPQKOJCZQOOV-GOSISDBHSA-N 1 2 408.480 2.171 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742286039 1076815938 /nfs/dbraw/zinc/81/59/38/1076815938.db2.gz WPTVYNVWJWKXNA-QWRGUYRKSA-N 1 2 410.279 2.043 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742286039 1076815940 /nfs/dbraw/zinc/81/59/40/1076815940.db2.gz WPTVYNVWJWKXNA-QWRGUYRKSA-N 1 2 410.279 2.043 20 5 HEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000745387045 1077816367 /nfs/dbraw/zinc/81/63/67/1077816367.db2.gz APKWTFYCMMALON-UHFFFAOYSA-N 1 2 403.460 2.466 20 5 HEBDLO NC(=O)c1cc(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)ccn1 ZINC000772331695 1079825668 /nfs/dbraw/zinc/82/56/68/1079825668.db2.gz ZAGLQKCBMLFTDF-UHFFFAOYSA-N 1 2 424.417 2.182 20 5 HEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000767850801 1080172703 /nfs/dbraw/zinc/17/27/03/1080172703.db2.gz QHJQBGYJMMIMNM-UHFFFAOYSA-N 1 2 403.258 2.265 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786994698 1080904221 /nfs/dbraw/zinc/90/42/21/1080904221.db2.gz BDUWNRUYSBRMJP-QFBILLFUSA-N 1 2 419.478 2.221 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164702106 719849379 /nfs/dbraw/zinc/84/93/79/719849379.db2.gz NYIXIHNSYCPHLG-DYESRHJHSA-N 1 2 414.462 2.376 20 5 HEBDLO O=[N+]([O-])c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912816 721773675 /nfs/dbraw/zinc/77/36/75/721773675.db2.gz QDXSZCBJRLGTNZ-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912816 721773676 /nfs/dbraw/zinc/77/36/76/721773676.db2.gz QDXSZCBJRLGTNZ-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164948413 721969286 /nfs/dbraw/zinc/96/92/86/721969286.db2.gz URKMUYCZMFHHTE-UHFFFAOYSA-N 1 2 416.869 2.009 20 5 HEBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164948413 721969287 /nfs/dbraw/zinc/96/92/87/721969287.db2.gz URKMUYCZMFHHTE-UHFFFAOYSA-N 1 2 416.869 2.009 20 5 HEBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000745992166 1078723438 /nfs/dbraw/zinc/72/34/38/1078723438.db2.gz XBMGRDYXUUNZHB-CYBMUJFWSA-N 1 2 408.455 2.483 20 5 HEBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000745992166 1078723447 /nfs/dbraw/zinc/72/34/47/1078723447.db2.gz XBMGRDYXUUNZHB-CYBMUJFWSA-N 1 2 408.455 2.483 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000770667478 1078925597 /nfs/dbraw/zinc/92/55/97/1078925597.db2.gz FKIYZPYSJXCMAM-DAYGRLMNSA-N 1 2 405.838 2.356 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000770667478 1078925601 /nfs/dbraw/zinc/92/56/01/1078925601.db2.gz FKIYZPYSJXCMAM-DAYGRLMNSA-N 1 2 405.838 2.356 20 5 HEBDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1C ZINC000766546214 1079086711 /nfs/dbraw/zinc/08/67/11/1079086711.db2.gz AXQJGYGEMVNOIV-UHFFFAOYSA-N 1 2 412.402 2.199 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010735 1079098537 /nfs/dbraw/zinc/09/85/37/1079098537.db2.gz FZBIUXRMIFBCRH-CVEARBPZSA-N 1 2 420.514 2.265 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010735 1079098547 /nfs/dbraw/zinc/09/85/47/1079098547.db2.gz FZBIUXRMIFBCRH-CVEARBPZSA-N 1 2 420.514 2.265 20 5 HEBDLO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Oc1cccc(-n3cc[nH+]c3)c1)OCCO2 ZINC000738392056 1075993197 /nfs/dbraw/zinc/99/31/97/1075993197.db2.gz WMXIKTCXGIBAII-UHFFFAOYSA-N 1 2 403.372 2.319 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383055 1076506322 /nfs/dbraw/zinc/50/63/22/1076506322.db2.gz RWFFZHDLTCNLMZ-IBGZPJMESA-N 1 2 413.430 2.286 20 5 HEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383055 1076506327 /nfs/dbraw/zinc/50/63/27/1076506327.db2.gz RWFFZHDLTCNLMZ-IBGZPJMESA-N 1 2 413.430 2.286 20 5 HEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000745334105 1077805224 /nfs/dbraw/zinc/80/52/24/1077805224.db2.gz CTLBUZICAIDYRV-UHFFFAOYSA-N 1 2 403.460 2.086 20 5 HEBDLO CCOC1CC(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)([NH+]2CCOCC2)C1 ZINC000767167580 1079703460 /nfs/dbraw/zinc/70/34/60/1079703460.db2.gz ZIGXXIRCGUDJOD-FOWTUZBSSA-N 1 2 403.479 2.384 20 5 HEBDLO Cc1nn(Cc2ccc(C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)c(C)c1[N+](=O)[O-] ZINC000767458164 1079883141 /nfs/dbraw/zinc/88/31/41/1079883141.db2.gz AMBBGRQJHVWMEH-KDURUIRLSA-N 1 2 414.462 2.476 20 5 HEBDLO Cc1nn(Cc2ccc(C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)c(C)c1[N+](=O)[O-] ZINC000767458164 1079883143 /nfs/dbraw/zinc/88/31/43/1079883143.db2.gz AMBBGRQJHVWMEH-KDURUIRLSA-N 1 2 414.462 2.476 20 5 HEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785587339 1080062256 /nfs/dbraw/zinc/06/22/56/1080062256.db2.gz MUKWEIMLAXOLIQ-UHFFFAOYSA-N 1 2 411.378 2.363 20 5 HEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000785676139 1080155455 /nfs/dbraw/zinc/15/54/55/1080155455.db2.gz QCIZAWVZANDUDX-WMZOPIPTSA-N 1 2 414.418 2.107 20 5 HEBDLO O=C(OC[C@H]1CNC(c2ccccc2)=NO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768801371 1080778386 /nfs/dbraw/zinc/77/83/86/1080778386.db2.gz DCMUNECQGJSHKB-MRXNPFEDSA-N 1 2 407.386 2.288 20 5 HEBDLO COc1cccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000769582649 1081136013 /nfs/dbraw/zinc/13/60/13/1081136013.db2.gz XCPNHEAYTBWHJM-UHFFFAOYSA-N 1 2 419.459 2.166 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001164701945 719848427 /nfs/dbraw/zinc/84/84/27/719848427.db2.gz NAELMELJKIOABI-SCLBCKFNSA-N 1 2 412.874 2.184 20 5 HEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001164697221 719849069 /nfs/dbraw/zinc/84/90/69/719849069.db2.gz BRMYUJIARLZWHI-UGSOOPFHSA-N 1 2 412.874 2.184 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000769891007 1078645825 /nfs/dbraw/zinc/64/58/25/1078645825.db2.gz ANVWBFWQPZFCSI-CYBMUJFWSA-N 1 2 405.904 2.192 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000769891007 1078645826 /nfs/dbraw/zinc/64/58/26/1078645826.db2.gz ANVWBFWQPZFCSI-CYBMUJFWSA-N 1 2 405.904 2.192 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475351 1078874796 /nfs/dbraw/zinc/87/47/96/1078874796.db2.gz LCLCJBNQQXLIES-KCJUWKMLSA-N 1 2 419.232 2.405 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475351 1078874797 /nfs/dbraw/zinc/87/47/97/1078874797.db2.gz LCLCJBNQQXLIES-KCJUWKMLSA-N 1 2 419.232 2.405 20 5 HEBDLO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770924471 1079082656 /nfs/dbraw/zinc/08/26/56/1079082656.db2.gz IFJUOZUCCZVONB-ZDUSSCGKSA-N 1 2 418.431 2.430 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010737 