smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCc2ccccc2)C1 ZINC000950055709 720469831 /nfs/dbraw/zinc/46/98/31/720469831.db2.gz MNYSNPOWZMLVNU-HZPDHXFCSA-N 1 2 317.389 1.427 20 5 DDBDLO CCc1nn(C)c(NCC(C)(C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001117482009 748178518 /nfs/dbraw/zinc/17/85/18/748178518.db2.gz MZLOZQYJVFGMPU-UHFFFAOYSA-N 1 2 324.429 1.329 20 5 DDBDLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981277 762149748 /nfs/dbraw/zinc/14/97/48/762149748.db2.gz GZODXHKGBGPRSP-IPYPFGDCSA-N 1 2 322.361 1.511 20 5 DDBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957397 762154192 /nfs/dbraw/zinc/15/41/92/762154192.db2.gz HGAOQCAKGVRHBE-ILXRZTDVSA-N 1 2 306.362 1.806 20 5 DDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCc2ccccc2)C1 ZINC001042705050 764372568 /nfs/dbraw/zinc/37/25/68/764372568.db2.gz IUUDJUIFJNAWLE-HUUCEWRRSA-N 1 2 303.362 1.037 20 5 DDBDLO Cc1[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)[nH+]c1C ZINC001155610034 862287471 /nfs/dbraw/zinc/28/74/71/862287471.db2.gz MISPZCIDPPPRDK-UHFFFAOYSA-N 1 2 318.337 1.678 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001319287038 851927437 /nfs/dbraw/zinc/92/74/37/851927437.db2.gz BGJTWHGCJIVORG-UHFFFAOYSA-N 1 2 311.363 1.053 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[NH2+]1 ZINC001156248749 862862165 /nfs/dbraw/zinc/86/21/65/862862165.db2.gz IEQJZECAKXQDBF-GWCFXTLKSA-N 1 2 316.317 1.458 20 5 DDBDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320877131 867094528 /nfs/dbraw/zinc/09/45/28/867094528.db2.gz WYYBAVVPZVCUQH-XHDPSFHLSA-N 1 2 310.350 1.323 20 5 DDBDLO COC[C@H](C)OC[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320877131 867094536 /nfs/dbraw/zinc/09/45/36/867094536.db2.gz WYYBAVVPZVCUQH-XHDPSFHLSA-N 1 2 310.350 1.323 20 5 DDBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])cc3Cl)[C@H]1CC(=O)C2 ZINC001226254561 882309867 /nfs/dbraw/zinc/30/98/67/882309867.db2.gz BAUBSLJXASZJNC-UPZJHPNMSA-N 1 2 311.725 1.826 20 5 DDBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])cc3Cl)[C@H]1CC(=O)C2 ZINC001226254561 882309886 /nfs/dbraw/zinc/30/98/86/882309886.db2.gz BAUBSLJXASZJNC-UPZJHPNMSA-N 1 2 311.725 1.826 20 5 DDBDLO CCn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC001308575038 871512788 /nfs/dbraw/zinc/51/27/88/871512788.db2.gz WKKVLEBYWREJPY-NSHDSACASA-N 1 2 317.353 1.288 20 5 DDBDLO CCn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC001308575038 871512802 /nfs/dbraw/zinc/51/28/02/871512802.db2.gz WKKVLEBYWREJPY-NSHDSACASA-N 1 2 317.353 1.288 20 5 DDBDLO C/C=C(\C)C(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001226809149 882665908 /nfs/dbraw/zinc/66/59/08/882665908.db2.gz ABDQAPKBKUQPQE-NYYWCZLTSA-N 1 2 321.381 1.375 20 5 DDBDLO CCCSc1nc(O[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218034345 877378733 /nfs/dbraw/zinc/37/87/33/877378733.db2.gz QOCGDCLEHJJDFT-HTQZYQBOSA-N 1 2 314.367 1.579 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001222929181 880749056 /nfs/dbraw/zinc/74/90/56/880749056.db2.gz MARPCUPPBJFVSW-NSHDSACASA-N 1 2 321.333 1.973 20 5 DDBDLO OC[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232218698 886166084 /nfs/dbraw/zinc/16/60/84/886166084.db2.gz KCFUYRBXMFQTEQ-INIZCTEOSA-N 1 2 309.369 1.976 20 5 DDBDLO OC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232218698 886166085 /nfs/dbraw/zinc/16/60/85/886166085.db2.gz KCFUYRBXMFQTEQ-INIZCTEOSA-N 1 2 309.369 1.976 20 5 DDBDLO Cc1c(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC001234101788 887645819 /nfs/dbraw/zinc/64/58/19/887645819.db2.gz FKUQZHUYUPRABO-LBPRGKRZSA-N 1 2 315.333 1.524 20 5 DDBDLO COC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001290649641 913486083 /nfs/dbraw/zinc/48/60/83/913486083.db2.gz VEZBYWBAMLCGSN-UHFFFAOYSA-N 1 2 318.289 1.026 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC001251645439 894760488 /nfs/dbraw/zinc/76/04/88/894760488.db2.gz NYUTZNMDBFFVRA-LLVKDONJSA-N 1 2 305.338 1.375 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC001251645439 894760494 /nfs/dbraw/zinc/76/04/94/894760494.db2.gz NYUTZNMDBFFVRA-LLVKDONJSA-N 1 2 305.338 1.375 20 5 DDBDLO O=C(NCC1(O)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449954192 230661728 /nfs/dbraw/zinc/66/17/28/230661728.db2.gz SYIITROWTHNXAV-UHFFFAOYSA-N 1 2 316.317 1.425 20 5 DDBDLO Cc1noc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000056911670 539032778 /nfs/dbraw/zinc/03/27/78/539032778.db2.gz KZBRTLNOJYYLBG-UHFFFAOYSA-N 1 2 314.261 1.724 20 5 DDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000451760872 529579478 /nfs/dbraw/zinc/57/94/78/529579478.db2.gz URDKHPZCJLCPDT-UHFFFAOYSA-N 1 2 324.362 1.598 20 5 DDBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CCO ZINC000614895551 362067281 /nfs/dbraw/zinc/06/72/81/362067281.db2.gz WJODDBSCXDLLPV-UHFFFAOYSA-N 1 2 313.379 1.185 20 5 DDBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1CCO ZINC000614895551 362067286 /nfs/dbraw/zinc/06/72/86/362067286.db2.gz WJODDBSCXDLLPV-UHFFFAOYSA-N 1 2 313.379 1.185 20 5 DDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C(N)=O)CCCC1 ZINC000444663465 530022872 /nfs/dbraw/zinc/02/28/72/530022872.db2.gz OUBWGOBQUKMDCQ-UHFFFAOYSA-N 1 2 317.349 1.701 20 5 DDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C(N)=O)CCCC1 ZINC000444663465 530022873 /nfs/dbraw/zinc/02/28/73/530022873.db2.gz OUBWGOBQUKMDCQ-UHFFFAOYSA-N 1 2 317.349 1.701 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272716911 210123224 /nfs/dbraw/zinc/12/32/24/210123224.db2.gz YTYPHIZTVZVBNG-UHFFFAOYSA-N 1 2 303.322 1.536 20 5 DDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000331388191 233269531 /nfs/dbraw/zinc/26/95/31/233269531.db2.gz LOHJZWRIUQKOJC-JTQLQIEISA-N 1 2 318.337 1.146 20 5 DDBDLO Cc1c(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000043347041 352365700 /nfs/dbraw/zinc/36/57/00/352365700.db2.gz JFDJMYIQPDNZHW-LLVKDONJSA-N 1 2 322.365 1.745 20 5 DDBDLO Cc1[nH]nc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000076001757 353389968 /nfs/dbraw/zinc/38/99/68/353389968.db2.gz NLOGZGFPHYYUIS-VIFPVBQESA-N 1 2 304.310 1.369 20 5 DDBDLO Cc1n[nH]c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000076001757 353389970 /nfs/dbraw/zinc/38/99/70/353389970.db2.gz NLOGZGFPHYYUIS-VIFPVBQESA-N 1 2 304.310 1.369 20 5 DDBDLO Nc1nc(NCc2cc[nH+]c(N3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000076581397 353427491 /nfs/dbraw/zinc/42/74/91/353427491.db2.gz JCBUQSSZCLKQLN-UHFFFAOYSA-N 1 2 315.337 1.574 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663847 353903717 /nfs/dbraw/zinc/90/37/17/353903717.db2.gz KQIWDYHYVODMQI-ZDUSSCGKSA-N 1 2 321.377 1.455 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663847 353903718 /nfs/dbraw/zinc/90/37/18/353903718.db2.gz KQIWDYHYVODMQI-ZDUSSCGKSA-N 1 2 321.377 1.455 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663847 353903720 /nfs/dbraw/zinc/90/37/20/353903720.db2.gz KQIWDYHYVODMQI-ZDUSSCGKSA-N 1 2 321.377 1.455 20 5 DDBDLO C[C@H](O)C(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093706385 353903993 /nfs/dbraw/zinc/90/39/93/353903993.db2.gz ROXTXUWBOBHAHV-BPJJOFIESA-N 1 2 319.361 1.133 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000291256795 354446078 /nfs/dbraw/zinc/44/60/78/354446078.db2.gz PFLPUEXSGVRLNR-UHFFFAOYSA-N 1 2 302.334 1.922 20 5 DDBDLO COc1c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000587062442 354879946 /nfs/dbraw/zinc/87/99/46/354879946.db2.gz VQGJBHHNSPQHDR-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3c[nH]nn3)CC2)c1 ZINC000590604637 355128260 /nfs/dbraw/zinc/12/82/60/355128260.db2.gz LMERXHNGVYSJNH-UHFFFAOYSA-N 1 2 302.338 1.078 20 5 DDBDLO O=C(C[NH+]1CCC(C2(O)CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593052374 355780731 /nfs/dbraw/zinc/78/07/31/355780731.db2.gz ZLCYVLIQAOLYRH-UHFFFAOYSA-N 1 2 319.361 1.770 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000593081974 355789393 /nfs/dbraw/zinc/78/93/93/355789393.db2.gz UQKKLCKZHVMHBO-HZMBPMFUSA-N 1 2 308.334 1.666 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000593081974 355789394 /nfs/dbraw/zinc/78/93/94/355789394.db2.gz UQKKLCKZHVMHBO-HZMBPMFUSA-N 1 2 308.334 1.666 20 5 DDBDLO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108881 356116315 /nfs/dbraw/zinc/11/63/15/356116315.db2.gz ZJSJMMUPFOMFAE-RWMBFGLXSA-N 1 2 321.377 1.822 20 5 DDBDLO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108881 356116319 /nfs/dbraw/zinc/11/63/19/356116319.db2.gz ZJSJMMUPFOMFAE-RWMBFGLXSA-N 1 2 321.377 1.822 20 5 DDBDLO COCC[N@H+](C)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594650214 356273853 /nfs/dbraw/zinc/27/38/53/356273853.db2.gz GLSGXUOEHFQRCO-UHFFFAOYSA-N 1 2 305.338 1.313 20 5 DDBDLO COCC[N@@H+](C)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594650214 356273857 /nfs/dbraw/zinc/27/38/57/356273857.db2.gz GLSGXUOEHFQRCO-UHFFFAOYSA-N 1 2 305.338 1.313 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000594510572 356240548 /nfs/dbraw/zinc/24/05/48/356240548.db2.gz MXPBFPJWPIQKLH-GFCCVEGCSA-N 1 2 303.322 1.854 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000595523607 356532689 /nfs/dbraw/zinc/53/26/89/356532689.db2.gz USJXHLYUOUVSIA-JTQLQIEISA-N 1 2 311.342 1.127 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000595523607 356532693 /nfs/dbraw/zinc/53/26/93/356532693.db2.gz USJXHLYUOUVSIA-JTQLQIEISA-N 1 2 311.342 1.127 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000595595509 356568288 /nfs/dbraw/zinc/56/82/88/356568288.db2.gz WRSCJDRXARWKSO-UHFFFAOYSA-N 1 2 303.322 1.697 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000595595509 356568293 /nfs/dbraw/zinc/56/82/93/356568293.db2.gz WRSCJDRXARWKSO-UHFFFAOYSA-N 1 2 303.322 1.697 20 5 DDBDLO COC(=O)C12CC(C1)C[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000595677262 356606080 /nfs/dbraw/zinc/60/60/80/356606080.db2.gz IHBWBCFGFNCQQL-UHFFFAOYSA-N 1 2 306.318 1.611 20 5 DDBDLO COC(=O)C12CC(C1)C[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000595677262 356606083 /nfs/dbraw/zinc/60/60/83/356606083.db2.gz IHBWBCFGFNCQQL-UHFFFAOYSA-N 1 2 306.318 1.611 20 5 DDBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000597272736 357116936 /nfs/dbraw/zinc/11/69/36/357116936.db2.gz GTFJQJYANGCEIR-NSHDSACASA-N 1 2 312.329 1.943 20 5 DDBDLO CNc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459074 357590027 /nfs/dbraw/zinc/59/00/27/357590027.db2.gz DLOZRGFBTVYMOK-SECBINFHSA-N 1 2 303.322 1.861 20 5 DDBDLO Cc1nccnc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000598677932 357683626 /nfs/dbraw/zinc/68/36/26/357683626.db2.gz CQKMBQVMCIZQBG-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598946408 357769866 /nfs/dbraw/zinc/76/98/66/357769866.db2.gz FJQKXSQJEOBZKA-QMMMGPOBSA-N 1 2 322.271 1.353 20 5 DDBDLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000598947774 357770500 /nfs/dbraw/zinc/77/05/00/357770500.db2.gz MOPONBHERFCAFG-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1c[nH]c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000600111958 358126369 /nfs/dbraw/zinc/12/63/69/358126369.db2.gz HPOBUNKSSOZCCA-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO NC(=O)C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000600207290 358156664 /nfs/dbraw/zinc/15/66/64/358156664.db2.gz BGZAWYMONDREAS-LQPUYASZSA-N 1 2 305.334 1.184 20 5 DDBDLO NC(=O)C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000600207290 358156667 /nfs/dbraw/zinc/15/66/67/358156667.db2.gz BGZAWYMONDREAS-LQPUYASZSA-N 1 2 305.334 1.184 20 5 DDBDLO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000600309844 358192632 /nfs/dbraw/zinc/19/26/32/358192632.db2.gz CVULWLBXKALSPX-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000600309844 358192635 /nfs/dbraw/zinc/19/26/35/358192635.db2.gz CVULWLBXKALSPX-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1COCC[N@@H+]1C ZINC000601203866 358446454 /nfs/dbraw/zinc/44/64/54/358446454.db2.gz WXLDTAHNKLHFDM-SSDOTTSWSA-N 1 2 323.275 1.090 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1COCC[N@H+]1C ZINC000601203866 358446458 /nfs/dbraw/zinc/44/64/58/358446458.db2.gz WXLDTAHNKLHFDM-SSDOTTSWSA-N 1 2 323.275 1.090 20 5 DDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601576598 358608332 /nfs/dbraw/zinc/60/83/32/358608332.db2.gz NHISLXKLKPXNGB-SECBINFHSA-N 1 2 304.281 1.675 20 5 DDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+](C2CC2)CC1 ZINC000181076733 199248575 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312.370 1.811 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602867177 359251861 /nfs/dbraw/zinc/25/18/61/359251861.db2.gz QTOGXOPNFBQECA-LBPRGKRZSA-N 1 2 316.365 1.592 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602867177 359251865 /nfs/dbraw/zinc/25/18/65/359251865.db2.gz QTOGXOPNFBQECA-LBPRGKRZSA-N 1 2 316.365 1.592 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602910348 359288957 /nfs/dbraw/zinc/28/89/57/359288957.db2.gz XEYSDGULLIFNDB-AWEZNQCLSA-N 1 2 303.322 1.087 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602910348 359288963 /nfs/dbraw/zinc/28/89/63/359288963.db2.gz XEYSDGULLIFNDB-AWEZNQCLSA-N 1 2 303.322 1.087 20 5 DDBDLO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1C ZINC000603141168 359430119 /nfs/dbraw/zinc/43/01/19/359430119.db2.gz BYWBAZLSNLAMCA-PHIMTYICSA-N 1 2 307.350 1.855 20 5 DDBDLO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1C 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1 2 312.289 1.971 20 5 DDBDLO O=c1[nH]nc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)[nH]1 ZINC000339139870 250311632 /nfs/dbraw/zinc/31/16/32/250311632.db2.gz DOVCPGUJQOIRKT-UHFFFAOYSA-N 1 2 319.321 1.504 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000339266411 250378595 /nfs/dbraw/zinc/37/85/95/250378595.db2.gz SJSAGHBTWPCTGY-NSHDSACASA-N 1 2 309.370 1.065 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000339266411 250378600 /nfs/dbraw/zinc/37/86/00/250378600.db2.gz SJSAGHBTWPCTGY-NSHDSACASA-N 1 2 309.370 1.065 20 5 DDBDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352401260 285026161 /nfs/dbraw/zinc/02/61/61/285026161.db2.gz HRPZIPWOKUFKBM-LKFCYVNXSA-N 1 2 316.304 1.845 20 5 DDBDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352401260 285026164 /nfs/dbraw/zinc/02/61/64/285026164.db2.gz HRPZIPWOKUFKBM-LKFCYVNXSA-N 1 2 316.304 1.845 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000119610218 195002099 /nfs/dbraw/zinc/00/20/99/195002099.db2.gz MBNSHPNIZMJZRD-UHFFFAOYSA-N 1 2 318.337 1.345 20 5 DDBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000156789084 197140809 /nfs/dbraw/zinc/14/08/09/197140809.db2.gz YPJBDRRJGFUBTI-DGCLKSJQSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000156789084 197140810 /nfs/dbraw/zinc/14/08/10/197140810.db2.gz YPJBDRRJGFUBTI-DGCLKSJQSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494318623 533218082 /nfs/dbraw/zinc/21/80/82/533218082.db2.gz RVJZFOZEINBCEY-ZDUSSCGKSA-N 1 2 321.333 1.630 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494318623 533218091 /nfs/dbraw/zinc/21/80/91/533218091.db2.gz RVJZFOZEINBCEY-ZDUSSCGKSA-N 1 2 321.333 1.630 20 5 DDBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1COC[C@@H]1O ZINC000352801188 285310923 /nfs/dbraw/zinc/31/09/23/285310923.db2.gz JILHQIWMYRRXOY-KGLIPLIRSA-N 1 2 319.317 1.441 20 5 DDBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1COC[C@@H]1O ZINC000352801188 285310925 /nfs/dbraw/zinc/31/09/25/285310925.db2.gz JILHQIWMYRRXOY-KGLIPLIRSA-N 1 2 319.317 1.441 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000084867721 407095792 /nfs/dbraw/zinc/09/57/92/407095792.db2.gz SDMIOAYMKOXOBO-NSHDSACASA-N 1 2 322.283 1.702 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000084867721 407095794 /nfs/dbraw/zinc/09/57/94/407095794.db2.gz SDMIOAYMKOXOBO-NSHDSACASA-N 1 2 322.283 1.702 20 5 DDBDLO CC(=O)c1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000060332599 407224751 /nfs/dbraw/zinc/22/47/51/407224751.db2.gz HXIHCAIHIJTXST-UHFFFAOYSA-N 1 2 307.350 1.302 20 5 DDBDLO C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000151501069 407447768 /nfs/dbraw/zinc/44/77/68/407447768.db2.gz RKTMQRAHADLBIW-LLVKDONJSA-N 1 2 309.391 1.648 20 5 DDBDLO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000114856509 407624464 /nfs/dbraw/zinc/62/44/64/407624464.db2.gz GURIYOFNESTWMP-CYBMUJFWSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000114856509 407624468 /nfs/dbraw/zinc/62/44/68/407624468.db2.gz GURIYOFNESTWMP-CYBMUJFWSA-N 1 2 319.361 1.496 20 5 DDBDLO C[N@@H+](Cc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000266957624 407693597 /nfs/dbraw/zinc/69/35/97/407693597.db2.gz WUEZLPMCFPWILB-LBPRGKRZSA-N 1 2 323.374 1.923 20 5 DDBDLO C[N@H+](Cc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000266957624 407693601 /nfs/dbraw/zinc/69/36/01/407693601.db2.gz WUEZLPMCFPWILB-LBPRGKRZSA-N 1 2 323.374 1.923 20 5 DDBDLO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000153572064 407853809 /nfs/dbraw/zinc/85/38/09/407853809.db2.gz AGEVIHKRAFYJTK-VIFPVBQESA-N 1 2 300.746 1.776 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000153589207 407857699 /nfs/dbraw/zinc/85/76/99/407857699.db2.gz MVIOKXXRNQDYJX-NSHDSACASA-N 1 2 318.333 1.866 20 5 DDBDLO COc1ccc(OCC[N@@H+]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000173504076 407883204 /nfs/dbraw/zinc/88/32/04/407883204.db2.gz PGKRVARTXNTDIL-LBPRGKRZSA-N 1 2 323.349 1.322 20 5 DDBDLO COc1ccc(OCC[N@H+]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000173504076 407883211 /nfs/dbraw/zinc/88/32/11/407883211.db2.gz PGKRVARTXNTDIL-LBPRGKRZSA-N 1 2 323.349 1.322 20 5 DDBDLO C[C@H](O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000118719442 407937286 /nfs/dbraw/zinc/93/72/86/407937286.db2.gz HDUPMPXVYUUAID-JTQLQIEISA-N 1 2 304.306 1.281 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000162493039 408706883 /nfs/dbraw/zinc/70/68/83/408706883.db2.gz UAZDPXGCTNZIRL-KGLIPLIRSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000162493039 408706889 /nfs/dbraw/zinc/70/68/89/408706889.db2.gz UAZDPXGCTNZIRL-KGLIPLIRSA-N 1 2 320.349 1.450 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265625095 408717785 /nfs/dbraw/zinc/71/77/85/408717785.db2.gz CRTKXHGKODBHIE-GXFFZTMASA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265625095 408717791 /nfs/dbraw/zinc/71/77/91/408717791.db2.gz CRTKXHGKODBHIE-GXFFZTMASA-N 1 2 320.349 1.084 20 5 DDBDLO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000185047737 408744788 /nfs/dbraw/zinc/74/47/88/408744788.db2.gz FGJAKTSLTKITSK-UHFFFAOYSA-N 1 2 307.350 1.906 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000185129737 408763789 /nfs/dbraw/zinc/76/37/89/408763789.db2.gz VOMXVESTSNBHNL-CFMSYZGJSA-N 1 2 300.380 1.802 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000185129737 408763798 /nfs/dbraw/zinc/76/37/98/408763798.db2.gz VOMXVESTSNBHNL-CFMSYZGJSA-N 1 2 300.380 1.802 20 5 DDBDLO COC(=O)c1cc(C)nc(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000286120836 408927800 /nfs/dbraw/zinc/92/78/00/408927800.db2.gz MILMKMYTJXGWJG-SNVBAGLBSA-N 1 2 319.321 1.782 20 5 DDBDLO COCCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000191695217 163197711 /nfs/dbraw/zinc/19/77/11/163197711.db2.gz IMBOPOXKDSSQIK-UHFFFAOYSA-N 1 2 321.377 1.584 20 5 DDBDLO COCCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000191695217 163197713 /nfs/dbraw/zinc/19/77/13/163197713.db2.gz IMBOPOXKDSSQIK-UHFFFAOYSA-N 1 2 321.377 1.584 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncc([N+](=O)[O-])s1 ZINC000282002891 408970380 /nfs/dbraw/zinc/97/03/80/408970380.db2.gz UKXKPXWNHZIBIU-UHFFFAOYSA-N 1 2 300.384 1.598 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncc([N+](=O)[O-])s1 ZINC000282002891 408970384 /nfs/dbraw/zinc/97/03/84/408970384.db2.gz UKXKPXWNHZIBIU-UHFFFAOYSA-N 1 2 300.384 1.598 20 5 DDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278110557 409067140 /nfs/dbraw/zinc/06/71/40/409067140.db2.gz ZXPVWKSPDVQZIC-UHFFFAOYSA-N 1 2 305.334 1.189 20 5 DDBDLO Cn1c[nH+]cc1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000350401563 409944858 /nfs/dbraw/zinc/94/48/58/409944858.db2.gz SVXSRLOEVDCTAG-UHFFFAOYSA-N 1 2 300.278 1.551 20 5 DDBDLO Cn1c[nH+]cc1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000357591185 410121860 /nfs/dbraw/zinc/12/18/60/410121860.db2.gz GGWPXQCQIZKVRJ-UHFFFAOYSA-N 1 2 312.127 1.520 20 5 DDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC000347157298 410369593 /nfs/dbraw/zinc/36/95/93/410369593.db2.gz NRRPWIPSIHUFRD-UHFFFAOYSA-N 1 2 319.408 1.371 20 5 DDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC000347157298 410369603 /nfs/dbraw/zinc/36/96/03/410369603.db2.gz NRRPWIPSIHUFRD-UHFFFAOYSA-N 1 2 319.408 1.371 20 5 DDBDLO C[N@@H+](Cc1cc[nH]n1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518849 410507020 /nfs/dbraw/zinc/50/70/20/410507020.db2.gz BQWYINPNHKPVKB-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](Cc1cc[nH]n1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518849 410507029 /nfs/dbraw/zinc/50/70/29/410507029.db2.gz BQWYINPNHKPVKB-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO O=C(NCCNc1cccc[nH+]1)Nc1ccncc1[N+](=O)[O-] ZINC000359016681 410542576 /nfs/dbraw/zinc/54/25/76/410542576.db2.gz GYUQIWBZZWUNDJ-UHFFFAOYSA-N 1 2 302.294 1.040 20 5 DDBDLO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330453928 410701621 /nfs/dbraw/zinc/70/16/21/410701621.db2.gz MDDOIBCSIRSLFX-NWDGAFQWSA-N 1 2 309.366 1.187 20 5 DDBDLO C[C@@H](O)C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330453928 410701626 /nfs/dbraw/zinc/70/16/26/410701626.db2.gz MDDOIBCSIRSLFX-NWDGAFQWSA-N 1 2 309.366 1.187 20 5 DDBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337402274 410759717 /nfs/dbraw/zinc/75/97/17/410759717.db2.gz HVWCQKNZMNIWDM-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337402274 410759722 /nfs/dbraw/zinc/75/97/22/410759722.db2.gz HVWCQKNZMNIWDM-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO COC(=O)c1cc(C(=O)NCc2[nH]c[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000353104796 410782983 /nfs/dbraw/zinc/78/29/83/410782983.db2.gz DRYLZUYCGCWKGX-UHFFFAOYSA-N 1 2 318.289 1.343 20 5 DDBDLO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cn(C)nn1 ZINC000359649988 410795145 /nfs/dbraw/zinc/79/51/45/410795145.db2.gz NJPILCATKQYVLY-UHFFFAOYSA-N 1 2 305.338 1.624 20 5 DDBDLO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cn(C)nn1 ZINC000359649988 410795151 /nfs/dbraw/zinc/79/51/51/410795151.db2.gz NJPILCATKQYVLY-UHFFFAOYSA-N 1 2 305.338 1.624 20 5 DDBDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000330625734 410834417 /nfs/dbraw/zinc/83/44/17/410834417.db2.gz UFIYBYBIHCOGIB-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000330625734 410834421 /nfs/dbraw/zinc/83/44/21/410834421.db2.gz UFIYBYBIHCOGIB-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000134029435 196355199 /nfs/dbraw/zinc/35/51/99/196355199.db2.gz BBTCEIWQGMXHIU-KOLCDFICSA-N 1 2 303.326 1.251 20 5 DDBDLO CCn1ccnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373283663 418419504 /nfs/dbraw/zinc/41/95/04/418419504.db2.gz IHHODVLIJMDMSF-UHFFFAOYSA-N 1 2 304.354 1.845 20 5 DDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000360478541 418445763 /nfs/dbraw/zinc/44/57/63/418445763.db2.gz QFYHCKWQHVEOGA-UHFFFAOYSA-N 1 2 312.289 1.766 20 5 DDBDLO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000373918691 418472377 /nfs/dbraw/zinc/47/23/77/418472377.db2.gz RTBYDQNLHSCXBS-QWHCGFSZSA-N 1 2 305.334 1.425 20 5 DDBDLO CC[N@H+](CCCNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000338948669 418620925 /nfs/dbraw/zinc/62/09/25/418620925.db2.gz QPFHSFDHQCLXNC-UHFFFAOYSA-N 1 2 316.365 1.717 20 5 DDBDLO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000338948669 418620928 /nfs/dbraw/zinc/62/09/28/418620928.db2.gz QPFHSFDHQCLXNC-UHFFFAOYSA-N 1 2 316.365 1.717 20 5 DDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364731887 418804911 /nfs/dbraw/zinc/80/49/11/418804911.db2.gz WHOKRGFSBHHMIB-CYBMUJFWSA-N 1 2 314.345 1.713 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000420979479 419398670 /nfs/dbraw/zinc/39/86/70/419398670.db2.gz DFKJWKWRCHGEAA-MFKMUULPSA-N 1 2 320.349 1.132 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000420979479 419398674 /nfs/dbraw/zinc/39/86/74/419398674.db2.gz DFKJWKWRCHGEAA-MFKMUULPSA-N 1 2 320.349 1.132 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000427837007 419747867 /nfs/dbraw/zinc/74/78/67/419747867.db2.gz PRKCKWBJYNCYIP-SNVBAGLBSA-N 1 2 306.326 1.074 20 5 DDBDLO CC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000422126989 419849100 /nfs/dbraw/zinc/84/91/00/419849100.db2.gz CNBBYLZQBCPDOB-LLVKDONJSA-N 1 2 304.306 1.281 20 5 DDBDLO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000299495513 229154270 /nfs/dbraw/zinc/15/42/70/229154270.db2.gz BBCHZSAUISQSKN-UHFFFAOYSA-N 1 2 322.350 1.323 20 5 DDBDLO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000299495513 229154276 /nfs/dbraw/zinc/15/42/76/229154276.db2.gz BBCHZSAUISQSKN-UHFFFAOYSA-N 1 2 322.350 1.323 20 5 DDBDLO COc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000418992795 420039286 /nfs/dbraw/zinc/03/92/86/420039286.db2.gz NHVBCSPMKZZJST-BETUJISGSA-N 1 2 308.334 1.845 20 5 DDBDLO COc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000418992795 420039290 /nfs/dbraw/zinc/03/92/90/420039290.db2.gz NHVBCSPMKZZJST-BETUJISGSA-N 1 2 308.334 1.845 20 5 DDBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000436895101 420381680 /nfs/dbraw/zinc/38/16/80/420381680.db2.gz HVGABCJBTHSMLC-WDEREUQCSA-N 1 2 307.350 1.855 20 5 DDBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C ZINC000436895101 420381682 /nfs/dbraw/zinc/38/16/82/420381682.db2.gz HVGABCJBTHSMLC-WDEREUQCSA-N 1 2 307.350 1.855 