1079098577 /nfs/dbraw/zinc/09/85/77/1079098577.db2.gz FZBIUXRMIFBCRH-HZPDHXFCSA-N 1 2 420.514 2.265 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010737 1079098581 /nfs/dbraw/zinc/09/85/81/1079098581.db2.gz FZBIUXRMIFBCRH-HZPDHXFCSA-N 1 2 420.514 2.265 20 5 HEBDLO Cc1c[n+]([O-])c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169508943 1079317182 /nfs/dbraw/zinc/31/71/82/1079317182.db2.gz AJDOEXVOAULGPY-AEFFLSMTSA-N 1 2 400.435 2.408 20 5 HEBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771502567 1079361778 /nfs/dbraw/zinc/36/17/78/1079361778.db2.gz RKLYNEPARICBMN-UHFFFAOYSA-N 1 2 413.459 2.362 20 5 HEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000745088266 1077725287 /nfs/dbraw/zinc/72/52/87/1077725287.db2.gz LTQZETYIVWUGOD-AWEZNQCLSA-N 1 2 407.423 2.112 20 5 HEBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000745088266 1077725291 /nfs/dbraw/zinc/72/52/91/1077725291.db2.gz LTQZETYIVWUGOD-AWEZNQCLSA-N 1 2 407.423 2.112 20 5 HEBDLO CCOC1CC(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)([NH+]2CCOCC2)C1 ZINC000767167581 1079703698 /nfs/dbraw/zinc/70/36/98/1079703698.db2.gz ZIGXXIRCGUDJOD-VBKFSLOCSA-N 1 2 403.479 2.384 20 5 HEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2O1 ZINC000785675625 1080155671 /nfs/dbraw/zinc/15/56/71/1080155671.db2.gz JLXXSJDUNDITFK-INIZCTEOSA-N 1 2 422.397 2.057 20 5 HEBDLO O=C(OCCc1nnnn1-c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675518 1080156145 /nfs/dbraw/zinc/15/61/45/1080156145.db2.gz IFNPUYCJHJPGEC-UHFFFAOYSA-N 1 2 405.374 2.156 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000770667480 1078925988 /nfs/dbraw/zinc/92/59/88/1078925988.db2.gz FKIYZPYSJXCMAM-HDMKZQKVSA-N 1 2 405.838 2.356 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000770667480 1078925992 /nfs/dbraw/zinc/92/59/92/1078925992.db2.gz FKIYZPYSJXCMAM-HDMKZQKVSA-N 1 2 405.838 2.356 20 5 HEBDLO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC[NH+](CCc2ccncc2)CC1 ZINC001169679285 1079365318 /nfs/dbraw/zinc/36/53/18/1079365318.db2.gz RLXSDUZICFGFRK-UHFFFAOYSA-N 1 2 412.446 2.152 20 5 HEBDLO CNc1cc(N2CCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)nc[nH+]1 ZINC000742402119 1076837836 /nfs/dbraw/zinc/83/78/36/1076837836.db2.gz FWTMQMJNEONYNX-OAHLLOKOSA-N 1 2 411.466 2.400 20 5 HEBDLO CNc1cc(N2CCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)[nH+]cn1 ZINC000742402119 1076837837 /nfs/dbraw/zinc/83/78/37/1076837837.db2.gz FWTMQMJNEONYNX-OAHLLOKOSA-N 1 2 411.466 2.400 20 5 HEBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)[nH+]c12 ZINC000746540678 1079882462 /nfs/dbraw/zinc/88/24/62/1079882462.db2.gz WJDRJDQGSPPQLO-UHFFFAOYSA-N 1 2 409.446 2.360 20 5 HEBDLO O=[N+]([O-])c1cc(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ccc1Cl ZINC000768555953 1080627126 /nfs/dbraw/zinc/62/71/26/1080627126.db2.gz VKFYJDHPNAUIOM-UHFFFAOYSA-N 1 2 418.885 2.197 20 5 HEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164705600 719861838 /nfs/dbraw/zinc/86/18/38/719861838.db2.gz URACOCTXEIXCEM-KKSFZXQISA-N 1 2 414.462 2.376 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000769891008 1078645751 /nfs/dbraw/zinc/64/57/51/1078645751.db2.gz ANVWBFWQPZFCSI-ZDUSSCGKSA-N 1 2 405.904 2.192 20 5 HEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000769891008 1078645754 /nfs/dbraw/zinc/64/57/54/1078645754.db2.gz ANVWBFWQPZFCSI-ZDUSSCGKSA-N 1 2 405.904 2.192 20 5 HEBDLO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000770299606 1078822191 /nfs/dbraw/zinc/82/21/91/1078822191.db2.gz MDXOCADQPBTOSI-UHFFFAOYSA-N 1 2 418.947 2.251 20 5 HEBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000771162858 1079177798 /nfs/dbraw/zinc/17/77/98/1079177798.db2.gz JEUBGQXGBIPNAQ-UHFFFAOYSA-N 1 2 402.354 2.455 20 5 HEBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000771162858 1079177800 /nfs/dbraw/zinc/17/78/00/1079177800.db2.gz JEUBGQXGBIPNAQ-UHFFFAOYSA-N 1 2 402.354 2.455 20 5 HEBDLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386042 1076509087 /nfs/dbraw/zinc/50/90/87/1076509087.db2.gz UQROSQUXCBGFOE-DNVCBOLYSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386042 1076509092 /nfs/dbraw/zinc/50/90/92/1076509092.db2.gz UQROSQUXCBGFOE-DNVCBOLYSA-N 1 2 413.430 2.366 20 5 HEBDLO CCOC1CC(CNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)([NH+]2CCOCC2)C1 ZINC000767176518 1079710525 /nfs/dbraw/zinc/71/05/25/1079710525.db2.gz YPNSBYSSXQBISV-VBKFSLOCSA-N 1 2 403.479 2.384 20 5 HEBDLO NC(=O)c1cc(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)ccn1 ZINC000772334687 1079827771 /nfs/dbraw/zinc/82/77/71/1079827771.db2.gz XMOHISCDDAYOEG-UHFFFAOYSA-N 1 2 424.417 2.182 20 5 HEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164703444 719852725 /nfs/dbraw/zinc/85/27/25/719852725.db2.gz PVWWNSIEYDOUPA-BTYIYWSLSA-N 1 2 414.462 2.376 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164705661 719871892 /nfs/dbraw/zinc/87/18/92/719871892.db2.gz NNJXKQUIOGQOEM-FOIQADDNSA-N 1 2 422.482 2.010 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912999 721768670 /nfs/dbraw/zinc/76/86/70/721768670.db2.gz STZRCWRSWUMIDY-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912999 721768673 /nfs/dbraw/zinc/76/86/73/721768673.db2.gz STZRCWRSWUMIDY-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769730061 1078518689 /nfs/dbraw/zinc/51/86/89/1078518689.db2.gz RELDLCBETNVDGI-UHFFFAOYSA-N 1 2 418.498 2.456 20 5 HEBDLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769730061 1078518702 /nfs/dbraw/zinc/51/87/02/1078518702.db2.gz RELDLCBETNVDGI-UHFFFAOYSA-N 1 2 418.498 2.456 20 5 HEBDLO Cc1cc(N2CCC[C@H]([NH+]3CCN(c4ccc([N+](=O)[O-])cc4C)CC3)C2=O)n(C)n1 ZINC000770126210 1078741108 /nfs/dbraw/zinc/74/11/08/1078741108.db2.gz KMLSMCUPBLZBBI-IBGZPJMESA-N 1 2 412.494 2.263 20 5 HEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000770298640 1078821500 /nfs/dbraw/zinc/82/15/00/1078821500.db2.gz MJRBJPFIJKXXRE-UHFFFAOYSA-N 1 2 418.947 2.251 20 5 HEBDLO Cc1c[n+]([O-])c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169508947 1079317200 /nfs/dbraw/zinc/31/72/00/1079317200.db2.gz AJDOEXVOAULGPY-SJLPKXTDSA-N 1 2 400.435 2.408 20 5 HEBDLO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000771730682 1079468190 /nfs/dbraw/zinc/46/81/90/1079468190.db2.gz NCOYNNVPCUQFMB-QGZVFWFLSA-N 1 2 417.503 2.458 20 5 HEBDLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384713 