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492816110 420673913 /nfs/dbraw/zinc/67/39/13/420673913.db2.gz ZCCMLYHUAMCYBV-DJWKRKHSSA-N 1 2 302.290 1.656 20 5 DDBDLO CCOC1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000453008666 420699724 /nfs/dbraw/zinc/69/97/24/420699724.db2.gz DUSUGCYICJTUAC-GFCCVEGCSA-N 1 2 310.350 1.445 20 5 DDBDLO CN(C)c1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c[nH+]1 ZINC000447684459 420793950 /nfs/dbraw/zinc/79/39/50/420793950.db2.gz BBVFCLJQXRMUEV-UHFFFAOYSA-N 1 2 312.333 1.966 20 5 DDBDLO CC[C@@H](CO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809663 420804462 /nfs/dbraw/zinc/80/44/62/420804462.db2.gz BNDGNPWPYLOYJL-ZDUSSCGKSA-N 1 2 309.366 1.610 20 5 DDBDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459828463 420885669 /nfs/dbraw/zinc/88/56/69/420885669.db2.gz OFJFRSCYHPRNGB-UONOGXRCSA-N 1 2 319.317 1.753 20 5 DDBDLO O=C1OCC[C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000494085231 420988934 /nfs/dbraw/zinc/98/89/34/420988934.db2.gz HRAWFBZSVSRVIT-UONOGXRCSA-N 1 2 321.333 1.155 20 5 DDBDLO O=C1OCC[C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000494085231 420988938 /nfs/dbraw/zinc/98/89/38/420988938.db2.gz HRAWFBZSVSRVIT-UONOGXRCSA-N 1 2 321.333 1.155 20 5 DDBDLO C[C@@H](O)CCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450083131 421139583 /nfs/dbraw/zinc/13/95/83/421139583.db2.gz FLEBJKZLTWEFHR-LLVKDONJSA-N 1 2 318.333 1.623 20 5 DDBDLO C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000562299653 421350009 /nfs/dbraw/zinc/35/00/09/421350009.db2.gz GYLPVGQORVWYGQ-CYBMUJFWSA-N 1 2 321.377 1.489 20 5 DDBDLO COc1cccc(C(=O)NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000562538309 421379091 /nfs/dbraw/zinc/37/90/91/421379091.db2.gz KVZXDNXPPNLIDM-UHFFFAOYSA-N 1 2 304.306 1.309 20 5 DDBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000517961168 421634024 /nfs/dbraw/zinc/63/40/24/421634024.db2.gz UFWILYRMUZOEAF-LLVKDONJSA-N 1 2 302.334 1.855 20 5 DDBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000517961168 421634028 /nfs/dbraw/zinc/63/40/28/421634028.db2.gz UFWILYRMUZOEAF-LLVKDONJSA-N 1 2 302.334 1.855 20 5 DDBDLO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC(F)F)CC2)nc1 ZINC000590567457 422321180 /nfs/dbraw/zinc/32/11/80/422321180.db2.gz GHKNADBKYJTJNL-UHFFFAOYSA-N 1 2 300.309 2.379 20 5 DDBDLO Cc1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000340694991 271053625 /nfs/dbraw/zinc/05/36/25/271053625.db2.gz GWOWBTIEMSUKDG-GFCCVEGCSA-N 1 2 314.349 1.775 20 5 DDBDLO Cc1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000340694991 271053628 /nfs/dbraw/zinc/05/36/28/271053628.db2.gz GWOWBTIEMSUKDG-GFCCVEGCSA-N 1 2 314.349 1.775 20 5 DDBDLO CCC(=O)c1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000281397542 276205349 /nfs/dbraw/zinc/20/53/49/276205349.db2.gz GTDGRZPDJDJWDT-GFCCVEGCSA-N 1 2 321.377 1.690 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c(C(F)(F)F)c1 ZINC000185191724 280364082 /nfs/dbraw/zinc/36/40/82/280364082.db2.gz ZEUIEMSUVUZVHK-GHMZBOCLSA-N 1 2 320.267 1.541 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c(C(F)(F)F)c1 ZINC000185191724 280364083 /nfs/dbraw/zinc/36/40/83/280364083.db2.gz ZEUIEMSUVUZVHK-GHMZBOCLSA-N 1 2 320.267 1.541 20 5 DDBDLO C[NH+](C)CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000318669456 289106751 /nfs/dbraw/zinc/10/67/51/289106751.db2.gz JHMUVJZNCURIBN-UHFFFAOYSA-N 1 2 307.350 1.714 20 5 DDBDLO CN(C)c1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c[nH+]1 ZINC000354439198 298438721 /nfs/dbraw/zinc/43/87/21/298438721.db2.gz GDRNEHZZFWQCSS-UHFFFAOYSA-N 1 2 315.333 1.568 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363356431 300256321 /nfs/dbraw/zinc/25/63/21/300256321.db2.gz MIXQHBMTKIXOOB-UHFFFAOYSA-N 1 2 323.397 1.409 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363356431 300256323 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CNC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000377329320 302170274 /nfs/dbraw/zinc/17/02/74/302170274.db2.gz GPDKTBJWAJAANW-UHFFFAOYSA-N 1 2 301.306 1.171 20 5 DDBDLO Cc1c(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000532675873 303292979 /nfs/dbraw/zinc/29/29/79/303292979.db2.gz DSZPQBMLMQXVBR-GFCCVEGCSA-N 1 2 321.377 1.283 20 5 DDBDLO Cc1c(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000532675873 303292981 /nfs/dbraw/zinc/29/29/81/303292981.db2.gz DSZPQBMLMQXVBR-GFCCVEGCSA-N 1 2 321.377 1.283 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000532796629 303297988 /nfs/dbraw/zinc/29/79/88/303297988.db2.gz UKVJHDCGCYTUIX-LLVKDONJSA-N 1 2 315.333 1.337 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncnc3)CC2)cn1 ZINC000535785531 303352526 /nfs/dbraw/zinc/35/25/26/303352526.db2.gz VJYOWXMIZGLTHJ-UHFFFAOYSA-N 1 2 300.322 1.102 20 5 DDBDLO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCCOC2)O1 ZINC000369550389 307123503 /nfs/dbraw/zinc/12/35/03/307123503.db2.gz LJNSPKKPQFIQCC-SMDDNHRTSA-N 1 2 310.354 1.098 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCCOC2)O1 ZINC000369550389 307123504 /nfs/dbraw/zinc/12/35/04/307123504.db2.gz LJNSPKKPQFIQCC-SMDDNHRTSA-N 1 2 310.354 1.098 20 5 DDBDLO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373798623 307195504 /nfs/dbraw/zinc/19/55/04/307195504.db2.gz SNAQHXUZKQFKST-RRCSTGOVSA-N 1 2 315.373 1.795 20 5 DDBDLO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373798623 307195505 /nfs/dbraw/zinc/19/55/05/307195505.db2.gz SNAQHXUZKQFKST-RRCSTGOVSA-N 1 2 315.373 1.795 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CO1 ZINC000572366456 308219310 /nfs/dbraw/zinc/21/93/10/308219310.db2.gz SEROHKFKSMRTMM-PWSUYJOCSA-N 1 2 316.317 1.688 20 5 DDBDLO O=C(NC1(CCO)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452133094 534783242 /nfs/dbraw/zinc/78/32/42/534783242.db2.gz OTZBSAIZBITZLP-UHFFFAOYSA-N 1 2 316.317 1.425 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491465557 534788054 /nfs/dbraw/zinc/78/80/54/534788054.db2.gz RRRCYABJKVQXFZ-HWKANZROSA-N 1 2 304.281 1.797 20 5 DDBDLO CCOc1cc(C[NH2+][C@@H](C)c2nncn2C)ccc1[N+](=O)[O-] ZINC000491867872 528280774 /nfs/dbraw/zinc/28/07/74/528280774.db2.gz JVTIFRDGPDCDPK-JTQLQIEISA-N 1 2 305.338 1.973 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000121357366 696708923 /nfs/dbraw/zinc/70/89/23/696708923.db2.gz WXXBLPAUCBONPA-UHFFFAOYSA-N 1 2 308.725 1.954 20 5 DDBDLO Cc1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000747218547 700060516 /nfs/dbraw/zinc/06/05/16/700060516.db2.gz WDTURTJKPJMLBU-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000101905455 696609240 /nfs/dbraw/zinc/60/92/40/696609240.db2.gz KEYBBHTWBGKTJW-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000101905455 696609241 /nfs/dbraw/zinc/60/92/41/696609241.db2.gz KEYBBHTWBGKTJW-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO O=C(O[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000107006175 696629118 /nfs/dbraw/zinc/62/91/18/696629118.db2.gz RJKOZVWANSNVMQ-LLVKDONJSA-N 1 2 303.274 1.726 20 5 DDBDLO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000154644014 696935780 /nfs/dbraw/zinc/93/57/80/696935780.db2.gz CPDPUFKCFRMHIF-SNVBAGLBSA-N 1 2 316.741 1.320 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000193435324 697667008 /nfs/dbraw/zinc/66/70/08/697667008.db2.gz IMFGOLZIVQSMMZ-UHFFFAOYSA-N 1 2 301.350 1.961 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000193435324 697667011 /nfs/dbraw/zinc/66/70/11/697667011.db2.gz IMFGOLZIVQSMMZ-UHFFFAOYSA-N 1 2 301.350 1.961 20 5 DDBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000773993257 697831558 /nfs/dbraw/zinc/83/15/58/697831558.db2.gz OTDQFPQTHRNNAZ-AWEZNQCLSA-N 1 2 305.334 1.123 20 5 DDBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000773993257 697831561 /nfs/dbraw/zinc/83/15/61/697831561.db2.gz OTDQFPQTHRNNAZ-AWEZNQCLSA-N 1 2 305.334 1.123 20 5 DDBDLO C[C@H](C(=O)OCC[N@@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000800214540 700204498 /nfs/dbraw/zinc/20/44/98/700204498.db2.gz NKGXKDWMULCWAX-OLZOCXBDSA-N 1 2 322.361 1.962 20 5 DDBDLO C[C@H](C(=O)OCC[N@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000800214540 700204501 /nfs/dbraw/zinc/20/45/01/700204501.db2.gz NKGXKDWMULCWAX-OLZOCXBDSA-N 1 2 322.361 1.962 20 5 DDBDLO O=C1OCC[C@]12CCC[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778249571 698253400 /nfs/dbraw/zinc/25/34/00/698253400.db2.gz RLIQQHZAQLMDSO-UKRRQHHQSA-N 1 2 306.318 1.410 20 5 DDBDLO O=C1OCC[C@]12CCC[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778249571 698253403 /nfs/dbraw/zinc/25/34/03/698253403.db2.gz RLIQQHZAQLMDSO-UKRRQHHQSA-N 1 2 306.318 1.410 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000751014808 700264954 /nfs/dbraw/zinc/26/49/54/700264954.db2.gz MKWJFOFOZNOUSQ-NSHDSACASA-N 1 2 324.406 1.602 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000751014808 700264949 /nfs/dbraw/zinc/26/49/49/700264949.db2.gz MKWJFOFOZNOUSQ-NSHDSACASA-N 1 2 324.406 1.602 20 5 DDBDLO Cc1cc(F)cc(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000758486632 700708144 /nfs/dbraw/zinc/70/81/44/700708144.db2.gz HXFMQCGDXODVPJ-UHFFFAOYSA-N 1 2 304.281 1.936 20 5 DDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCn1cc[nH+]c1 ZINC000771939444 701337709 /nfs/dbraw/zinc/33/77/09/701337709.db2.gz LAMRICCQMAZGIW-UHFFFAOYSA-N 1 2 314.301 1.989 20 5 DDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCn2c[nH+]cc2C1 ZINC000811787802 702059416 /nfs/dbraw/zinc/05/94/16/702059416.db2.gz VLUPYEKZVQGSFQ-UHFFFAOYSA-N 1 2 315.289 1.173 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844392976 703024719 /nfs/dbraw/zinc/02/47/19/703024719.db2.gz OMABDQMHUFIELV-NWDGAFQWSA-N 1 2 300.742 1.830 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844392976 703024721 /nfs/dbraw/zinc/02/47/21/703024721.db2.gz OMABDQMHUFIELV-NWDGAFQWSA-N 1 2 300.742 1.830 20 5 DDBDLO CN(c1ccccc1)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853585764 704276050 /nfs/dbraw/zinc/27/60/50/704276050.db2.gz SQLDILKXHRNFRW-AWEZNQCLSA-N 1 2 301.350 1.960 20 5 DDBDLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853585764 704276051 /nfs/dbraw/zinc/27/60/51/704276051.db2.gz SQLDILKXHRNFRW-AWEZNQCLSA-N 1 2 301.350 1.960 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000857990837 704657864 /nfs/dbraw/zinc/65/78/64/704657864.db2.gz BCZNMJNBGNPDJG-SECBINFHSA-N 1 2 316.273 1.395 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000876800299 705881573 /nfs/dbraw/zinc/88/15/73/705881573.db2.gz PWNHCXCRZDSAJC-GFCCVEGCSA-N 1 2 304.350 1.421 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000876800299 705881577 /nfs/dbraw/zinc/88/15/77/705881577.db2.gz PWNHCXCRZDSAJC-GFCCVEGCSA-N 1 2 304.350 1.421 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000828417585 706175940 /nfs/dbraw/zinc/17/59/40/706175940.db2.gz DKDNPWIDHUZPQS-UHFFFAOYSA-N 1 2 302.334 2.000 20 5 DDBDLO C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000864932008 706304572 /nfs/dbraw/zinc/30/45/72/706304572.db2.gz UCKOLKFHYBSCFG-VUUYWXRKSA-N 1 2 319.361 1.660 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167313 706898136 /nfs/dbraw/zinc/89/81/36/706898136.db2.gz QUQQXQAJCVPCLO-UHFFFAOYSA-N 1 2 319.361 1.848 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880167313 706898138 /nfs/dbraw/zinc/89/81/38/706898138.db2.gz QUQQXQAJCVPCLO-UHFFFAOYSA-N 1 2 319.361 1.848 20 5 DDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000882766591 707783342 /nfs/dbraw/zinc/78/33/42/707783342.db2.gz LOBKNDWUEMTVDU-LLVKDONJSA-N 1 2 313.379 1.276 20 5 DDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000882766591 707783346 /nfs/dbraw/zinc/78/33/46/707783346.db2.gz LOBKNDWUEMTVDU-LLVKDONJSA-N 1 2 313.379 1.276 20 5 DDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cs1 ZINC000903211550 711067487 /nfs/dbraw/zinc/06/74/87/711067487.db2.gz SYFSJYBMJFJECJ-SECBINFHSA-N 1 2 317.392 1.125 20 5 DDBDLO Cc1nn(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1[N+](=O)[O-] ZINC000905722120 712131629 /nfs/dbraw/zinc/13/16/29/712131629.db2.gz LCANYDXGSYJACD-UHFFFAOYSA-N 1 2 304.354 1.670 20 5 DDBDLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934035027 714727515 /nfs/dbraw/zinc/72/75/15/714727515.db2.gz WTCSVTNOKRRTPX-CHWSQXEVSA-N 1 2 302.277 1.767 20 5 DDBDLO O=C(NCC1C[NH+](Cc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662074 747336554 /nfs/dbraw/zinc/33/65/54/747336554.db2.gz SZAAYHOZDLDWTF-ZIAGYGMSSA-N 1 2 307.325 1.039 20 5 DDBDLO O=C(Cc1c[nH]c[nH+]1)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107538960 750111185 /nfs/dbraw/zinc/11/11/85/750111185.db2.gz AXDLQHLXIHUDJI-UPHRSURJSA-N 1 2 316.321 1.040 20 5 DDBDLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)OC(C)(C)C ZINC001168972828 762162750 /nfs/dbraw/zinc/16/27/50/762162750.db2.gz BMHDHFZULJUBAN-LPWJVIDDSA-N 1 2 316.398 1.767 20 5 DDBDLO CC(C)OCc1nnc2n1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018808 762199340 /nfs/dbraw/zinc/19/93/40/762199340.db2.gz FFSWPWZZWVZPCY-CHWSQXEVSA-N 1 2 323.397 1.464 20 5 DDBDLO CC(C)OCc1nnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018808 762199343 /nfs/dbraw/zinc/19/93/43/762199343.db2.gz FFSWPWZZWVZPCY-CHWSQXEVSA-N 1 2 323.397 1.464 20 5 DDBDLO O=C(N[C@@]12CC[N@@H+](C1)CCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001132686108 769092622 /nfs/dbraw/zinc/09/26/22/769092622.db2.gz AXSCIQZKDQCGNA-HNNXBMFYSA-N 1 2 315.333 1.439 20 5 DDBDLO CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)Cc1[nH]cc[nH+]1 ZINC001101728913 777444784 /nfs/dbraw/zinc/44/47/84/777444784.db2.gz QJAIIYCYJAVXFC-UHFFFAOYSA-N 1 2 321.312 1.570 20 5 DDBDLO CCc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001174949766 777646320 /nfs/dbraw/zinc/64/63/20/777646320.db2.gz KOESCUQESOZBLU-ZDUSSCGKSA-N 1 2 318.333 1.214 20 5 DDBDLO CCc1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC001174949766 777646326 /nfs/dbraw/zinc/64/63/26/777646326.db2.gz KOESCUQESOZBLU-ZDUSSCGKSA-N 1 2 318.333 1.214 20 5 DDBDLO Nc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc(F)cc1[N+](=O)[O-] ZINC001149162949 860003391 /nfs/dbraw/zinc/00/33/91/860003391.db2.gz FHLLWFWCKSRNGF-SECBINFHSA-N 1 2 305.269 1.387 20 5 DDBDLO Nc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cc(F)cc1[N+](=O)[O-] ZINC001149162950 860008731 /nfs/dbraw/zinc/00/87/31/860008731.db2.gz FHLLWFWCKSRNGF-VIFPVBQESA-N 1 2 305.269 1.387 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)n1 ZINC001156897715 863428176 /nfs/dbraw/zinc/42/81/76/863428176.db2.gz QHPGMBCLPJHILH-UHFFFAOYSA-N 1 2 315.333 1.830 20 5 DDBDLO Cc1c(C)c(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncc1[N+](=O)[O-] ZINC001157583873 863952800 /nfs/dbraw/zinc/95/28/00/863952800.db2.gz WFEGECBAVGQWQZ-GFCCVEGCSA-N 1 2 306.366 1.882 20 5 DDBDLO Cc1c(C)c(N[C@@H]2CCC[N@H+](C3COC3)C2)ncc1[N+](=O)[O-] ZINC001157583873 863952813 /nfs/dbraw/zinc/95/28/13/863952813.db2.gz WFEGECBAVGQWQZ-GFCCVEGCSA-N 1 2 306.366 1.882 20 5 DDBDLO Cc1cc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001475407866 866148520 /nfs/dbraw/zinc/14/85/20/866148520.db2.gz IUPAPHBKBCQXJF-UHFFFAOYSA-N 1 2 322.346 1.480 20 5 DDBDLO CC(C)c1ocnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323438253 866610292 /nfs/dbraw/zinc/61/02/92/866610292.db2.gz ZJRBXNLTZITHBP-ZYHUDNBSSA-N 1 2 322.365 1.202 20 5 DDBDLO Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH+]1 ZINC001325554764 868132707 /nfs/dbraw/zinc/13/27/07/868132707.db2.gz JFPUNWWYLPMSHE-JHJVBQTASA-N 1 2 304.350 1.458 20 5 DDBDLO CN(CC[NH2+]Cc1ncc(Cl)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584710 871141855 /nfs/dbraw/zinc/14/18/55/871141855.db2.gz GMGUQAVNZWMHGA-HTQZYQBOSA-N 1 2 318.786 1.010 20 5 DDBDLO C[NH+](C)Cc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2N)co1 ZINC001304117187 871191223 /nfs/dbraw/zinc/19/12/23/871191223.db2.gz PYBOCBBXQSGVKS-UHFFFAOYSA-N 1 2 319.321 1.157 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C2 ZINC001318790242 872273821 /nfs/dbraw/zinc/27/38/21/872273821.db2.gz AQXYXYHKXHXVOJ-JKSUJKDBSA-N 1 2 322.361 1.467 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C2 ZINC001318790242 872273845 /nfs/dbraw/zinc/27/38/45/872273845.db2.gz AQXYXYHKXHXVOJ-JKSUJKDBSA-N 1 2 322.361 1.467 20 5 DDBDLO C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001344100357 872857145 /nfs/dbraw/zinc/85/71/45/872857145.db2.gz ZJVPHRHSMOYDLM-LBPRGKRZSA-N 1 2 319.361 1.720 20 5 DDBDLO C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001344100357 872857152 /nfs/dbraw/zinc/85/71/52/872857152.db2.gz ZJVPHRHSMOYDLM-LBPRGKRZSA-N 1 2 319.361 1.720 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001347340495 874104422 /nfs/dbraw/zinc/10/44/22/874104422.db2.gz ZRUPCNFIPRCKMW-UHFFFAOYSA-N 1 2 316.361 1.965 20 5 DDBDLO C[N@@H+]1CCO[C@@H](COc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245732 882929712 /nfs/dbraw/zinc/92/97/12/882929712.db2.gz AZGGOOZBRNUZMN-MRVPVSSYSA-N 1 2 321.255 1.718 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245732 882929725 /nfs/dbraw/zinc/92/97/25/882929725.db2.gz AZGGOOZBRNUZMN-MRVPVSSYSA-N 1 2 321.255 1.718 20 5 DDBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC001355216022 878465391 /nfs/dbraw/zinc/46/53/91/878465391.db2.gz MWASJORCCOZZOQ-UHFFFAOYSA-N 1 2 318.333 1.914 20 5 DDBDLO C[N@@H+]1CC[C@H](Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001228657119 883598666 /nfs/dbraw/zinc/59/86/66/883598666.db2.gz FHCVNUIUYQJUJZ-VIFPVBQESA-N 1 2 300.336 1.081 20 5 DDBDLO C[N@H+]1CC[C@H](Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001228657119 883598675 /nfs/dbraw/zinc/59/86/75/883598675.db2.gz FHCVNUIUYQJUJZ-VIFPVBQESA-N 1 2 300.336 1.081 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2cc[nH+]c2-c2ccncc2)c1 ZINC000304380484 230924251 /nfs/dbraw/zinc/92/42/51/230924251.db2.gz YEGVSIDIXNFWKP-ZDUSSCGKSA-N 1 2 314.305 1.111 20 5 DDBDLO CC(C)(O)CONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000278744292 214370868 /nfs/dbraw/zinc/37/08/68/214370868.db2.gz VGHGMKJDKCDLQL-UHFFFAOYSA-N 1 2 320.305 1.213 20 5 DDBDLO CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000615140431 362170430 /nfs/dbraw/zinc/17/04/30/362170430.db2.gz IKGDDVVZQZSCMR-UHFFFAOYSA-N 1 2 309.366 1.189 20 5 DDBDLO CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000615140431 362170432 /nfs/dbraw/zinc/17/04/32/362170432.db2.gz IKGDDVVZQZSCMR-UHFFFAOYSA-N 1 2 309.366 1.189 20 5 DDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365272415 307063089 /nfs/dbraw/zinc/06/30/89/307063089.db2.gz DVRVTSZYIBWUQK-CYBMUJFWSA-N 1 2 313.379 1.108 20 5 DDBDLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000457850032 232141630 /nfs/dbraw/zinc/14/16/30/232141630.db2.gz GHSSOLAUBXSZKO-JTQLQIEISA-N 1 2 320.324 1.930 20 5 DDBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc3n2CCOC3)cccc1[N+](=O)[O-] ZINC000616365566 362660715 /nfs/dbraw/zinc/66/07/15/362660715.db2.gz CJLYGFRPWQXOTR-LLVKDONJSA-N 1 2 317.349 1.876 20 5 DDBDLO O=c1[nH]nc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000367082355 307085056 /nfs/dbraw/zinc/08/50/56/307085056.db2.gz ZVTVKWIQVQUWNS-QMMMGPOBSA-N 1 2 310.339 1.186 20 5 DDBDLO O=c1[nH]nc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000367082355 307085057 /nfs/dbraw/zinc/08/50/57/307085057.db2.gz ZVTVKWIQVQUWNS-QMMMGPOBSA-N 1 2 310.339 1.186 20 5 DDBDLO O=C1N=NC(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)S1 ZINC000367082355 307085058 /nfs/dbraw/zinc/08/50/58/307085058.db2.gz ZVTVKWIQVQUWNS-QMMMGPOBSA-N 1 2 310.339 1.186 20 5 DDBDLO O=C1N=NC(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)S1 ZINC000367082355 307085059 /nfs/dbraw/zinc/08/50/59/307085059.db2.gz ZVTVKWIQVQUWNS-QMMMGPOBSA-N 1 2 310.339 1.186 20 5 DDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](O)C3)n2)c1 ZINC000027224095 352215292 /nfs/dbraw/zinc/21/52/92/352215292.db2.gz AATBXKPOIMJCFI-GFCCVEGCSA-N 1 2 304.306 1.602 20 5 DDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](O)C3)n2)c1 ZINC000027224095 352215294 /nfs/dbraw/zinc/21/52/94/352215294.db2.gz AATBXKPOIMJCFI-GFCCVEGCSA-N 1 2 304.306 1.602 20 5 DDBDLO CCOC(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051182157 352581477 /nfs/dbraw/zinc/58/14/77/352581477.db2.gz QIXVEEXYAWOJDW-UHFFFAOYSA-N 1 2 323.349 1.748 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000491387951 234154602 /nfs/dbraw/zinc/15/46/02/234154602.db2.gz ROBJKDSIWLGWQF-URWSZGRFSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000491387951 234154606 /nfs/dbraw/zinc/15/46/06/234154606.db2.gz ROBJKDSIWLGWQF-URWSZGRFSA-N 1 2 319.361 1.445 20 5 DDBDLO Cc1cccn2cc(CCNC(=O)c3[nH]ncc3[N+](=O)[O-])[nH+]c12 ZINC000126932239 354059310 /nfs/dbraw/zinc/05/93/10/354059310.db2.gz YKYKEIHXQCWPML-UHFFFAOYSA-N 1 2 314.305 1.247 20 5 DDBDLO C[N@@H+](Cc1cscn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000138740924 354123776 /nfs/dbraw/zinc/12/37/76/354123776.db2.gz YKOKBCZKXMUWBB-CYBMUJFWSA-N 1 2 323.374 1.923 20 5 DDBDLO C[N@H+](Cc1cscn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000138740924 354123779 /nfs/dbraw/zinc/12/37/79/354123779.db2.gz YKOKBCZKXMUWBB-CYBMUJFWSA-N 1 2 323.374 1.923 20 5 DDBDLO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cn1cc[nH+]c1 ZINC000176829137 198626312 /nfs/dbraw/zinc/62/63/12/198626312.db2.gz DNEQCCPXGRIDGY-SNVBAGLBSA-N 1 2 303.322 1.440 20 5 DDBDLO Cc1cc(C)c(S(=O)(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000290116824 354442471 /nfs/dbraw/zinc/44/24/71/354442471.db2.gz GHUIUSKNWHPZEG-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c[nH+]1 ZINC000585681831 354827532 /nfs/dbraw/zinc/82/75/32/354827532.db2.gz HXVLCPMCQHMXHI-UHFFFAOYSA-N 1 2 302.334 1.954 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000587066374 354880333 /nfs/dbraw/zinc/88/03/33/354880333.db2.gz LWKJQGAYVVYIIV-VIFPVBQESA-N 1 2 318.337 1.383 20 5 DDBDLO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592488717 355597342 /nfs/dbraw/zinc/59/73/42/355597342.db2.gz MIUAYSLRHHNYAV-YWPYICTPSA-N 1 2 320.393 1.981 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2nncn2C)c1 ZINC000593023627 355772764 /nfs/dbraw/zinc/77/27/64/355772764.db2.gz XUCFJQJFOQQNSP-SECBINFHSA-N 1 2 319.321 1.361 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[NH+]1CCC(O)CC1 ZINC000595054307 356376711 /nfs/dbraw/zinc/37/67/11/356376711.db2.gz ZHMZKKHBJBYRJN-GFCCVEGCSA-N 1 2 323.393 1.711 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469716 356504737 /nfs/dbraw/zinc/50/47/37/356504737.db2.gz XDIWDQYGQCGJJG-GFCCVEGCSA-N 1 2 311.357 1.886 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595520639 356531078 /nfs/dbraw/zinc/53/10/78/356531078.db2.gz QVSYYKMBRPCYGM-GMSGAONNSA-N 1 2 309.244 1.636 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595520639 356531083 /nfs/dbraw/zinc/53/10/83/356531083.db2.gz QVSYYKMBRPCYGM-GMSGAONNSA-N 1 2 309.244 1.636 20 5 DDBDLO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O ZINC000595709354 356617952 /nfs/dbraw/zinc/61/79/52/356617952.db2.gz FIKYNMXDKFDSFB-YRGRVCCFSA-N 1 2 322.361 1.491 20 5 DDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC(=O)N(C)CC1 ZINC000595780080 356649743 /nfs/dbraw/zinc/64/97/43/356649743.db2.gz CJKRIRTYRPKMEI-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595780080 356649745 /nfs/dbraw/zinc/64/97/45/356649745.db2.gz CJKRIRTYRPKMEI-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596543156 356912178 /nfs/dbraw/zinc/91/21/78/356912178.db2.gz LXGIEEXUPXUURL-VIFPVBQESA-N 1 2 324.362 1.905 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000597998668 357414500 /nfs/dbraw/zinc/41/45/00/357414500.db2.gz PYUGSFHHCLEGPQ-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000597998668 357414504 /nfs/dbraw/zinc/41/45/04/357414504.db2.gz PYUGSFHHCLEGPQ-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO O=C(NCCOCCF)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598562976 357634374 /nfs/dbraw/zinc/63/43/74/357634374.db2.gz WRKQUYFZRIWGET-UHFFFAOYSA-N 1 2 322.296 1.496 20 5 DDBDLO COc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000598944602 357768844 /nfs/dbraw/zinc/76/88/44/357768844.db2.gz QTUWRPXCPQLHJE-JTQLQIEISA-N 1 2 302.290 1.155 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598945866 357769811 /nfs/dbraw/zinc/76/98/11/357769811.db2.gz DAAZYXNNVFAMJA-SECBINFHSA-N 1 2 302.290 1.242 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000599161942 357834417 /nfs/dbraw/zinc/83/44/17/357834417.db2.gz YMVYMCOPUIVBNJ-JTQLQIEISA-N 1 2 317.292 1.939 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000599161942 357834419 /nfs/dbraw/zinc/83/44/19/357834419.db2.gz YMVYMCOPUIVBNJ-JTQLQIEISA-N 1 2 317.292 1.939 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000600182973 358149070 /nfs/dbraw/zinc/14/90/70/358149070.db2.gz JBVVPJADNCNDPF-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000348093736 283365573 /nfs/dbraw/zinc/36/55/73/283365573.db2.gz CRTJZPXOGIRLQB-KOLCDFICSA-N 1 2 322.321 1.377 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601648878 358636754 /nfs/dbraw/zinc/63/67/54/358636754.db2.gz LESJKGNEVWOGDA-SECBINFHSA-N 1 2 304.281 1.675 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC3(C2)CCCO3)c1 ZINC000601962045 358754867 /nfs/dbraw/zinc/75/48/67/358754867.db2.gz CEVRPFOLCALZIT-ZDUSSCGKSA-N 1 2 308.334 1.199 20 5 DDBDLO Cn1cc(C[N@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602434952 358973663 /nfs/dbraw/zinc/97/36/63/358973663.db2.gz HWAJLQSGZMUNEA-UHFFFAOYSA-N 1 2 308.313 1.978 20 5 DDBDLO Cn1cc(C[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602434952 358973668 /nfs/dbraw/zinc/97/36/68/358973668.db2.gz HWAJLQSGZMUNEA-UHFFFAOYSA-N 1 2 308.313 1.978 20 5 DDBDLO CC[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000602782108 359187502 /nfs/dbraw/zinc/18/75/02/359187502.db2.gz