1076508866 /nfs/dbraw/zinc/50/88/66/1076508866.db2.gz DPPZJUSISUTBJC-KXBFYZLASA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384713 1076508872 /nfs/dbraw/zinc/50/88/72/1076508872.db2.gz DPPZJUSISUTBJC-KXBFYZLASA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386044 1076509280 /nfs/dbraw/zinc/50/92/80/1076509280.db2.gz UQROSQUXCBGFOE-KXBFYZLASA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741386044 1076509289 /nfs/dbraw/zinc/50/92/89/1076509289.db2.gz UQROSQUXCBGFOE-KXBFYZLASA-N 1 2 413.430 2.366 20 5 HEBDLO O=C(NCC(F)(F)F)C1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742144821 1076756718 /nfs/dbraw/zinc/75/67/18/1076756718.db2.gz GSHOBFZJBBRUQS-UHFFFAOYSA-N 1 2 412.372 2.201 20 5 HEBDLO CCc1nsc(N2CCC[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000743409152 1077048136 /nfs/dbraw/zinc/04/81/36/1077048136.db2.gz FBXNRJGGDBTLJA-UHFFFAOYSA-N 1 2 414.495 2.437 20 5 HEBDLO CCc1nsc(N2CCC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000743409152 1077048143 /nfs/dbraw/zinc/04/81/43/1077048143.db2.gz FBXNRJGGDBTLJA-UHFFFAOYSA-N 1 2 414.495 2.437 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744407134 1077381817 /nfs/dbraw/zinc/38/18/17/1077381817.db2.gz LTDFPMCRJVCNAP-ZDUSSCGKSA-N 1 2 400.395 2.331 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744407134 1077381822 /nfs/dbraw/zinc/38/18/22/1077381822.db2.gz LTDFPMCRJVCNAP-ZDUSSCGKSA-N 1 2 400.395 2.331 20 5 HEBDLO O=C1[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406309 1077382211 /nfs/dbraw/zinc/38/22/11/1077382211.db2.gz BNAKMTARHAVUKD-GUYCJALGSA-N 1 2 412.406 2.190 20 5 HEBDLO O=C1[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406309 1077382219 /nfs/dbraw/zinc/38/22/19/1077382219.db2.gz BNAKMTARHAVUKD-GUYCJALGSA-N 1 2 412.406 2.190 20 5 HEBDLO O=C(OCCn1cc[nH+]c1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000771843274 1079533667 /nfs/dbraw/zinc/53/36/67/1079533667.db2.gz NLABBSWLTLJUKS-UHFFFAOYSA-N 1 2 417.399 2.416 20 5 HEBDLO C[C@@H](CONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000767159332 1079720516 /nfs/dbraw/zinc/72/05/16/1079720516.db2.gz HQSJIMOBXJNAEI-LBPRGKRZSA-N 1 2 405.411 2.355 20 5 HEBDLO COc1cccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000767637276 1080008400 /nfs/dbraw/zinc/00/84/00/1080008400.db2.gz JCJJESYLMLQDIQ-UHFFFAOYSA-N 1 2 422.482 2.276 20 5 HEBDLO COc1cccc([C@H]2CN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC[NH2+]2)c1 ZINC001169974022 1080057527 /nfs/dbraw/zinc/05/75/27/1080057527.db2.gz HDRIYONXLONFJX-QUCCMNQESA-N 1 2 410.430 2.270 20 5 HEBDLO CS(=O)(=O)Cc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000785676798 1080156942 /nfs/dbraw/zinc/15/69/42/1080156942.db2.gz ZDTZIVSDKMGXNP-UHFFFAOYSA-N 1 2 422.444 2.139 20 5 HEBDLO COCc1ccccc1CNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785679069 1080157962 /nfs/dbraw/zinc/15/79/62/1080157962.db2.gz VFSDRNYEXPOLGI-UHFFFAOYSA-N 1 2 424.413 2.400 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164705597 719861779 /nfs/dbraw/zinc/86/17/79/719861779.db2.gz URACOCTXEIXCEM-HRAATJIYSA-N 1 2 414.462 2.376 20 5 HEBDLO O=[N+]([O-])c1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164828831 720397540 /nfs/dbraw/zinc/39/75/40/720397540.db2.gz LLTVNPTUMBUYAD-UHFFFAOYSA-N 1 2 424.799 2.435 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912752 721769331 /nfs/dbraw/zinc/76/93/31/721769331.db2.gz PKRLQRVOKBYLKP-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912752 721769332 /nfs/dbraw/zinc/76/93/32/721769332.db2.gz PKRLQRVOKBYLKP-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475359 1078874890 /nfs/dbraw/zinc/87/48/90/1078874890.db2.gz LCLCJBNQQXLIES-LDYMZIIASA-N 1 2 419.232 2.405 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475359 1078874891 /nfs/dbraw/zinc/87/48/91/1078874891.db2.gz LCLCJBNQQXLIES-LDYMZIIASA-N 1 2 419.232 2.405 20 5 HEBDLO COc1cncc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC2)c1 ZINC001169468289 1079309042 /nfs/dbraw/zinc/30/90/42/1079309042.db2.gz AHFHGNVLJCVNJP-UHFFFAOYSA-N 1 2 408.418 2.147 20 5 HEBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879415 1079452683 /nfs/dbraw/zinc/45/26/83/1079452683.db2.gz IKQXTJVLMYWCJD-WFASDCNBSA-N 1 2 403.273 2.203 20 5 HEBDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879415 1079452688 /nfs/dbraw/zinc/45/26/88/1079452688.db2.gz IKQXTJVLMYWCJD-WFASDCNBSA-N 1 2 403.273 2.203 20 5 HEBDLO NC(=O)c1ccc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000741352475 1076493152 /nfs/dbraw/zinc/49/31/52/1076493152.db2.gz HIXNQPCOXOENAG-SFHVURJKSA-N 1 2 413.430 2.028 20 5 HEBDLO NC(=O)c1ccc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000741352475 1076493154 /nfs/dbraw/zinc/49/31/54/1076493154.db2.gz HIXNQPCOXOENAG-SFHVURJKSA-N 1 2 413.430 2.028 20 5 HEBDLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384709 1076508827 /nfs/dbraw/zinc/50/88/27/1076508827.db2.gz DPPZJUSISUTBJC-HNAYVOBHSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741384709 1076508834 /nfs/dbraw/zinc/50/88/34/1076508834.db2.gz DPPZJUSISUTBJC-HNAYVOBHSA-N 1 2 413.430 2.366 20 5 HEBDLO O=C(OCc1ccccc1)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000746520441 1079656601 /nfs/dbraw/zinc/65/66/01/1079656601.db2.gz NGQSZFNECPENJX-LJQANCHMSA-N 1 2 415.446 2.289 20 5 HEBDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1csc([N+](=O)[O-])c1 ZINC000767538640 1079941991 /nfs/dbraw/zinc/94/19/91/1079941991.db2.gz OXIDAYIMJWSKLY-UHFFFAOYSA-N 1 2 404.448 2.224 20 5 HEBDLO O=C(NCc1cnc(N2CCOCC2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000786153081 1080428362 /nfs/dbraw/zinc/42/83/62/1080428362.db2.gz RBLZJZBDLDFBLT-UHFFFAOYSA-N 1 2 414.447 2.004 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786994699 1080903909 /nfs/dbraw/zinc/90/39/09/1080903909.db2.gz BDUWNRUYSBRMJP-VQIMIIECSA-N 1 2 419.478 2.221 20 5 HEBDLO COc1ccc(-c2ccc(CN3CC[NH+](CC[S@](C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000769477949 1081093140 /nfs/dbraw/zinc/09/31/40/1081093140.db2.gz BGILKIPKOBKAIZ-NDEPHWFRSA-N 1 2 407.492 2.360 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912753 721768847 /nfs/dbraw/zinc/76/88/47/721768847.db2.gz PKRLQRVOKBYLKP-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912753 721768849 /nfs/dbraw/zinc/76/88/49/721768849.db2.gz