LTXQNSRRHCRQEX-KBPBESRZSA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000602782108 359187504 /nfs/dbraw/zinc/18/75/04/359187504.db2.gz LTXQNSRRHCRQEX-KBPBESRZSA-N 1 2 323.397 1.550 20 5 DDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814716 359210351 /nfs/dbraw/zinc/21/03/51/359210351.db2.gz GOYOECVNIBRLDI-DLOVCJGASA-N 1 2 308.338 1.102 20 5 DDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814716 359210355 /nfs/dbraw/zinc/21/03/55/359210355.db2.gz GOYOECVNIBRLDI-DLOVCJGASA-N 1 2 308.338 1.102 20 5 DDBDLO Nc1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000610521292 360459988 /nfs/dbraw/zinc/45/99/88/360459988.db2.gz SKWJNJXPMMCDGF-LLVKDONJSA-N 1 2 315.333 1.851 20 5 DDBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC[NH+](C)CC1 ZINC000611535020 360750940 /nfs/dbraw/zinc/75/09/40/360750940.db2.gz WUKKHBVSDRPICE-JTQLQIEISA-N 1 2 307.350 1.761 20 5 DDBDLO COc1cc(C(=O)NC2C[NH+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000275284251 212247836 /nfs/dbraw/zinc/24/78/36/212247836.db2.gz VYEZMZZSWYCFAF-UHFFFAOYSA-N 1 2 323.349 1.434 20 5 DDBDLO CCOCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000093312481 193228776 /nfs/dbraw/zinc/22/87/76/193228776.db2.gz FWKIAIGIYZXLGB-UHFFFAOYSA-N 1 2 311.338 1.510 20 5 DDBDLO CCOCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000093312481 193228778 /nfs/dbraw/zinc/22/87/78/193228778.db2.gz FWKIAIGIYZXLGB-UHFFFAOYSA-N 1 2 311.338 1.510 20 5 DDBDLO CC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)on1 ZINC000566414708 304152379 /nfs/dbraw/zinc/15/23/79/304152379.db2.gz SYCSIAMLCWALST-UHFFFAOYSA-N 1 2 319.321 1.819 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093608090 193273030 /nfs/dbraw/zinc/27/30/30/193273030.db2.gz KLZFBWYTENNAAF-UHFFFAOYSA-N 1 2 315.333 1.276 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093608090 193273031 /nfs/dbraw/zinc/27/30/31/193273031.db2.gz KLZFBWYTENNAAF-UHFFFAOYSA-N 1 2 315.333 1.276 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000350396832 284190598 /nfs/dbraw/zinc/19/05/98/284190598.db2.gz RNDPPTFISCPUAZ-LLVKDONJSA-N 1 2 324.362 1.467 20 5 DDBDLO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000176086554 284346702 /nfs/dbraw/zinc/34/67/02/284346702.db2.gz JQVQEFLRBLBDAQ-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000176086554 284346703 /nfs/dbraw/zinc/34/67/03/284346703.db2.gz JQVQEFLRBLBDAQ-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO Cn1cc[nH+]c1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271665279 209108190 /nfs/dbraw/zinc/10/81/90/209108190.db2.gz VVXBRTSUXAJICP-UHFFFAOYSA-N 1 2 316.364 1.405 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC000284426811 218022124 /nfs/dbraw/zinc/02/21/24/218022124.db2.gz YHIPXILFIFFEDL-NSHDSACASA-N 1 2 304.306 1.651 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC000284426811 218022126 /nfs/dbraw/zinc/02/21/26/218022126.db2.gz YHIPXILFIFFEDL-NSHDSACASA-N 1 2 304.306 1.651 20 5 DDBDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273962982 211218941 /nfs/dbraw/zinc/21/89/41/211218941.db2.gz GSUHYRRXJKHAPI-UWVGGRQHSA-N 1 2 318.337 1.401 20 5 DDBDLO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000104774617 194037782 /nfs/dbraw/zinc/03/77/82/194037782.db2.gz BUKJINKKUWPHCK-NEPJUHHUSA-N 1 2 322.365 1.826 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000284689366 218134855 /nfs/dbraw/zinc/13/48/55/218134855.db2.gz PVBNCXQONWDCSK-XHSDSOJGSA-N 1 2 306.362 1.957 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000284689366 218134856 /nfs/dbraw/zinc/13/48/56/218134856.db2.gz PVBNCXQONWDCSK-XHSDSOJGSA-N 1 2 306.362 1.957 20 5 DDBDLO Cn1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000340641790 251149794 /nfs/dbraw/zinc/14/97/94/251149794.db2.gz IZHMPICZNRGBQT-SNVBAGLBSA-N 1 2 303.322 1.676 20 5 DDBDLO COc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000154966371 197009330 /nfs/dbraw/zinc/00/93/30/197009330.db2.gz DJKHJYPETKEQCI-UHFFFAOYSA-N 1 2 318.333 1.962 20 5 DDBDLO CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121563837 195306189 /nfs/dbraw/zinc/30/61/89/195306189.db2.gz NRZJZUNMSCWGPH-FNORWQNLSA-N 1 2 318.377 1.955 20 5 DDBDLO Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000283853797 292063150 /nfs/dbraw/zinc/06/31/50/292063150.db2.gz BIUDEHZJTZISIG-GJZGRUSLSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000283853797 292063151 /nfs/dbraw/zinc/06/31/51/292063151.db2.gz BIUDEHZJTZISIG-GJZGRUSLSA-N 1 2 319.361 1.448 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000070977096 406829577 /nfs/dbraw/zinc/82/95/77/406829577.db2.gz RHGNZVOXXRIYLH-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000122435276 407300923 /nfs/dbraw/zinc/30/09/23/407300923.db2.gz VJNKKTCLQOQDAB-UHFFFAOYSA-N 1 2 300.380 1.850 20 5 DDBDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000122435276 407300925 /nfs/dbraw/zinc/30/09/25/407300925.db2.gz VJNKKTCLQOQDAB-UHFFFAOYSA-N 1 2 300.380 1.850 20 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/nfs/dbraw/zinc/88/40/89/407884089.db2.gz PGKRVARTXNTDIL-GFCCVEGCSA-N 1 2 323.349 1.322 20 5 DDBDLO COc1ccc(OCC[N@H+]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000173504063 407884098 /nfs/dbraw/zinc/88/40/98/407884098.db2.gz PGKRVARTXNTDIL-GFCCVEGCSA-N 1 2 323.349 1.322 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000154730115 408075791 /nfs/dbraw/zinc/07/57/91/408075791.db2.gz QQNLWHVODKMTFS-UHFFFAOYSA-N 1 2 302.334 1.883 20 5 DDBDLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176309216 408336783 /nfs/dbraw/zinc/33/67/83/408336783.db2.gz GRKKVCUEICRVSP-OLZOCXBDSA-N 1 2 319.361 1.999 20 5 DDBDLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176309216 408336790 /nfs/dbraw/zinc/33/67/90/408336790.db2.gz GRKKVCUEICRVSP-OLZOCXBDSA-N 1 2 319.361 1.999 20 5 DDBDLO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000264222949 408410153 /nfs/dbraw/zinc/41/01/53/408410153.db2.gz HFQVFXXGIZSUJH-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@H](O)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177470208 408630192 /nfs/dbraw/zinc/63/01/92/408630192.db2.gz RYGFBPWMTIXKIO-NSHDSACASA-N 1 2 318.333 1.623 20 5 DDBDLO C[NH+](C)C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCCC1 ZINC000280856575 408847958 /nfs/dbraw/zinc/84/79/58/408847958.db2.gz WQFGELUUQINQIU-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285997649 408905329 /nfs/dbraw/zinc/90/53/29/408905329.db2.gz YEELCUXPTJSUDC-DOMZBBRYSA-N 1 2 319.361 1.530 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCOCC3)[nH+]c2)s1 ZINC000281718489 408916528 /nfs/dbraw/zinc/91/65/28/408916528.db2.gz ACRCQKOUIHIMAD-UHFFFAOYSA-N 1 2 321.362 1.895 20 5 DDBDLO COc1cc(C(=O)NCCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000191552622 163192419 /nfs/dbraw/zinc/19/24/19/163192419.db2.gz CZVRTNBRMUYBKB-UHFFFAOYSA-N 1 2 304.306 1.607 20 5 DDBDLO O=[N+]([O-])c1c(NCC2([NH+]3CCOCC3)CC2)nc2sccn21 ZINC000277405481 408934032 /nfs/dbraw/zinc/93/40/32/408934032.db2.gz KHLVSFOGDPEIQY-UHFFFAOYSA-N 1 2 323.378 1.581 20 5 DDBDLO C[C@@H](O)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279185083 409166200 /nfs/dbraw/zinc/16/62/00/409166200.db2.gz SXRXAVPQYNHAOU-LLVKDONJSA-N 1 2 318.333 1.671 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000283585437 409180739 /nfs/dbraw/zinc/18/07/39/409180739.db2.gz WVYOUFTYNQBUKZ-UHFFFAOYSA-N 1 2 319.361 1.914 20 5 DDBDLO C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000283786861 409216776 /nfs/dbraw/zinc/21/67/76/409216776.db2.gz ONENPFBEGFNKRN-LBPRGKRZSA-N 1 2 321.377 1.883 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284336127 409325523 /nfs/dbraw/zinc/32/55/23/409325523.db2.gz CFYJFQJKSASJBO-LSDHHAIUSA-N 1 2 319.361 1.069 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284336127 409325527 /nfs/dbraw/zinc/32/55/27/409325527.db2.gz CFYJFQJKSASJBO-LSDHHAIUSA-N 1 2 319.361 1.069 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000295569812 409352237 /nfs/dbraw/zinc/35/22/37/409352237.db2.gz GBKBBECYMAXZFT-UHFFFAOYSA-N 1 2 304.306 1.750 20 5 DDBDLO CNc1c(C(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000321762375 164045204 /nfs/dbraw/zinc/04/52/04/164045204.db2.gz QCUMVKWDWBQYMN-LLVKDONJSA-N 1 2 322.365 1.087 20 5 DDBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1COC[C@H]1O ZINC000285503235 409468926 /nfs/dbraw/zinc/46/89/26/409468926.db2.gz JILHQIWMYRRXOY-ZIAGYGMSSA-N 1 2 319.317 1.441 20 5 DDBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1COC[C@H]1O ZINC000285503235 409468932 /nfs/dbraw/zinc/46/89/32/409468932.db2.gz JILHQIWMYRRXOY-ZIAGYGMSSA-N 1 2 319.317 1.441 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CCO)CC1 ZINC000347332621 410476718 /nfs/dbraw/zinc/47/67/18/410476718.db2.gz GUOMMKIDPYECRR-KAMYIIQDSA-N 1 2 305.378 1.608 20 5 DDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000347393972 410517925 /nfs/dbraw/zinc/51/79/25/410517925.db2.gz UTGKHUHLVZEDIT-UHFFFAOYSA-N 1 2 324.381 1.116 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000347629093 410640069 /nfs/dbraw/zinc/64/00/69/410640069.db2.gz KLIUPDDXMOPAPC-CQSZACIVSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000347629093 410640076 /nfs/dbraw/zinc/64/00/76/410640076.db2.gz KLIUPDDXMOPAPC-CQSZACIVSA-N 1 2 321.377 1.744 20 5 DDBDLO CNc1c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000359410282 410646585 /nfs/dbraw/zinc/64/65/85/410646585.db2.gz FGUBPAXVLFHAGZ-VIFPVBQESA-N 1 2 315.333 1.647 20 5 DDBDLO CNc1c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000359410282 410646589 /nfs/dbraw/zinc/64/65/89/410646589.db2.gz FGUBPAXVLFHAGZ-VIFPVBQESA-N 1 2 315.333 1.647 20 5 DDBDLO Cc1nn(C)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000301627193 410758587 /nfs/dbraw/zinc/75/85/87/410758587.db2.gz HDCBAOHPOZIYKD-LBPRGKRZSA-N 1 2 303.322 1.689 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330658457 410856533 /nfs/dbraw/zinc/85/65/33/410856533.db2.gz PCVFTWSCDKGHSJ-IINYFYTJSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330658457 410856539 /nfs/dbraw/zinc/85/65/39/410856539.db2.gz PCVFTWSCDKGHSJ-IINYFYTJSA-N 1 2 323.349 1.245 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000348301606 410910925 /nfs/dbraw/zinc/91/09/25/410910925.db2.gz KIMSIIOYXLMADS-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000348301606 410910932 /nfs/dbraw/zinc/91/09/32/410910932.db2.gz KIMSIIOYXLMADS-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000348426247 410959939 /nfs/dbraw/zinc/95/99/39/410959939.db2.gz WEMDUXSEHYYFOR-UHFFFAOYSA-N 1 2 301.302 1.857 20 5 DDBDLO Cn1cc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000353434004 410983164 /nfs/dbraw/zinc/98/31/64/410983164.db2.gz IBTATYZQENJDPX-UHFFFAOYSA-N 1 2 315.377 1.646 20 5 DDBDLO Cn1cc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000353434004 410983170 /nfs/dbraw/zinc/98/31/70/410983170.db2.gz IBTATYZQENJDPX-UHFFFAOYSA-N 1 2 315.377 1.646 20 5 DDBDLO CCOC(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136805486 196553790 /nfs/dbraw/zinc/55/37/90/196553790.db2.gz VVIVUWPFDIAWFU-AWEZNQCLSA-N 1 2 323.349 1.402 20 5 DDBDLO CC(C)OC[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000366731497 418510363 /nfs/dbraw/zinc/51/03/63/418510363.db2.gz GEAWFFZWIWURNB-CVEARBPZSA-N 1 2 324.377 1.754 20 5 DDBDLO CC(C)OC[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000366731497 418510366 /nfs/dbraw/zinc/51/03/66/418510366.db2.gz GEAWFFZWIWURNB-CVEARBPZSA-N 1 2 324.377 1.754 20 5 DDBDLO COc1ccc2c(c1)OCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000374764276 418560904 /nfs/dbraw/zinc/56/09/04/418560904.db2.gz HJYWKTHKJSHYKL-UHFFFAOYSA-N 1 2 318.333 1.695 20 5 DDBDLO COc1ccc2c(c1)OCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000374764276 418560908 /nfs/dbraw/zinc/56/09/08/418560908.db2.gz HJYWKTHKJSHYKL-UHFFFAOYSA-N 1 2 318.333 1.695 20 5 DDBDLO COc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000371308466 418777649 /nfs/dbraw/zinc/77/76/49/418777649.db2.gz OPPSSSVTEAHGHJ-JTQLQIEISA-N 1 2 316.317 1.614 20 5 DDBDLO COc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000371308466 418777650 /nfs/dbraw/zinc/77/76/50/418777650.db2.gz OPPSSSVTEAHGHJ-JTQLQIEISA-N 1 2 316.317 1.614 20 5 DDBDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000372334081 418857482 /nfs/dbraw/zinc/85/74/82/418857482.db2.gz QDKIMZBNDUHSCH-LLVKDONJSA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000372334081 418857484 /nfs/dbraw/zinc/85/74/84/418857484.db2.gz QDKIMZBNDUHSCH-LLVKDONJSA-N 1 2 300.318 1.914 20 5 DDBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000365305783 418850681 /nfs/dbraw/zinc/85/06/81/418850681.db2.gz BAYMZYNJJUJTQN-UHFFFAOYSA-N 1 2 304.310 1.123 20 5 DDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000427995342 419783183 /nfs/dbraw/zinc/78/31/83/419783183.db2.gz KOBNYHWIQNAFID-SNVBAGLBSA-N 1 2 304.281 1.675 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000428070538 419804524 /nfs/dbraw/zinc/80/45/24/419804524.db2.gz BLHVMTQFNNJXCM-LLVKDONJSA-N 1 2 322.365 1.018 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000428070538 419804529 /nfs/dbraw/zinc/80/45/29/419804529.db2.gz BLHVMTQFNNJXCM-LLVKDONJSA-N 1 2 322.365 1.018 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428062262 419807892 /nfs/dbraw/zinc/80/78/92/419807892.db2.gz YNTNPKXFNJWSGL-OAHLLOKOSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428062262 419807900 /nfs/dbraw/zinc/80/79/00/419807900.db2.gz YNTNPKXFNJWSGL-OAHLLOKOSA-N 1 2 321.377 1.364 20 5 DDBDLO Cc1sc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428357910 419854526 /nfs/dbraw/zinc/85/45/26/419854526.db2.gz GFGHYCDWZMIKRF-VIFPVBQESA-N 1 2 306.347 1.906 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420584310 420322822 /nfs/dbraw/zinc/32/28/22/420322822.db2.gz MNBAUZFAVGYCKY-UHFFFAOYSA-N 1 2 322.365 1.216 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420584310 420322824 /nfs/dbraw/zinc/32/28/24/420322824.db2.gz MNBAUZFAVGYCKY-UHFFFAOYSA-N 1 2 322.365 1.216 20 5 DDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000492776233 420662038 /nfs/dbraw/zinc/66/20/38/420662038.db2.gz ZCFSXZYGZJYBSW-BHQIHCQQSA-N 1 2 302.290 1.526 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000455042158 420961811 /nfs/dbraw/zinc/96/18/11/420961811.db2.gz ODXOKUNMAIPADA-SCZZXKLOSA-N 1 2 302.294 1.436 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449529675 421022239 /nfs/dbraw/zinc/02/22/39/421022239.db2.gz YXYNBLMTLNECLI-CQSZACIVSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449529675 421022242 /nfs/dbraw/zinc/02/22/42/421022242.db2.gz YXYNBLMTLNECLI-CQSZACIVSA-N 1 2 312.391 1.994 20 5 DDBDLO CCCc1n[nH]c(C(=O)N[C@H](C)c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000456385652 421156850 /nfs/dbraw/zinc/15/68/50/421156850.db2.gz MECXDJJJOMNBBL-SECBINFHSA-N 1 2 320.353 1.978 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456439586 421167746 /nfs/dbraw/zinc/16/77/46/421167746.db2.gz YAGICIVAPZWSHR-PRHODGIISA-N 1 2 302.290 1.933 20 5 DDBDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000523436711 421238803 /nfs/dbraw/zinc/23/88/03/421238803.db2.gz NVFMWDCOWQWUKD-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000523436711 421238807 /nfs/dbraw/zinc/23/88/07/421238807.db2.gz NVFMWDCOWQWUKD-LBPRGKRZSA-N 1 2 307.350 1.354 20 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1.744 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931168568 714020938 /nfs/dbraw/zinc/02/09/38/714020938.db2.gz KVVFJSOXFXMEEB-GFCCVEGCSA-N 1 2 301.387 1.840 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[N+](=O)[O-] ZINC000931168568 714020942 /nfs/dbraw/zinc/02/09/42/714020942.db2.gz KVVFJSOXFXMEEB-GFCCVEGCSA-N 1 2 301.387 1.840 20 5 DDBDLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001059844931 741790127 /nfs/dbraw/zinc/79/01/27/741790127.db2.gz IPYKDDQOUFSYKJ-PHIMTYICSA-N 1 2 315.333 1.620 20 5 DDBDLO Cc1csc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001002782662 743423980 /nfs/dbraw/zinc/42/39/80/743423980.db2.gz NGRKBPUSMCLKFB-VXGBXAGGSA-N 1 2 324.406 1.197 20 5 DDBDLO Cc1cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC001186740285 744441735 /nfs/dbraw/zinc/44/17/35/744441735.db2.gz VZZAGAQDBYVPLX-UHFFFAOYSA-N 1 2 301.306 1.713 20 5 DDBDLO COc1ccc(C[C@@H](C)[NH2+]CC(F)(F)CO)c([N+](=O)[O-])c1 ZINC001170313467 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CCc1[nH]cc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[nH+]1 ZINC001178670171 779129903 /nfs/dbraw/zinc/12/99/03/779129903.db2.gz STJUXGYCBKQWMN-UHFFFAOYSA-N 1 2 306.326 1.128 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001275174760 852867917 /nfs/dbraw/zinc/86/79/17/852867917.db2.gz XJINJDACRDQQHF-UHFFFAOYSA-N 1 2 308.725 1.954 20 5 DDBDLO COc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157580701 863944971 /nfs/dbraw/zinc/94/49/71/863944971.db2.gz DVQBMTNOOJKKTL-SNVBAGLBSA-N 1 2 308.338 1.274 20 5 DDBDLO COc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157580701 863944983 /nfs/dbraw/zinc/94/49/83/863944983.db2.gz DVQBMTNOOJKKTL-SNVBAGLBSA-N 1 2 308.338 1.274 20 5 DDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCc1[nH+]ccn1C ZINC001346962009 873953214 /nfs/dbraw/zinc/95/32/14/873953214.db2.gz ONKONFNZUCRQGY-UHFFFAOYSA-N 1 2 316.361 1.962 20 5 DDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001261783644 899763253 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COCC[N@@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000051922417 352596716 /nfs/dbraw/zinc/59/67/16/352596716.db2.gz VSLSZBKVUYHQHD-UHFFFAOYSA-N 1 2 309.366 1.440 20 5 DDBDLO Cc1n[nH]c(C(=O)NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000068420343 353110104 /nfs/dbraw/zinc/11/01/04/353110104.db2.gz RMYMKYOZAPBZTI-UHFFFAOYSA-N 1 2 318.337 1.643 20 5 DDBDLO CCOC(=O)C1(O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000081017703 353645106 /nfs/dbraw/zinc/64/51/06/353645106.db2.gz DXTJLUAFTREKJJ-UHFFFAOYSA-N 1 2 308.334 1.485 20 5 DDBDLO COC(=O)[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000081152584 353653580 /nfs/dbraw/zinc/65/35/80/353653580.db2.gz GXXGGHGGDWEQKD-OAHLLOKOSA-N 1 2 308.334 1.905 20 5 DDBDLO CCCC(=O)NC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595290924 356435539 /nfs/dbraw/zinc/43/55/39/356435539.db2.gz NUMYBCLLYAZDEK-UHFFFAOYSA-N 1 2 310.354 1.772 20 5 DDBDLO Cc1noc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595503334 356521471 /nfs/dbraw/zinc/52/14/71/356521471.db2.gz ROXMRAJWFOYPGU-ZDUSSCGKSA-N 1 2 305.334 1.927 20 5 DDBDLO Cc1noc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595503334 356521476 /nfs/dbraw/zinc/52/14/76/356521476.db2.gz ROXMRAJWFOYPGU-ZDUSSCGKSA-N 1 2 305.334 1.927 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757059 356638886 /nfs/dbraw/zinc/63/88/86/356638886.db2.gz LVYROGJULCWBQA-XHDPSFHLSA-N 1 2 305.334 1.298 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757059 356638893 /nfs/dbraw/zinc/63/88/93/356638893.db2.gz LVYROGJULCWBQA-XHDPSFHLSA-N 1 2 305.334 1.298 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC(CO)(CO)C1 ZINC000595802076 356656958 /nfs/dbraw/zinc/65/69/58/356656958.db2.gz YTTOGCROKYMNAN-UHFFFAOYSA-N 1 2 300.742 1.425 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595802076 356656961 /nfs/dbraw/zinc/65/69/61/356656961.db2.gz YTTOGCROKYMNAN-UHFFFAOYSA-N 1 2 300.742 1.425 20 5 DDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597856993 357360110 /nfs/dbraw/zinc/36/01/10/357360110.db2.gz IVMKUIKKOBZYPX-UHFFFAOYSA-N 1 2 316.317 1.939 20 5 DDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597856993 357360114 /nfs/dbraw/zinc/36/01/14/357360114.db2.gz IVMKUIKKOBZYPX-UHFFFAOYSA-N 1 2 316.317 1.939 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000597994097 357410652 /nfs/dbraw/zinc/41/06/52/357410652.db2.gz AIKLVKIJJMEBDE-GHMZBOCLSA-N 1 2 323.349 1.139 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000597994097 357410657 /nfs/dbraw/zinc/41/06/57/357410657.db2.gz AIKLVKIJJMEBDE-GHMZBOCLSA-N 1 2 323.349 1.139 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598940840 357766567 /nfs/dbraw/zinc/76/65/67/357766567.db2.gz ATMDAOIJCKLBRB-SECBINFHSA-N 1 2 302.290 1.155 20 5 DDBDLO Nc1c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc(F)cc1[N+](=O)[O-] ZINC000598949603 357772511 /nfs/dbraw/zinc/77/25/11/357772511.db2.gz XEMNUKDGULQBNT-SECBINFHSA-N 1 2 319.296 1.257 20 5 DDBDLO O=[N+]([O-])c1c(NC2CC([NH+]3CCOCC3)C2)nc2sccn21 ZINC000599093999 357813743 /nfs/dbraw/zinc/81/37/43/357813743.db2.gz CKTMGNSXZIMDQX-UHFFFAOYSA-N 1 2 323.378 1.579 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000599161429 357833653 /nfs/dbraw/zinc/83/36/53/357833653.db2.gz ZSNOUUSPIKLAKQ-NSHDSACASA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000599161429 357833657 /nfs/dbraw/zinc/83/36/57/357833657.db2.gz ZSNOUUSPIKLAKQ-NSHDSACASA-N 1 2 302.334 1.886 20 5 DDBDLO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000602898613 359280172 /nfs/dbraw/zinc/28/01/72/359280172.db2.gz NJXILQAMFGHZOU-OAHLLOKOSA-N 1 2 323.349 1.537 20 5 DDBDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000602898613 359280175 /nfs/dbraw/zinc/28/01/75/359280175.db2.gz NJXILQAMFGHZOU-OAHLLOKOSA-N 1 2 323.349 1.537 20 5 DDBDLO O=[N+]([O-])c1cccc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000603164128 359449198 /nfs/dbraw/zinc/44/91/98/359449198.db2.gz SBTYEFZHVMMJPY-UHFFFAOYSA-N 1 2 317.349 1.109 20 5 DDBDLO O=C(CCn1cc[nH+]c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276337121 212813685 /nfs/dbraw/zinc/81/36/85/212813685.db2.gz LWGOJGJJQUWIRS-UHFFFAOYSA-N 1 2 316.317 1.471 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[N@H+](C)CCO)nn1 ZINC000603209740 359483023 /nfs/dbraw/zinc/48/30/23/359483023.db2.gz AJMYXMDUENAILE-NSHDSACASA-N 1 2 305.338 1.220 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[N@@H+](C)CCO)nn1 ZINC000603209740 359483028 /nfs/dbraw/zinc/48/30/28/359483028.db2.gz AJMYXMDUENAILE-NSHDSACASA-N 1 2 305.338 1.220 20 5 DDBDLO O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)CCn1cc[nH+]c1 ZINC000603290787 359546247 /nfs/dbraw/zinc/54/62/47/359546247.db2.gz XNWXPWWBTUNYSD-UHFFFAOYSA-N 1 2 322.346 1.184 20 5 DDBDLO CCCN1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000189383789 200391518 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DDBDLO CC(C)NC(=O)CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061784802 184187333 /nfs/dbraw/zinc/18/73/33/184187333.db2.gz JUZZWXBDBDCDHJ-UHFFFAOYSA-N 1 2 320.393 1.237 20 5 DDBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061784802 184187334 /nfs/dbraw/zinc/18/73/34/184187334.db2.gz JUZZWXBDBDCDHJ-UHFFFAOYSA-N 1 2 320.393 1.237 20 5 DDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000269164989 207287855 /nfs/dbraw/zinc/28/78/55/207287855.db2.gz DRRQRIREFOGPCO-UHFFFAOYSA-N 1 2 305.334 1.468 20 5 DDBDLO O=C(N[C@H]1C[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412400116 224023458 /nfs/dbraw/zinc/02/34/58/224023458.db2.gz CBQSMYGOYZLHAQ-PHIMTYICSA-N 1 2 302.290 1.034 20 5 DDBDLO COc1cc(C(=O)N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])cc1F ZINC000294592667 224107952 /nfs/dbraw/zinc/10/79/52/224107952.db2.gz YQEJYSZNGOFKOL-UHFFFAOYSA-N 1 2 322.296 1.748 20 5 DDBDLO Cc1nn(C)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000178068823 306688865 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CC(C)OC1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000899901053 709231235 /nfs/dbraw/zinc/23/12/35/709231235.db2.gz BPCCYQNENCRHHN-ZDUSSCGKSA-N 1 2 310.350 1.444 20 5 DDBDLO CCOC(=O)c1cnc(NCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001167615039 734833973 /nfs/dbraw/zinc/83/39/73/734833973.db2.gz WJPZWGBUCJRYMN-UHFFFAOYSA-N 1 2 317.305 1.756 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001181567558 743265397 /nfs/dbraw/zinc/26/53/97/743265397.db2.gz IRYYSOGMMXOIKJ-UHFFFAOYSA-N 1 2 318.337 1.146 20 5 DDBDLO O=C(NCC1CC[NH+](Cc2nccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001396465 762822745 /nfs/dbraw/zinc/82/27/45/762822745.db2.gz RBMKBTFPLVMWMA-VXGBXAGGSA-N 1 2 324.406 1.137 20 5 DDBDLO Cc1cnc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001045436902 766305487 /nfs/dbraw/zinc/30/54/87/766305487.db2.gz XGOILYTYPIPBLR-VXGBXAGGSA-N 1 2 322.365 1.119 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC001116433422 780509044 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O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)cn1 ZINC000073349880 353249083 /nfs/dbraw/zinc/24/90/83/353249083.db2.gz SZJPDQOQNGLCEU-UHFFFAOYSA-N 1 2 315.333 1.834 20 5 DDBDLO COC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243998 198309827 /nfs/dbraw/zinc/30/98/27/198309827.db2.gz LRPSWRZTPMNNLF-NSHDSACASA-N 1 2 308.334 2.000 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000075618978 353372000 /nfs/dbraw/zinc/37/20/00/353372000.db2.gz HLDMFRPOTKWAAI-ZDUSSCGKSA-N 1 2 320.393 1.362 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000075618978 353372002 /nfs/dbraw/zinc/37/20/02/353372002.db2.gz HLDMFRPOTKWAAI-ZDUSSCGKSA-N 1 2 320.393 1.362 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077570329 353476065 /nfs/dbraw/zinc/47/60/65/353476065.db2.gz JGVZUOVJTRXROO-UHFFFAOYSA-N 1 2 318.333 1.756 20 5 DDBDLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000079876686 353579707 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DDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000590602350 355128169 /nfs/dbraw/zinc/12/81/69/355128169.db2.gz WPLLDNJWWZMOGR-GFCCVEGCSA-N 1 2 318.333 1.116 20 5 DDBDLO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593115166 355804164 /nfs/dbraw/zinc/80/41/64/355804164.db2.gz CRDAPOGCKMPVFM-HUUCEWRRSA-N 1 2 322.361 1.852 20 5 DDBDLO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593115166 355804168 /nfs/dbraw/zinc/80/41/68/355804168.db2.gz CRDAPOGCKMPVFM-HUUCEWRRSA-N 1 2 322.361 1.852 20 5 DDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099486 356112390 /nfs/dbraw/zinc/11/23/90/356112390.db2.gz QDAJATGLUSPIJY-SDDRHHMPSA-N 1 2 322.365 1.217 20 5 DDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099486 356112391 /nfs/dbraw/zinc/11/23/91/356112391.db2.gz QDAJATGLUSPIJY-SDDRHHMPSA-N 1 2 322.365 1.217 20 5 DDBDLO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCSCC3)nn2)cc1 ZINC000594649603 356273795 /nfs/dbraw/zinc/27/37/95/356273795.db2.gz CPUCJYOGYDPHEL-UHFFFAOYSA-N 1 2 319.390 1.783 20 5 DDBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nnnn1C1CC1 ZINC000594498244 356238583 /nfs/dbraw/zinc/23/85/83/356238583.db2.gz ILBSSYRWDRSDOY-GFCCVEGCSA-N 1 2 300.322 1.693 20 5 DDBDLO Cc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)co1 ZINC000595375379 356470143 /nfs/dbraw/zinc/47/01/43/356470143.db2.gz OYKGYIQYLCRTPQ-LLVKDONJSA-N 1 2 303.322 1.973 20 5 DDBDLO Cc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)co1 ZINC000595375379 356470146 /nfs/dbraw/zinc/47/01/46/356470146.db2.gz OYKGYIQYLCRTPQ-LLVKDONJSA-N 1 2 303.322 1.973 20 5 DDBDLO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595466183 356503943 /nfs/dbraw/zinc/50/39/43/356503943.db2.gz SIVLKTCPUCOQGM-LLVKDONJSA-N 1 2 317.349 1.931 20 5 DDBDLO C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595466184 356504183 /nfs/dbraw/zinc/50/41/83/356504183.db2.gz SIVLKTCPUCOQGM-NSHDSACASA-N 1 2 317.349 1.931 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595468549 356505338 /nfs/dbraw/zinc/50/53/38/356505338.db2.gz ZWGIKGVGJIWAMK-BXUZGUMPSA-N 1 2 311.338 1.661 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595468549 356505341 /nfs/dbraw/zinc/50/53/41/356505341.db2.gz ZWGIKGVGJIWAMK-BXUZGUMPSA-N 1 2 311.338 1.661 20 5 DDBDLO COc1ccc(OCC[N@H+](C)Cc2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000595703480 356614751 /nfs/dbraw/zinc/61/47/51/356614751.db2.gz DUSCEMBHFNPUIV-UHFFFAOYSA-N 1 2 322.321 1.806 20 5 DDBDLO COc1ccc(OCC[N@@H+](C)Cc2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000595703480 356614757 /nfs/dbraw/zinc/61/47/57/356614757.db2.gz DUSCEMBHFNPUIV-UHFFFAOYSA-N 1 2 322.321 1.806 20 5 DDBDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595662320 356598054 /nfs/dbraw/zinc/59/80/54/356598054.db2.gz LQIVHLWWJKOTIR-TVQRCGJNSA-N 1 2 321.289 1.156 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 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305.294 1.526 20 5 DDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])nc1 ZINC000599129590 357824107 /nfs/dbraw/zinc/82/41/07/357824107.db2.gz APVJGHJEXPJXEP-OAHLLOKOSA-N 1 2 322.365 1.018 20 5 DDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])nc1 ZINC000599129590 357824111 /nfs/dbraw/zinc/82/41/11/357824111.db2.gz APVJGHJEXPJXEP-OAHLLOKOSA-N 1 2 322.365 1.018 20 5 DDBDLO C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000600417736 358215234 /nfs/dbraw/zinc/21/52/34/358215234.db2.gz AMSLCNYGYPIBTA-SMDDNHRTSA-N 1 2 307.350 1.145 20 5 DDBDLO C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000600417736 358215236 /nfs/dbraw/zinc/21/52/36/358215236.db2.gz AMSLCNYGYPIBTA-SMDDNHRTSA-N 1 2 307.350 1.145 20 5 DDBDLO CCC(F)(F)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600760946 358310299 /nfs/dbraw/zinc/31/02/99/358310299.db2.gz IZNWBZWFVQEEAX-JTQLQIEISA-N 1 2 304.293 1.969 20 5 DDBDLO Cn1cc(CN2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])n1 ZINC000602430778 358972004 /nfs/dbraw/zinc/97/20/04/358972004.db2.gz QWQQUQRVDWAYDO-UHFFFAOYSA-N 1 2 316.365 1.041 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1CC(F)F ZINC000602479531 359005752 /nfs/dbraw/zinc/00/57/52/359005752.db2.gz NDPSIRVZJLMYTQ-LLVKDONJSA-N 1 2 317.340 1.490 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1CC(F)F ZINC000602479531 359005756 /nfs/dbraw/zinc/00/57/56/359005756.db2.gz NDPSIRVZJLMYTQ-LLVKDONJSA-N 1 2 317.340 1.490 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(CC(F)(F)CO)CC2)cc1 ZINC000602876051 359259856 /nfs/dbraw/zinc/25/98/56/359259856.db2.gz XHTFIUSJBQQITR-UHFFFAOYSA-N 1 2 315.320 1.340 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603186837 359466499 /nfs/dbraw/zinc/46/64/99/359466499.db2.gz WYBUJFLFUHAGKI-QMTHXVAHSA-N 1 2 303.322 1.457 20 5 DDBDLO CC1(CO)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000186956662 200038193 /nfs/dbraw/zinc/03/81/93/200038193.db2.gz KRAAULLALMDEMA-UHFFFAOYSA-N 1 2 307.350 1.628 20 5 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DDBDLO Cc1nnc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000369017377 307114545 /nfs/dbraw/zinc/11/45/45/307114545.db2.gz OGLFRDDARHYVIL-SNVBAGLBSA-N 1 2 308.367 1.788 20 5 DDBDLO Cc1nnc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000369017377 307114546 /nfs/dbraw/zinc/11/45/46/307114546.db2.gz OGLFRDDARHYVIL-SNVBAGLBSA-N 1 2 308.367 1.788 20 5 DDBDLO Cc1nn(C)c(N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000051593501 352590324 /nfs/dbraw/zinc/59/03/24/352590324.db2.gz PHCDXCSZDUWBEU-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO COC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000053897297 352670746 /nfs/dbraw/zinc/67/07/46/352670746.db2.gz KATBAXXFLUTSBQ-UHFFFAOYSA-N 1 2 307.350 1.953 20 5 DDBDLO CNC(=O)c1ccc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060380053 352869833 /nfs/dbraw/zinc/86/98/33/352869833.db2.gz RZGSBKZFOJLVRB-NSHDSACASA-N 1 2 317.349 1.899 20 5 DDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](O)C1 ZINC000074323765 353306713 /nfs/dbraw/zinc/30/67/13/353306713.db2.gz PEKFGDVYPJBFCH-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](O)C1 ZINC000074323765 353306714 /nfs/dbraw/zinc/30/67/14/353306714.db2.gz PEKFGDVYPJBFCH-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000588823310 354939583 /nfs/dbraw/zinc/93/95/83/354939583.db2.gz RIKHDJZGQAGITO-AAEUAGOBSA-N 1 2 323.397 1.277 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000590598996 355126309 /nfs/dbraw/zinc/12/63/09/355126309.db2.gz BORUFFIOJOIPCP-LLVKDONJSA-N 1 2 315.333 1.634 20 5 DDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC3(C1)CCCOC3)OCCO2 ZINC000590969193 355226522 /nfs/dbraw/zinc/22/65/22/355226522.db2.gz DOSRINQCSKBMHX-UHFFFAOYSA-N 1 2 320.345 1.978 20 5 DDBDLO Cc1[nH]ncc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591724892 355371665 /nfs/dbraw/zinc/37/16/65/355371665.db2.gz NBOHNOWXXMVVOB-ZDUSSCGKSA-N 1 2 306.322 1.156 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CO1 ZINC000592726318 355670938 /nfs/dbraw/zinc/67/09/38/355670938.db2.gz ULGASASCGRPEGE-JQWIXIFHSA-N 1 2 316.317 1.688 20 5 DDBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@H+](C)C1 ZINC000592829759 355706109 /nfs/dbraw/zinc/70/61/09/355706109.db2.gz YGHSWGGIQBPRTR-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@@H+](C)C1 ZINC000592829759 355706112 /nfs/dbraw/zinc/70/61/12/355706112.db2.gz YGHSWGGIQBPRTR-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595506654 356522927 /nfs/dbraw/zinc/52/29/27/356522927.db2.gz FLGRIFFGYMBLDT-LBPRGKRZSA-N 1 2 310.354 1.188 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595506654 356522931 /nfs/dbraw/zinc/52/29/31/356522931.db2.gz FLGRIFFGYMBLDT-LBPRGKRZSA-N 1 2 310.354 1.188 20 5 DDBDLO Cc1noc(CN2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595506654 356522935 /nfs/dbraw/zinc/52/29/35/356522935.db2.gz FLGRIFFGYMBLDT-LBPRGKRZSA-N 1 2 310.354 1.188 20 5 DDBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679365 356607055 /nfs/dbraw/zinc/60/70/55/356607055.db2.gz DLYQRIAMGQHYLS-NSHDSACASA-N 1 2 319.361 1.837 20 5 DDBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679365 356607059 /nfs/dbraw/zinc/60/70/59/356607059.db2.gz DLYQRIAMGQHYLS-NSHDSACASA-N 1 2 319.361 1.837 20 5 DDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000595932366 356710395 /nfs/dbraw/zinc/71/03/95/356710395.db2.gz NFKLCTBVXHDTQK-QMMMGPOBSA-N 1 2 317.305 1.353 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000596247177 356831417 /nfs/dbraw/zinc/83/14/17/356831417.db2.gz LXGQGOKDMINVGG-NSHDSACASA-N 1 2 310.329 1.430 20 5 DDBDLO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000597710493 357297384 /nfs/dbraw/zinc/29/73/84/357297384.db2.gz NPIOUIKGTAWQHW-MRXNPFEDSA-N 1 2 319.361 1.858 20 5 DDBDLO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000597710493 357297388 /nfs/dbraw/zinc/29/73/88/357297388.db2.gz NPIOUIKGTAWQHW-MRXNPFEDSA-N 1 2 319.361 1.858 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598461028 357591127 /nfs/dbraw/zinc/59/11/27/357591127.db2.gz ZNFPCMQGRIEROF-SECBINFHSA-N 1 2 306.326 1.101 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598943079 357768034 /nfs/dbraw/zinc/76/80/34/357768034.db2.gz PRAALLGEOGWPNM-SNVBAGLBSA-N 1 2 301.306 1.188 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950312 357773354 /nfs/dbraw/zinc/77/33/54/357773354.db2.gz QGLQXNDSLSVHJY-LLVKDONJSA-N 1 2 316.317 1.301 20 5 DDBDLO Cc1noc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000348093739 283365612 /nfs/dbraw/zinc/36/56/12/283365612.db2.gz CRTJZPXOGIRLQB-ONGXEEELSA-N 1 2 322.321 1.377 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000602781180 359186064 /nfs/dbraw/zinc/18/60/64/359186064.db2.gz IDTQBXRTQYPCSR-SCZZXKLOSA-N 1 2 322.287 1.751 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000602781180 359186066 /nfs/dbraw/zinc/18/60/66/359186066.db2.gz IDTQBXRTQYPCSR-SCZZXKLOSA-N 1 2 322.287 1.751 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000602782114 359187572 /nfs/dbraw/zinc/18/75/72/359187572.db2.gz LTXQNSRRHCRQEX-UONOGXRCSA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000602782114 359187577 /nfs/dbraw/zinc/18/75/77/359187577.db2.gz LTXQNSRRHCRQEX-UONOGXRCSA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000602834292 359225260 /nfs/dbraw/zinc/22/52/60/359225260.db2.gz YGWBIRFOPXIWAI-ANFZBRINSA-N 1 2 314.411 1.331 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000602834292 359225262 /nfs/dbraw/zinc/22/52/62/359225262.db2.gz YGWBIRFOPXIWAI-ANFZBRINSA-N 1 2 314.411 1.331 20 5 DDBDLO Cc1c(C[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000602901720 359283344 /nfs/dbraw/zinc/28/33/44/359283344.db2.gz DJDQRMWQIZHIJS-AWEZNQCLSA-N 1 2 317.349 1.396 20 5 DDBDLO Cc1c(C[N@H+]2CCO[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000602901720 359283346 /nfs/dbraw/zinc/28/33/46/359283346.db2.gz DJDQRMWQIZHIJS-AWEZNQCLSA-N 1 2 317.349 1.396 20 5 DDBDLO COc1cc([N+](=O)[O-])cn(Cc2ccc(N(C)C)[nH+]c2)c1=O ZINC000603359042 359591257 /nfs/dbraw/zinc/59/12/57/359591257.db2.gz LXBQBAGKWXKMFJ-UHFFFAOYSA-N 1 2 304.306 1.274 20 5 DDBDLO Cc1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000604533035 359762001 /nfs/dbraw/zinc/76/20/01/359762001.db2.gz UFPGPXPWUMNKMA-UHFFFAOYSA-N 1 2 305.290 1.952 20 5 DDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487244 360448085 /nfs/dbraw/zinc/44/80/85/360448085.db2.gz DHQPYCBXXICVIR-SNVBAGLBSA-N 1 2 303.322 1.777 20 5 DDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487244 360448089 /nfs/dbraw/zinc/44/80/89/360448089.db2.gz DHQPYCBXXICVIR-SNVBAGLBSA-N 1 2 303.322 1.777 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191150 360655477 /nfs/dbraw/zinc/65/54/77/360655477.db2.gz RUOJYLFPQFERBK-JTQLQIEISA-N 1 2 303.322 1.777 20 5 DDBDLO C[C@H]1COCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272433 360687086 /nfs/dbraw/zinc/68/70/86/360687086.db2.gz MHBONCGICPRCCS-NSHDSACASA-N 1 2 308.334 1.977 20 5 DDBDLO C[C@H]1COCCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272433 360687087 /nfs/dbraw/zinc/68/70/87/360687087.db2.gz MHBONCGICPRCCS-NSHDSACASA-N 1 2 308.334 1.977 20 5 DDBDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204709 360658691 /nfs/dbraw/zinc/65/86/91/360658691.db2.gz XMWKWUSIWLVVLH-LLVKDONJSA-N 1 2 322.365 1.332 20 5 DDBDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204709 360658694 /nfs/dbraw/zinc/65/86/94/360658694.db2.gz XMWKWUSIWLVVLH-LLVKDONJSA-N 1 2 322.365 1.332 20 5 DDBDLO CN(C(=O)C[N@@H+]1CCOCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611815449 360833162 /nfs/dbraw/zinc/83/31/62/360833162.db2.gz DTARBKBPUIZPPY-UHFFFAOYSA-N 1 2 319.361 1.670 20 5 DDBDLO CN(C(=O)C[N@H+]1CCOCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611815449 360833164 /nfs/dbraw/zinc/83/31/64/360833164.db2.gz DTARBKBPUIZPPY-UHFFFAOYSA-N 1 2 319.361 1.670 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@](C)(O)C[NH+]2CCOCC2)n1 ZINC000359097113 299327515 /nfs/dbraw/zinc/32/75/15/299327515.db2.gz MDZBVGGBLYVKDV-HNNXBMFYSA-N 1 2 324.381 1.102 20 5 DDBDLO CC1(F)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000619419689 364001817 /nfs/dbraw/zinc/00/18/17/364001817.db2.gz GREWDWVXMFDNEL-UHFFFAOYSA-N 1 2 304.281 1.965 20 5 DDBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000619786571 364150134 /nfs/dbraw/zinc/15/01/34/364150134.db2.gz