PKRLQRVOKBYLKP-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000746321448 1078858432 /nfs/dbraw/zinc/85/84/32/1078858432.db2.gz RZOYRNAOSOTZGY-UHFFFAOYSA-N 1 2 412.437 2.233 20 5 HEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000746321448 1078858433 /nfs/dbraw/zinc/85/84/33/1078858433.db2.gz RZOYRNAOSOTZGY-UHFFFAOYSA-N 1 2 412.437 2.233 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475355 1078874837 /nfs/dbraw/zinc/87/48/37/1078874837.db2.gz LCLCJBNQQXLIES-KWQFWETISA-N 1 2 419.232 2.405 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475355 1078874841 /nfs/dbraw/zinc/87/48/41/1078874841.db2.gz LCLCJBNQQXLIES-KWQFWETISA-N 1 2 419.232 2.405 20 5 HEBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000746409585 1078905811 /nfs/dbraw/zinc/90/58/11/1078905811.db2.gz YDJRVRGAPGCQRG-CYBMUJFWSA-N 1 2 405.405 2.209 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010736 1079098442 /nfs/dbraw/zinc/09/84/42/1079098442.db2.gz FZBIUXRMIFBCRH-HOTGVXAUSA-N 1 2 420.514 2.265 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010736 1079098451 /nfs/dbraw/zinc/09/84/51/1079098451.db2.gz FZBIUXRMIFBCRH-HOTGVXAUSA-N 1 2 420.514 2.265 20 5 HEBDLO COC(=O)C(C(=O)OC)c1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC001169010396 1079098515 /nfs/dbraw/zinc/09/85/15/1079098515.db2.gz DIWNUEJLHYBRAU-UHFFFAOYSA-N 1 2 412.402 2.327 20 5 HEBDLO C[C@@H]1CN(C(=O)Cc2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000771226817 1079217013 /nfs/dbraw/zinc/21/70/13/1079217013.db2.gz YGKARBHWPOAFOA-BETUJISGSA-N 1 2 412.406 2.009 20 5 HEBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503844 1079364303 /nfs/dbraw/zinc/36/43/03/1079364303.db2.gz ZTURMPJPDRLZHH-HNNXBMFYSA-N 1 2 413.459 2.230 20 5 HEBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771503844 1079364307 /nfs/dbraw/zinc/36/43/07/1079364307.db2.gz ZTURMPJPDRLZHH-HNNXBMFYSA-N 1 2 413.459 2.230 20 5 HEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771562324 1079385718 /nfs/dbraw/zinc/38/57/18/1079385718.db2.gz PXZLSHYEPPTELR-NSHDSACASA-N 1 2 402.220 2.043 20 5 HEBDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000738406935 1075994498 /nfs/dbraw/zinc/99/44/98/1075994498.db2.gz CZGXFFQLGVODDS-UHFFFAOYSA-N 1 2 422.482 2.177 20 5 HEBDLO O=C1[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406308 1077382296 /nfs/dbraw/zinc/38/22/96/1077382296.db2.gz BNAKMTARHAVUKD-DYVFJYSZSA-N 1 2 412.406 2.190 20 5 HEBDLO O=C1[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000744406308 1077382302 /nfs/dbraw/zinc/38/23/02/1077382302.db2.gz BNAKMTARHAVUKD-DYVFJYSZSA-N 1 2 412.406 2.190 20 5 HEBDLO COc1ccc(OCCOC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000745109353 1077744261 /nfs/dbraw/zinc/74/42/61/1077744261.db2.gz BMXJRFWRXUPNHU-HXUWFJFHSA-N 1 2 416.430 2.426 20 5 HEBDLO COc1ccc(OCCOC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000745109353 1077744267 /nfs/dbraw/zinc/74/42/67/1077744267.db2.gz BMXJRFWRXUPNHU-HXUWFJFHSA-N 1 2 416.430 2.426 20 5 HEBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000767655604 1080023694 /nfs/dbraw/zinc/02/36/94/1080023694.db2.gz HDFFIMQKXOUFPV-ZDUSSCGKSA-N 1 2 423.451 2.422 20 5 HEBDLO CCOc1ccnc(N2CCC[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n1 ZINC000767801313 1080104904 /nfs/dbraw/zinc/10/49/04/1080104904.db2.gz JFZDICQAUGKYSD-UHFFFAOYSA-N 1 2 424.465 2.212 20 5 HEBDLO CCOc1ccnc(N2CCC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n1 ZINC000767801313 1080104913 /nfs/dbraw/zinc/10/49/13/1080104913.db2.gz JFZDICQAUGKYSD-UHFFFAOYSA-N 1 2 424.465 2.212 20 5 HEBDLO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000804367299 1080498211 /nfs/dbraw/zinc/49/82/11/1080498211.db2.gz KNCSPJRHIJFPQJ-INIZCTEOSA-N 1 2 412.324 2.348 20 5 HEBDLO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164668572 719493225 /nfs/dbraw/zinc/49/32/25/719493225.db2.gz QWIJKHUGKIZWMT-UHFFFAOYSA-N 1 2 402.426 2.239 20 5 HEBDLO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164668572 719493232 /nfs/dbraw/zinc/49/32/32/719493232.db2.gz QWIJKHUGKIZWMT-UHFFFAOYSA-N 1 2 402.426 2.239 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001164701944 719848574 /nfs/dbraw/zinc/84/85/74/719848574.db2.gz NAELMELJKIOABI-FZKQIMNGSA-N 1 2 412.874 2.184 20 5 HEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164702112 719849422 /nfs/dbraw/zinc/84/94/22/719849422.db2.gz NYIXIHNSYCPHLG-UWJYYQICSA-N 1 2 414.462 2.376 20 5 HEBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000745992169 1078723761 /nfs/dbraw/zinc/72/37/61/1078723761.db2.gz XBMGRDYXUUNZHB-ZDUSSCGKSA-N 1 2 408.455 2.483 20 5 HEBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000745992169 1078723768 /nfs/dbraw/zinc/72/37/68/1078723768.db2.gz XBMGRDYXUUNZHB-ZDUSSCGKSA-N 1 2 408.455 2.483 20 5 HEBDLO CS(=O)(=O)c1cc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC001169157931 1079168632 /nfs/dbraw/zinc/16/86/32/1079168632.db2.gz CWQRNSRHWOKODU-UHFFFAOYSA-N 1 2 414.443 2.292 20 5 HEBDLO COc1ncc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169512238 1079318353 /nfs/dbraw/zinc/31/83/53/1079318353.db2.gz LJEMVTVXFRYVDV-GOEBONIOSA-N 1 2 401.423 2.265 20 5 HEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1OC ZINC001169665898 1079361226 /nfs/dbraw/zinc/36/12/26/1079361226.db2.gz KFVXRSURACEFRC-UHFFFAOYSA-N 1 2 414.462 2.398 20 5 HEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879412 1079452574 /nfs/dbraw/zinc/45/25/74/1079452574.db2.gz IKQXTJVLMYWCJD-IUODEOHRSA-N 1 2 403.273 2.203 20 5 HEBDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879412 1079452579 /nfs/dbraw/zinc/45/25/79/1079452579.db2.gz IKQXTJVLMYWCJD-IUODEOHRSA-N 1 2 403.273 2.203 20 5 HEBDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C(=O)OC)c1 ZINC000766896683 1079500242 /nfs/dbraw/zinc/50/02/42/1079500242.db2.gz RDIFNDKTZDBWBQ-UHFFFAOYSA-N 1 2 413.430 2.490 20 5 HEBDLO NC(=O)c1ccc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000741352473 1076493175 /nfs/dbraw/zinc/49/31/75/1076493175.db2.gz HIXNQPCOXOENAG-GOSISDBHSA-N 1 2 413.430 2.028 20 5 HEBDLO NC(=O)c1ccc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000741352473 1076493176 /nfs/dbraw/zinc/49/31/76/1076493176.db2.gz HIXNQPCOXOENAG-GOSISDBHSA-N 1 2 413.430 2.028 20 5 HEBDLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccccc1[N+](=O)[O-] ZINC000741356374 1076495171 /nfs/dbraw/zinc/49/51/71/1076495171.db2.gz QLRPFXVRQKPFLA-KRWDZBQOSA-N 1 2 413.430 2.368 20 5 HEBDLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccccc1[N+](=O)[O-] ZINC000741356374 1076495172 /nfs/dbraw/zinc/49/51/72/1076495172.db2.gz QLRPFXVRQKPFLA-KRWDZBQOSA-N 1 2 413.430 2.368 20 5 HEBDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742302120 1076822849 /nfs/dbraw/zinc/82/28/49/1076822849.db2.gz GPKMRHQOSMITIW-OAHLLOKOSA-N 1 2 422.482 2.223 20 5 HEBDLO CN(C)c1cc(COC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc[nH+]1 ZINC000767567821 1079977495 /nfs/dbraw/zinc/97/74/95/1079977495.db2.gz XUZGRGHHQFCTTH-UHFFFAOYSA-N 1 2 404.335 2.092 20 5 HEBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000767655601 1080023458 /nfs/dbraw/zinc/02/34/58/1080023458.db2.gz HDFFIMQKXOUFPV-CYBMUJFWSA-N 1 2 423.451 2.422 20 5 HEBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)NCC(=O)c1ccccc1 ZINC000785676935 1080156844 /nfs/dbraw/zinc/15/68/44/1080156844.db2.gz ITRIDVLDAUAERH-AWEZNQCLSA-N 1 2 422.397 2.325 20 5 HEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000786780506 1080820243 /nfs/dbraw/zinc/82/02/43/1080820243.db2.gz AREMUJWWTAEJOV-UHFFFAOYSA-N 1 2 418.475 2.444 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665475 1078924495 /nfs/dbraw/zinc/92/44/95/1078924495.db2.gz FKIYZPYSJXCMAM-RLFYNMQTSA-N 1 2 405.838 2.356 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665475 1078924501 /nfs/dbraw/zinc/92/45/01/1078924501.db2.gz FKIYZPYSJXCMAM-RLFYNMQTSA-N 1 2 405.838 2.356 20 5 HEBDLO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770924470 1079082719 /nfs/dbraw/zinc/08/27/19/1079082719.db2.gz IFJUOZUCCZVONB-CYBMUJFWSA-N 1 2 418.431 2.430 20 5 HEBDLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741379789 1076504746 /nfs/dbraw/zinc/50/47/46/1076504746.db2.gz AKXYOIBIPTYAEA-SFHVURJKSA-N 1 2 417.393 2.117 20 5 HEBDLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000741379789 1076504752 /nfs/dbraw/zinc/50/47/52/1076504752.db2.gz AKXYOIBIPTYAEA-SFHVURJKSA-N 1 2 417.393 2.117 20 5 HEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000742270874 1076806935 /nfs/dbraw/zinc/80/69/35/1076806935.db2.gz NKZXDXIEKSYRNW-UHFFFAOYSA-N 1 2 406.302 2.320 20 5 HEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000745386775 1077816512 /nfs/dbraw/zinc/81/65/12/1077816512.db2.gz YNCGLTXUURVILT-UHFFFAOYSA-N 1 2 403.460 2.466 20 5 HEBDLO O=C(C[NH+]1CC(c2nc3ccccc3[nH]2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766934779 1079512793 /nfs/dbraw/zinc/51/27/93/1079512793.db2.gz DVVBFRZOBQDVIK-UHFFFAOYSA-N 1 2 420.473 2.219 20 5 HEBDLO CN(C)c1cc(COC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc[nH+]1 ZINC000767472394 1079872445 /nfs/dbraw/zinc/87/24/45/1079872445.db2.gz FOWHBBJLFDAOTP-ZDUSSCGKSA-N 1 2 402.382 2.291 20 5 HEBDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1ccc([N+](=O)[O-])cc1F ZINC000767538623 1079942141 /nfs/dbraw/zinc/94/21/41/1079942141.db2.gz OPMCHBLPNCFISN-UHFFFAOYSA-N 1 2 416.409 2.301 20 5 HEBDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000767539589 1079943947 /nfs/dbraw/zinc/94/39/47/1079943947.db2.gz SHNIMYHXTWBPND-UHFFFAOYSA-N 1 2 416.409 2.301 20 5 HEBDLO Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000772571789 1079972857 /nfs/dbraw/zinc/97/28/57/1079972857.db2.gz LMZSSCNRXNGYFE-SFHVURJKSA-N 1 2 410.434 2.100 20 5 HEBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000767879555 1080197437 /nfs/dbraw/zinc/19/74/37/1080197437.db2.gz FGZYCRNLOBMBAF-UHFFFAOYSA-N 1 2 414.487 2.379 20 5 HEBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000767879555 1080197441 /nfs/dbraw/zinc/19/74/41/1080197441.db2.gz FGZYCRNLOBMBAF-UHFFFAOYSA-N 1 2 414.487 2.379 20 5 HEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cs1 ZINC000768851995 1080805463 /nfs/dbraw/zinc/80/54/63/1080805463.db2.gz HFTYHPDCLMQADR-UHFFFAOYSA-N 1 2 403.526 2.217 20 5 HEBDLO Cc1cn(C[N@@H+]2CCOC3(CCOCC3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000768912962 1080853672 /nfs/dbraw/zinc/85/36/72/1080853672.db2.gz MWYRQECZFDDVDX-UHFFFAOYSA-N 1 2 402.451 2.085 20 5 HEBDLO Cc1cn(C[N@H+]2CCOC3(CCOCC3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000768912962 1080853674 /nfs/dbraw/zinc/85/36/74/1080853674.db2.gz MWYRQECZFDDVDX-UHFFFAOYSA-N 1 2 402.451 2.085 20 5 HEBDLO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001169664947 1079360883 /nfs/dbraw/zinc/36/08/83/1079360883.db2.gz BSXUVIUHNCYOSY-UHFFFAOYSA-N 1 2 406.446 2.176 20 5 HEBDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879411 1079452726 /nfs/dbraw/zinc/45/27/26/1079452726.db2.gz IKQXTJVLMYWCJD-DOMZBBRYSA-N 1 2 403.273 2.203 20 5 HEBDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001169879411 1079452736 /nfs/dbraw/zinc/45/27/36/1079452736.db2.gz IKQXTJVLMYWCJD-DOMZBBRYSA-N 1 2 403.273 2.203 20 5 HEBDLO C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)S1 ZINC000742192186 1076782312 /nfs/dbraw/zinc/78/23/12/1076782312.db2.gz XBTDVFWCFNFCSK-CYBMUJFWSA-N 1 2 400.464 2.030 20 5 HEBDLO O=C(C[N@@H+]1CCOC2(CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744406041 1077381966 /nfs/dbraw/zinc/38/19/66/1077381966.db2.gz DDFMWLAVAUSVLR-UHFFFAOYSA-N 1 2 402.495 2.279 20 5 HEBDLO O=C(C[N@H+]1CCOC2(CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744406041 1077381974 /nfs/dbraw/zinc/38/19/74/1077381974.db2.gz DDFMWLAVAUSVLR-UHFFFAOYSA-N 1 2 402.495 2.279 20 5 HEBDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000745101966 1077731266 /nfs/dbraw/zinc/73/12/66/1077731266.db2.gz SIIOMOXGDYLIEA-IBGZPJMESA-N 1 2 415.402 2.498 20 5 HEBDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000745101966 1077731272 /nfs/dbraw/zinc/73/12/72/1077731272.db2.gz SIIOMOXGDYLIEA-IBGZPJMESA-N 1 2 415.402 2.498 20 5 HEBDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000745101969 1077731402 /nfs/dbraw/zinc/73/14/02/1077731402.db2.gz SIIOMOXGDYLIEA-LJQANCHMSA-N 1 2 415.402 2.498 20 5 HEBDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000745101969 1077731410 /nfs/dbraw/zinc/73/14/10/1077731410.db2.gz SIIOMOXGDYLIEA-LJQANCHMSA-N 1 2 415.402 2.498 20 5 HEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164702109 719849473 /nfs/dbraw/zinc/84/94/73/719849473.db2.gz NYIXIHNSYCPHLG-UTKZUKDTSA-N 1 2 414.462 2.376 20 5 HEBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914855 721786112 /nfs/dbraw/zinc/78/61/12/721786112.db2.gz GKLVIYIWXFWNJS-OAQYLSRUSA-N 1 2 413.478 2.109 20 5 HEBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914855 721786114 /nfs/dbraw/zinc/78/61/14/721786114.db2.gz GKLVIYIWXFWNJS-OAQYLSRUSA-N 1 2 413.478 2.109 20 5 HEBDLO O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382217 1076506069 /nfs/dbraw/zinc/50/60/69/1076506069.db2.gz HFYUOGMFIZDJTN-IBGZPJMESA-N 1 2 414.414 2.406 20 5 HEBDLO O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382217 1076506075 /nfs/dbraw/zinc/50/60/75/1076506075.db2.gz HFYUOGMFIZDJTN-IBGZPJMESA-N 1 2 414.414 2.406 20 5 HEBDLO CCc1cc(N2CC[NH+](CC[S@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000741750477 1076618690 /nfs/dbraw/zinc/61/86/90/1076618690.db2.gz VVTVNDMFTLNKBQ-NDEPHWFRSA-N 1 2 403.508 2.115 20 5 HEBDLO COc1cccc([C@@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC[NH2+]2)c1 ZINC001169974018 1080056983 /nfs/dbraw/zinc/05/69/83/1080056983.db2.gz HDRIYONXLONFJX-AZUAARDMSA-N 1 2 410.430 2.270 20 5 HEBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000785676138 1080155886 /nfs/dbraw/zinc/15/58/86/1080155886.db2.gz QCIZAWVZANDUDX-SJLPKXTDSA-N 1 2 414.418 2.107 20 5 HEBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)NCC(=O)c1ccccc1 ZINC000785676938 1080156832 /nfs/dbraw/zinc/15/68/32/1080156832.db2.gz ITRIDVLDAUAERH-CQSZACIVSA-N 1 2 422.397 2.325 20 5 HEBDLO COCCNC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768237168 1080413904 /nfs/dbraw/zinc/41/39/04/1080413904.db2.gz LCIKPNPNBSFLOV-UHFFFAOYSA-N 1 2 400.273 2.332 20 5 HEBDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)c1 ZINC000787125869 1081034687 /nfs/dbraw/zinc/03/46/87/1081034687.db2.gz KSSZTKDBSQZIFW-UHFFFAOYSA-N 1 2 400.435 2.022 20 5 HEBDLO O=[N+]([O-])c1c(Cl)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912042 721769051 /nfs/dbraw/zinc/76/90/51/721769051.db2.gz JQLIXIWICASVNE-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1c(Cl)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912042 721769053 /nfs/dbraw/zinc/76/90/53/721769053.db2.gz JQLIXIWICASVNE-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1c(Cl)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912040 721769364 /nfs/dbraw/zinc/76/93/64/721769364.db2.gz JQLIXIWICASVNE-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1c(Cl)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912040 721769369 /nfs/dbraw/zinc/76/93/69/721769369.db2.gz JQLIXIWICASVNE-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO CC(=O)N1CCN(c2ccc(C(=O)OCc3cccc4[nH+]ccn43)cc2[N+](=O)[O-])CC1 ZINC000770156305 1078757073 /nfs/dbraw/zinc/75/70/73/1078757073.db2.gz HZPYXHDYEZIJKV-UHFFFAOYSA-N 1 2 423.429 2.268 20 5 HEBDLO CNC(=O)CCOC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000770286084 1078807944 /nfs/dbraw/zinc/80/79/44/1078807944.db2.gz JGGFLMIAJDRYRN-UHFFFAOYSA-N 1 2 400.273 2.474 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010738 1079098484 /nfs/dbraw/zinc/09/84/84/1079098484.db2.gz FZBIUXRMIFBCRH-JKSUJKDBSA-N 1 2 420.514 2.265 20 5 HEBDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ncnn12 ZINC001169010738 1079098490 /nfs/dbraw/zinc/09/84/90/1079098490.db2.gz FZBIUXRMIFBCRH-JKSUJKDBSA-N 1 2 420.514 2.265 20 5 HEBDLO Nc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000766585868 1079135808 /nfs/dbraw/zinc/13/58/08/1079135808.db2.gz YIEASBOGVDIYIP-UHFFFAOYSA-N 1 2 403.870 2.382 20 5 HEBDLO Cc1c[n+]([O-])c(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169508945 1079317112 /nfs/dbraw/zinc/31/71/12/1079317112.db2.gz AJDOEXVOAULGPY-FUHWJXTLSA-N 1 2 400.435 2.408 20 5 HEBDLO Cc1c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000737625763 1075914139 /nfs/dbraw/zinc/91/41/39/1075914139.db2.gz FFAGUYZHUSAICP-HNNXBMFYSA-N 1 2 406.439 2.447 20 5 HEBDLO Cc1cc(S(=O)(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc([N+](=O)[O-])c1F ZINC000771779837 1079502587 /nfs/dbraw/zinc/50/25/87/1079502587.db2.gz HAEAXWFJAFQDIA-AWEZNQCLSA-N 1 2 415.487 2.354 20 5 HEBDLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389694 1076497196 /nfs/dbraw/zinc/49/71/96/1076497196.db2.gz XENBPCTWCCKAIG-DNVCBOLYSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389694 1076497197 /nfs/dbraw/zinc/49/71/97/1076497197.db2.gz XENBPCTWCCKAIG-DNVCBOLYSA-N 1 2 413.430 2.366 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741384523 1076508730 /nfs/dbraw/zinc/50/87/30/1076508730.db2.gz PMQZRHMERDEVOZ-IBGZPJMESA-N 1 2 413.430 2.286 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741384523 1076508732 /nfs/dbraw/zinc/50/87/32/1076508732.db2.gz PMQZRHMERDEVOZ-IBGZPJMESA-N 1 2 413.430 2.286 20 5 HEBDLO O=C(Nc1nncs1)C1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742145991 1076758217 /nfs/dbraw/zinc/75/82/17/1076758217.db2.gz IINIPMPWVCSTJD-UHFFFAOYSA-N 1 2 414.451 2.013 20 5 HEBDLO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000742279912 1076809347 /nfs/dbraw/zinc/80/93/47/1076809347.db2.gz ZUVQGTMNLCEIOF-UHFFFAOYSA-N 1 2 404.286 2.074 20 5 HEBDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742302115 1076822876 /nfs/dbraw/zinc/82/28/76/1076822876.db2.gz GPKMRHQOSMITIW-HNNXBMFYSA-N 1 2 422.482 2.223 20 5 HEBDLO COc1ccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c([N+](=O)[O-])c1 ZINC000743839614 1077140247 /nfs/dbraw/zinc/14/02/47/1077140247.db2.gz OLFPMWMREDTCAU-UHFFFAOYSA-N 1 2 403.395 2.108 20 5 HEBDLO CN(C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000744408086 1077382480 /nfs/dbraw/zinc/38/24/80/1077382480.db2.gz WFLCQEURXAYAHY-ZDUSSCGKSA-N 1 2 400.395 2.047 20 5 HEBDLO CN(C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000744408086 1077382489 /nfs/dbraw/zinc/38/24/89/1077382489.db2.gz WFLCQEURXAYAHY-ZDUSSCGKSA-N 1 2 400.395 2.047 20 5 HEBDLO O=C(OCCn1cnc2ccccc2c1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676322 1080154699 /nfs/dbraw/zinc/15/46/99/1080154699.db2.gz FEKGBRKXZJDFCH-UHFFFAOYSA-N 1 2 405.370 2.347 20 5 HEBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746641189 1081021608 /nfs/dbraw/zinc/02/16/08/1081021608.db2.gz SNPFTRNPVXEINQ-UHFFFAOYSA-N 1 2 412.402 2.110 20 5 HEBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991315 1078723098 /nfs/dbraw/zinc/72/30/98/1078723098.db2.gz OBJVQFCHDOIAJK-MRXNPFEDSA-N 1 2 404.467 2.425 20 5 HEBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991315 1078723101 /nfs/dbraw/zinc/72/31/01/1078723101.db2.gz OBJVQFCHDOIAJK-MRXNPFEDSA-N 1 2 404.467 2.425 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475339 1078874865 /nfs/dbraw/zinc/87/48/65/1078874865.db2.gz LCLCJBNQQXLIES-GZMMTYOYSA-N 1 2 419.232 2.405 20 5 HEBDLO COc1c(Br)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000770475339 1078874866 /nfs/dbraw/zinc/87/48/66/1078874866.db2.gz LCLCJBNQQXLIES-GZMMTYOYSA-N 1 2 419.232 2.405 20 5 HEBDLO COc1ccc(C[N@H+](C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1O ZINC000746454921 1078980155 /nfs/dbraw/zinc/98/01/55/1078980155.db2.gz ZNVHEFNHSINDSB-UHFFFAOYSA-N 1 2 414.462 2.090 20 5 HEBDLO COc1ccc(C[N@@H+](C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1O ZINC000746454921 1078980175 /nfs/dbraw/zinc/98/01/75/1078980175.db2.gz ZNVHEFNHSINDSB-UHFFFAOYSA-N 1 2 414.462 2.090 20 5 HEBDLO Cc1c[n+]([O-])c(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169508949 1079317189 /nfs/dbraw/zinc/31/71/89/1079317189.db2.gz AJDOEXVOAULGPY-WMZOPIPTSA-N 1 2 400.435 2.408 20 5 HEBDLO CCC(CC)[C@H](CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000771730591 1079468217 /nfs/dbraw/zinc/46/82/17/1079468217.db2.gz NCOYNNVPCUQFMB-KRWDZBQOSA-N 1 2 417.503 2.458 20 5 HEBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000065252771 1075906179 /nfs/dbraw/zinc/90/61/79/1075906179.db2.gz ZPFHXVHUGGCVFE-KGLIPLIRSA-N 1 2 420.466 2.279 20 5 HEBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000065252771 1075906192 /nfs/dbraw/zinc/90/61/92/1075906192.db2.gz ZPFHXVHUGGCVFE-KGLIPLIRSA-N 1 2 420.466 2.279 20 5 HEBDLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccccc1[N+](=O)[O-] ZINC000741356377 1076495201 /nfs/dbraw/zinc/49/52/01/1076495201.db2.gz QLRPFXVRQKPFLA-QGZVFWFLSA-N 1 2 413.430 2.368 20 5 HEBDLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccccc1[N+](=O)[O-] ZINC000741356377 1076495202 /nfs/dbraw/zinc/49/52/02/1076495202.db2.gz QLRPFXVRQKPFLA-QGZVFWFLSA-N 1 2 413.430 2.368 20 5 HEBDLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389696 1076497089 /nfs/dbraw/zinc/49/70/89/1076497089.db2.gz XENBPCTWCCKAIG-HNAYVOBHSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389696 1076497095 /nfs/dbraw/zinc/49/70/95/1076497095.db2.gz XENBPCTWCCKAIG-HNAYVOBHSA-N 1 2 413.430 2.366 20 5 HEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000741983324 1076703232 /nfs/dbraw/zinc/70/32/32/1076703232.db2.gz XOQDSFMNOPJBHV-UHFFFAOYSA-N 1 2 400.483 2.341 20 5 HEBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000742254430 1076810173 /nfs/dbraw/zinc/81/01/73/1076810173.db2.gz DJJPQKOJCZQOOV-SFHVURJKSA-N 1 2 408.480 2.171 20 5 HEBDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000767538787 1079940821 /nfs/dbraw/zinc/94/08/21/1079940821.db2.gz PBUQLYYADOHGPW-UHFFFAOYSA-N 1 2 412.446 2.205 20 5 HEBDLO Cc1c(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000767539417 1079944002 /nfs/dbraw/zinc/94/40/02/1079944002.db2.gz RFWKTHQWSDNBAE-UHFFFAOYSA-N 1 2 412.446 2.470 20 5 HEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000767681911 1080037842 /nfs/dbraw/zinc/03/78/42/1080037842.db2.gz DPFDGURYCZXREF-INIZCTEOSA-N 1 2 413.434 2.289 20 5 HEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001164705663 719871742 /nfs/dbraw/zinc/87/17/42/719871742.db2.gz NNJXKQUIOGQOEM-QRWLVFNGSA-N 1 2 422.482 2.010 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665473 1078924638 /nfs/dbraw/zinc/92/46/38/1078924638.db2.gz FKIYZPYSJXCMAM-MPGHIAIKSA-N 1 2 405.838 2.356 20 5 HEBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665473 1078924639 /nfs/dbraw/zinc/92/46/39/1078924639.db2.gz FKIYZPYSJXCMAM-MPGHIAIKSA-N 1 2 405.838 2.356 20 5 HEBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000741982276 1076702208 /nfs/dbraw/zinc/70/22/08/1076702208.db2.gz NBLZNPMYCPYXIY-UHFFFAOYSA-N 1 2 400.483 2.378 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744407132 1077381900 /nfs/dbraw/zinc/38/19/00/1077381900.db2.gz LTDFPMCRJVCNAP-CYBMUJFWSA-N 1 2 400.395 2.331 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744407132 1077381908 /nfs/dbraw/zinc/38/19/08/1077381908.db2.gz LTDFPMCRJVCNAP-CYBMUJFWSA-N 1 2 400.395 2.331 20 5 HEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000744408085 1077382567 /nfs/dbraw/zinc/38/25/67/1077382567.db2.gz WFLCQEURXAYAHY-CYBMUJFWSA-N 1 2 400.395 2.047 20 5 HEBDLO CN(C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000744408085 1077382574 /nfs/dbraw/zinc/38/25/74/1077382574.db2.gz WFLCQEURXAYAHY-CYBMUJFWSA-N 1 2 400.395 2.047 20 5 HEBDLO COc1ccc(OCCOC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000745109352 1077744129 /nfs/dbraw/zinc/74/41/29/1077744129.db2.gz BMXJRFWRXUPNHU-FQEVSTJZSA-N 1 2 416.430 2.426 20 5 HEBDLO COc1ccc(OCCOC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000745109352 1077744137 /nfs/dbraw/zinc/74/41/37/1077744137.db2.gz BMXJRFWRXUPNHU-FQEVSTJZSA-N 1 2 416.430 2.426 20 5 HEBDLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000767744353 1080061741 /nfs/dbraw/zinc/06/17/41/1080061741.db2.gz BFWXQYKXRINZDU-UHFFFAOYSA-N 1 2 408.455 2.428 20 5 HEBDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000769226080 1081008838 /nfs/dbraw/zinc/00/88/38/1081008838.db2.gz PTTOTNJEIOCHHK-UHFFFAOYSA-N 1 2 404.467 2.473 20 5 HEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164703437 719852419 /nfs/dbraw/zinc/85/24/19/719852419.db2.gz PVPFDKXKNLOTCX-HRAATJIYSA-N 1 2 414.462 2.376 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912998 721768153 /nfs/dbraw/zinc/76/81/53/721768153.db2.gz STZRCWRSWUMIDY-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912998 721768156 /nfs/dbraw/zinc/76/81/56/721768156.db2.gz STZRCWRSWUMIDY-IBGZPJMESA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913653 721768950 /nfs/dbraw/zinc/76/89/50/721768950.db2.gz ZOSWVPSEELRTQN-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913653 721768956 /nfs/dbraw/zinc/76/89/56/721768956.db2.gz ZOSWVPSEELRTQN-LJQANCHMSA-N 1 2 419.869 2.146 20 5 HEBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745986653 1078719690 /nfs/dbraw/zinc/71/96/90/1078719690.db2.gz NTSBPZHNQQYIJX-MRXNPFEDSA-N 1 2 404.467 2.425 20 5 HEBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745986653 1078719696 /nfs/dbraw/zinc/71/96/96/1078719696.db2.gz NTSBPZHNQQYIJX-MRXNPFEDSA-N 1 2 404.467 2.425 20 5 HEBDLO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C2)c1 ZINC001169148969 1079165898 /nfs/dbraw/zinc/16/58/98/1079165898.db2.gz HFEJESBTFHMDPJ-KRWDZBQOSA-N 1 2 417.487 2.311 20 5 HEBDLO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C2)c1 ZINC001169148969 1079165905 /nfs/dbraw/zinc/16/59/05/1079165905.db2.gz HFEJESBTFHMDPJ-KRWDZBQOSA-N 1 2 417.487 2.311 20 5 HEBDLO Cc1c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000737625765 1075914235 /nfs/dbraw/zinc/91/42/35/1075914235.db2.gz FFAGUYZHUSAICP-OAHLLOKOSA-N 1 2 406.439 2.447 20 5 HEBDLO O=C(OCCn1cnc2ccsc2c1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000739355165 1076059048 /nfs/dbraw/zinc/05/90/48/1076059048.db2.gz WMYAOPYVJZVIRL-UHFFFAOYSA-N 1 2 411.399 2.409 20 5 HEBDLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389693 1076497149 /nfs/dbraw/zinc/49/71/49/1076497149.db2.gz XENBPCTWCCKAIG-BEFAXECRSA-N 1 2 413.430 2.366 20 5 HEBDLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741389693 1076497153 /nfs/dbraw/zinc/49/71/53/1076497153.db2.gz XENBPCTWCCKAIG-BEFAXECRSA-N 1 2 413.430 2.366 20 5 HEBDLO CN(C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000741382958 1076506837 /nfs/dbraw/zinc/50/68/37/1076506837.db2.gz KGNUVQQJUOISAJ-IBGZPJMESA-N 1 2 413.430 2.002 20 5 HEBDLO CN(C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000741382958 1076506842 /nfs/dbraw/zinc/50/68/42/1076506842.db2.gz KGNUVQQJUOISAJ-IBGZPJMESA-N 1 2 413.430 2.002 20 5 HEBDLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000741385659 1076509671 /nfs/dbraw/zinc/50/96/71/1076509671.db2.gz SYAJHLJMXDXZPG-SFHVURJKSA-N 1 2 417.393 2.117 20 5 HEBDLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000741385659 1076509676 /nfs/dbraw/zinc/50/96/76/1076509676.db2.gz SYAJHLJMXDXZPG-SFHVURJKSA-N 1 2 417.393 2.117 20 5 HEBDLO CN(C)c1ccc([NH+]2CCC(Nc3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)cc1 ZINC000742417864 1076836497 /nfs/dbraw/zinc/83/64/97/1076836497.db2.gz ZHAYRLQNFWBUJB-UHFFFAOYSA-N 1 2 419.507 2.389 20 5 HEBDLO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+]2CCC(OCC3CC3)CC2)C1=O ZINC000743407591 1077047765 /nfs/dbraw/zinc/04/77/65/1077047765.db2.gz SKFHECHSTZDNGQ-FQEVSTJZSA-N 1 2 402.451 2.210 20 5 HEBDLO CCOC1CC(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)([NH+]2CCOCC2)C1 ZINC000767430788 1079859385 /nfs/dbraw/zinc/85/93/85/1079859385.db2.gz JHMDAFWIMZZMAR-UHFFFAOYSA-N 1 2 418.494 2.169 20 5 HEBDLO CCOC1CC(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)([NH+]2CCOCC2)C1 ZINC000767431243 1079859997 /nfs/dbraw/zinc/85/99/97/1079859997.db2.gz LYHVGWSKTKHXGO-UHFFFAOYSA-N 1 2 420.466 2.233 20 5 HEBDLO CCOC1CC(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000767431373 1079860308 /nfs/dbraw/zinc/86/03/08/1079860308.db2.gz NVTOKXJQTUDNFS-FNORWQNLSA-N 1 2 419.478 2.463 20 5 HEBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000772597077 1080001198 /nfs/dbraw/zinc/00/11/98/1080001198.db2.gz BBFWCZQIYOWZEE-LLVKDONJSA-N 1 2 406.302 2.119 20 5 HEBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000772597077 1080001210 /nfs/dbraw/zinc/00/12/10/1080001210.db2.gz BBFWCZQIYOWZEE-LLVKDONJSA-N 1 2 406.302 2.119 20 5 HEBDLO COc1cccc([C@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC[NH2+]2)c1 ZINC001169974027 1080057456 /nfs/dbraw/zinc/05/74/56/1080057456.db2.gz HDRIYONXLONFJX-UYAOXDASSA-N 1 2 410.430 2.270 20 5 HEBDLO O=C(OC[C@@H]1CNC(c2ccccc2)=NO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768801370 1080778242 /nfs/dbraw/zinc/77/82/42/1080778242.db2.gz DCMUNECQGJSHKB-INIZCTEOSA-N 1 2 407.386 2.288 20 5 HEBDLO Cc1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000768989812 1080877792 /nfs/dbraw/zinc/87/77/92/1080877792.db2.gz BTDXRNMLIHCZJE-UHFFFAOYSA-N 1 2 406.483 2.414 20 5 HEBDLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000768989812 1080877793 /nfs/dbraw/zinc/87/77/93/1080877793.db2.gz BTDXRNMLIHCZJE-UHFFFAOYSA-N 1 2 406.483 2.414 20 5 HEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001164701947 719848682 /nfs/dbraw/zinc/84/86/82/719848682.db2.gz NAELMELJKIOABI-UGSOOPFHSA-N 1 2 412.874 2.184 20 5 HEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000771502739 1079361686 /nfs/dbraw/zinc/36/16/86/1079361686.db2.gz STEILSGHNFWOKN-UHFFFAOYSA-N 1 2 413.459 2.436 20 5 HEBDLO O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382218 1076505895 /nfs/dbraw/zinc/50/58/95/1076505895.db2.gz HFYUOGMFIZDJTN-LJQANCHMSA-N 1 2 414.414 2.406 20 5 HEBDLO O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382218 1076505900 /nfs/dbraw/zinc/50/59/00/1076505900.db2.gz HFYUOGMFIZDJTN-LJQANCHMSA-N 1 2 414.414 2.406 20 5 HEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382288 1076507362 /nfs/dbraw/zinc/50/73/62/1076507362.db2.gz NWEYCRWOCHIJCO-SFHVURJKSA-N 1 2 413.430 2.286 20 5 HEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382288 1076507366 /nfs/dbraw/zinc/50/73/66/1076507366.db2.gz NWEYCRWOCHIJCO-SFHVURJKSA-N 1 2 413.430 2.286 20 5 HEBDLO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000771783445 1079503775 /nfs/dbraw/zinc/50/37/75/1079503775.db2.gz BLCOHBHUMLJPRA-LLVKDONJSA-N 1 2 424.841 2.359 20 5 HEBDLO O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767402179 1079848310 /nfs/dbraw/zinc/84/83/10/1079848310.db2.gz LWZPJOGXIVZAMO-BETUJISGSA-N 1 2 403.357 2.432 20 5 HEBDLO O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767402179 1079848313 /nfs/dbraw/zinc/84/83/13/1079848313.db2.gz LWZPJOGXIVZAMO-BETUJISGSA-N 1 2 403.357 2.432 20 5 HEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786994696 1080904097 /nfs/dbraw/zinc/90/40/97/1080904097.db2.gz BDUWNRUYSBRMJP-APWZRJJASA-N 1 2 419.478 2.221 20 5 HEBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000769605696 1081167213 /nfs/dbraw/zinc/16/72/13/1081167213.db2.gz ZEVQPQWZECAXJZ-UHFFFAOYSA-N 1 2 407.346 2.495 20 5 HEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001164701941 719848475 /nfs/dbraw/zinc/84/84/75/719848475.db2.gz NAELMELJKIOABI-ACJLOTCBSA-N 1 2 412.874 2.184 20 5 HEBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009014 721708535 /nfs/dbraw/zinc/70/85/35/721708535.db2.gz MYRWQOXQLDQXJA-UHFFFAOYSA-N 1 2 417.470 2.009 20 5 HEBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009014 721708543 /nfs/dbraw/zinc/70/85/43/721708543.db2.gz MYRWQOXQLDQXJA-UHFFFAOYSA-N 1 2 417.470 2.009 20 5 HEBDLO