QVFRTZHHFFATLO-UHFFFAOYSA-N 1 2 318.215 1.007 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337672038 249619385 /nfs/dbraw/zinc/61/93/85/249619385.db2.gz WNKZTKYDUPJXPJ-CYBMUJFWSA-N 1 2 301.306 1.105 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)C2)ccc1Br ZINC000159426903 197353443 /nfs/dbraw/zinc/35/34/43/197353443.db2.gz LYGQPWDXVQLHIU-SECBINFHSA-N 1 2 301.140 1.924 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1Br ZINC000159426903 197353444 /nfs/dbraw/zinc/35/34/44/197353444.db2.gz LYGQPWDXVQLHIU-SECBINFHSA-N 1 2 301.140 1.924 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)s1 ZINC000066000545 184384112 /nfs/dbraw/zinc/38/41/12/184384112.db2.gz WRKZQIUZTJMQHE-UHFFFAOYSA-N 1 2 319.408 1.421 20 5 DDBDLO COc1cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352425737 285041724 /nfs/dbraw/zinc/04/17/24/285041724.db2.gz MZIODSHDHOTUCY-JTQLQIEISA-N 1 2 316.379 1.468 20 5 DDBDLO COc1cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352425737 285041726 /nfs/dbraw/zinc/04/17/26/285041726.db2.gz MZIODSHDHOTUCY-JTQLQIEISA-N 1 2 316.379 1.468 20 5 DDBDLO COc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352544932 285130163 /nfs/dbraw/zinc/13/01/63/285130163.db2.gz DUGNFNVHJOWHKW-OLZOCXBDSA-N 1 2 319.361 1.846 20 5 DDBDLO COc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352544932 285130165 /nfs/dbraw/zinc/13/01/65/285130165.db2.gz DUGNFNVHJOWHKW-OLZOCXBDSA-N 1 2 319.361 1.846 20 5 DDBDLO CCS(=O)(=O)NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413108804 224136319 /nfs/dbraw/zinc/13/63/19/224136319.db2.gz MFFWAVXAKOETJC-UHFFFAOYSA-N 1 2 324.362 1.494 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000155140134 197026176 /nfs/dbraw/zinc/02/61/76/197026176.db2.gz LMONWHQBFMAKHL-UHFFFAOYSA-N 1 2 318.333 1.719 20 5 DDBDLO COCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048611065 407102573 /nfs/dbraw/zinc/10/25/73/407102573.db2.gz DFHNHXSGJPIIPW-UHFFFAOYSA-N 1 2 301.730 1.765 20 5 DDBDLO COCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048611065 407102575 /nfs/dbraw/zinc/10/25/75/407102575.db2.gz DFHNHXSGJPIIPW-UHFFFAOYSA-N 1 2 301.730 1.765 20 5 DDBDLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000152213061 407585473 /nfs/dbraw/zinc/58/54/73/407585473.db2.gz TYVAEMMEWSBDHP-KGLIPLIRSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000152213061 407585484 /nfs/dbraw/zinc/58/54/84/407585484.db2.gz TYVAEMMEWSBDHP-KGLIPLIRSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1nc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCCCC2)no1 ZINC000267076352 407739101 /nfs/dbraw/zinc/73/91/01/407739101.db2.gz MAFWXIRXRAUROM-UHFFFAOYSA-N 1 2 320.353 1.932 20 5 DDBDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)[NH2+]1 ZINC000153360670 407806630 /nfs/dbraw/zinc/80/66/30/407806630.db2.gz MMSRKZJIAGKNMF-RKDXNWHRSA-N 1 2 303.322 1.294 20 5 DDBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000134029635 407882221 /nfs/dbraw/zinc/88/22/21/407882221.db2.gz BBTCEIWQGMXHIU-ONGXEEELSA-N 1 2 303.326 1.251 20 5 DDBDLO O=[N+]([O-])c1cnc2ccc(NCCCNc3cccc[nH+]3)nn21 ZINC000180409997 407886227 /nfs/dbraw/zinc/88/62/27/407886227.db2.gz UKIBPHIIPIYJCX-UHFFFAOYSA-N 1 2 313.321 1.947 20 5 DDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180654330 407906995 /nfs/dbraw/zinc/90/69/95/407906995.db2.gz PUGPCRYXDIOSEK-UHFFFAOYSA-N 1 2 315.333 1.568 20 5 DDBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000268214856 407953212 /nfs/dbraw/zinc/95/32/12/407953212.db2.gz BBTCEIWQGMXHIU-GXSJLCMTSA-N 1 2 303.326 1.251 20 5 DDBDLO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000272477726 407942087 /nfs/dbraw/zinc/94/20/87/407942087.db2.gz FNIUWOFZWYSTJE-QWRGUYRKSA-N 1 2 323.349 1.139 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000175121444 408055378 /nfs/dbraw/zinc/05/53/78/408055378.db2.gz VBKGKYAATNPXBT-CYBMUJFWSA-N 1 2 307.350 1.704 20 5 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C[C@H]1OCC[C@@]12C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085780 418428758 /nfs/dbraw/zinc/42/87/58/418428758.db2.gz HBWCOSCTKYTGRL-JTNHKYCSSA-N 1 2 310.354 1.097 20 5 DDBDLO Cc1nn(C)c(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000360635557 418482390 /nfs/dbraw/zinc/48/23/90/418482390.db2.gz GMUORMKFNRLFMP-SNVBAGLBSA-N 1 2 318.337 1.348 20 5 DDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CCCO)CC1 ZINC000360949073 418552345 /nfs/dbraw/zinc/55/23/45/418552345.db2.gz GHUKPZUWJAWZOK-UHFFFAOYSA-N 1 2 307.350 1.302 20 5 DDBDLO O=C(C1CC1)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000360959347 418555063 /nfs/dbraw/zinc/55/50/63/418555063.db2.gz UQONKCIJLBZWIG-HNNXBMFYSA-N 1 2 320.345 1.654 20 5 DDBDLO O=C(C1CC1)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000360959347 418555067 /nfs/dbraw/zinc/55/50/67/418555067.db2.gz UQONKCIJLBZWIG-HNNXBMFYSA-N 1 2 320.345 1.654 20 5 DDBDLO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389691 418633416 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O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597584943 357238832 /nfs/dbraw/zinc/23/88/32/357238832.db2.gz YLXPRRMHKPNWLH-KBPBESRZSA-N 1 2 323.324 1.559 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001306 357417993 /nfs/dbraw/zinc/41/79/93/357417993.db2.gz YYKQCVGTFUUOSB-STQMWFEESA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001306 357417999 /nfs/dbraw/zinc/41/79/99/357417999.db2.gz YYKQCVGTFUUOSB-STQMWFEESA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459266 357590266 /nfs/dbraw/zinc/59/02/66/357590266.db2.gz GPDMXJMQYQBGJX-JTQLQIEISA-N 1 2 304.306 1.585 20 5 DDBDLO COc1c(C(=O)N[C@H](C)c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000598464301 357592540 /nfs/dbraw/zinc/59/25/40/357592540.db2.gz HEUSWLYKUGCJMB-SECBINFHSA-N 1 2 304.306 1.828 20 5 DDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598945868 357769682 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20 5 DDBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339191822 410068255 /nfs/dbraw/zinc/06/82/55/410068255.db2.gz ASNIXAZYIOXFNM-OCCSQVGLSA-N 1 2 321.377 1.595 20 5 DDBDLO Nc1c(C(=O)NCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000351721248 410182266 /nfs/dbraw/zinc/18/22/66/410182266.db2.gz PRHCIDRPWQINHR-UHFFFAOYSA-N 1 2 311.301 1.755 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000194076955 306727919 /nfs/dbraw/zinc/72/79/19/306727919.db2.gz AISCGABIWXKDTG-HNNXBMFYSA-N 1 2 315.329 1.920 20 5 DDBDLO C[C@@H](O)CNc1cc(NCCc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000298886929 410438724 /nfs/dbraw/zinc/43/87/24/410438724.db2.gz LMCZRMKKUBIENL-LLVKDONJSA-N 1 2 317.349 1.832 20 5 DDBDLO C[C@@H](O)CNc1cc(NCCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000298886929 410438729 /nfs/dbraw/zinc/43/87/29/410438729.db2.gz LMCZRMKKUBIENL-LLVKDONJSA-N 1 2 317.349 1.832 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000340226480 410775504 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O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375394556 418633714 /nfs/dbraw/zinc/63/37/14/418633714.db2.gz UONLIBIPHGSIHX-ZDUSSCGKSA-N 1 2 321.381 1.487 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375394556 418633716 /nfs/dbraw/zinc/63/37/16/418633716.db2.gz UONLIBIPHGSIHX-ZDUSSCGKSA-N 1 2 321.381 1.487 20 5 DDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408218244 418793334 /nfs/dbraw/zinc/79/33/34/418793334.db2.gz HMSYDVCKSKHGCK-QWRGUYRKSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408218244 418793337 /nfs/dbraw/zinc/79/33/37/418793337.db2.gz HMSYDVCKSKHGCK-QWRGUYRKSA-N 1 2 313.379 1.308 20 5 DDBDLO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000372935691 418914369 /nfs/dbraw/zinc/91/43/69/418914369.db2.gz SYEJEBPFGFSYNU-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411912665 419475538 /nfs/dbraw/zinc/47/55/38/419475538.db2.gz PZMLUNXDNFQFEZ-SRVKXCTJSA-N 1 2 323.349 1.003 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411912665 419475545 /nfs/dbraw/zinc/47/55/45/419475545.db2.gz PZMLUNXDNFQFEZ-SRVKXCTJSA-N 1 2 323.349 1.003 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428062259 419805856 /nfs/dbraw/zinc/80/58/56/419805856.db2.gz YNTNPKXFNJWSGL-HNNXBMFYSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428062259 419805862 /nfs/dbraw/zinc/80/58/62/419805862.db2.gz YNTNPKXFNJWSGL-HNNXBMFYSA-N 1 2 321.377 1.364 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000430232245 420093463 /nfs/dbraw/zinc/09/34/63/420093463.db2.gz LPYSAKJUQBCELL-CYBMUJFWSA-N 1 2 323.393 1.756 20 5 DDBDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492333161 420525790 /nfs/dbraw/zinc/52/57/90/420525790.db2.gz JLADDRKQGUAXLF-MRVPVSSYSA-N 1 2 319.770 1.111 20 5 DDBDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492333161 420525795 /nfs/dbraw/zinc/52/57/95/420525795.db2.gz JLADDRKQGUAXLF-MRVPVSSYSA-N 1 2 319.770 1.111 20 5 DDBDLO C[N@H+](CCCCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000457169783 420627790 /nfs/dbraw/zinc/62/77/90/420627790.db2.gz PCPGOFAOYXVRHO-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO C[N@@H+](CCCCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000457169783 420627793 /nfs/dbraw/zinc/62/77/93/420627793.db2.gz PCPGOFAOYXVRHO-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000452577974 420630298 /nfs/dbraw/zinc/63/02/98/420630298.db2.gz JGURHPREYOAENY-NSHDSACASA-N 1 2 319.361 1.857 20 5 DDBDLO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000452577974 420630304 /nfs/dbraw/zinc/63/03/04/420630304.db2.gz JGURHPREYOAENY-NSHDSACASA-N 1 2 319.361 1.857 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1(C)C 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C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182081448 289376278 /nfs/dbraw/zinc/37/62/78/289376278.db2.gz FJGZWUZWQQWBJN-MNOVXSKESA-N 1 2 307.350 1.903 20 5 DDBDLO COc1cccc2c1CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000332052635 295335979 /nfs/dbraw/zinc/33/59/79/295335979.db2.gz ZXBUPRIQKROISP-UHFFFAOYSA-N 1 2 302.334 1.895 20 5 DDBDLO COc1cccc2c1CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000332052635 295335982 /nfs/dbraw/zinc/33/59/82/295335982.db2.gz ZXBUPRIQKROISP-UHFFFAOYSA-N 1 2 302.334 1.895 20 5 DDBDLO Nc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000283493961 295353659 /nfs/dbraw/zinc/35/36/59/295353659.db2.gz IDDVVXIMTKMSAC-UHFFFAOYSA-N 1 2 313.361 1.894 20 5 DDBDLO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000288386885 297262431 /nfs/dbraw/zinc/26/24/31/297262431.db2.gz MBQXFKDCUWFYCD-VXGBXAGGSA-N 1 2 319.361 1.999 20 5 DDBDLO O=C1[C@@H]([N@@H+]2CCCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363187214 300228716 /nfs/dbraw/zinc/22/87/16/300228716.db2.gz HYIBCUMULITJFJ-AWEZNQCLSA-N 1 2 305.334 1.422 20 5 DDBDLO O=C1[C@@H]([N@H+]2CCCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363187214 300228719 /nfs/dbraw/zinc/22/87/19/300228719.db2.gz HYIBCUMULITJFJ-AWEZNQCLSA-N 1 2 305.334 1.422 20 5 DDBDLO NC(=O)[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000574771588 304683414 /nfs/dbraw/zinc/68/34/14/304683414.db2.gz VAHKFEHNJZWFJU-DOMZBBRYSA-N 1 2 312.329 1.793 20 5 DDBDLO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000355540976 306808307 /nfs/dbraw/zinc/80/83/07/306808307.db2.gz AAHJCNBXOYMXRR-LLVKDONJSA-N 1 2 319.317 1.926 20 5 DDBDLO O=C(CC[N@@H+]1CCO[C@H]2C[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000377404912 302177124 /nfs/dbraw/zinc/17/71/24/302177124.db2.gz WWKAIQICUKGANL-OLZOCXBDSA-N 1 2 309.297 1.536 20 5 DDBDLO O=C(CC[N@H+]1CCO[C@H]2C[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000377404912 302177128 /nfs/dbraw/zinc/17/71/28/302177128.db2.gz WWKAIQICUKGANL-OLZOCXBDSA-N 1 2 309.297 1.536 20 5 DDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000378309416 302310459 /nfs/dbraw/zinc/31/04/59/302310459.db2.gz NMPNACBVFKBMSX-SECBINFHSA-N 1 2 304.281 1.744 20 5 DDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000378309416 302310461 /nfs/dbraw/zinc/31/04/61/302310461.db2.gz NMPNACBVFKBMSX-SECBINFHSA-N 1 2 304.281 1.744 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000542610144 303442689 /nfs/dbraw/zinc/44/26/89/303442689.db2.gz CDMAOTSOJLPUIX-BXKDBHETSA-N 1 2 322.321 1.377 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCCOC2)O1 ZINC000369720746 307127439 /nfs/dbraw/zinc/12/74/39/307127439.db2.gz JVGHNIBIROQLLL-DOMZBBRYSA-N 1 2 324.381 1.488 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCCOC2)O1 ZINC000369720746 307127440 /nfs/dbraw/zinc/12/74/40/307127440.db2.gz JVGHNIBIROQLLL-DOMZBBRYSA-N 1 2 324.381 1.488 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496886179 307366822 /nfs/dbraw/zinc/36/68/22/307366822.db2.gz ALVRSKWWXOAVMB-UHFFFAOYSA-N 1 2 317.305 1.911 20 5 DDBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000554850259 307839794 /nfs/dbraw/zinc/83/97/94/307839794.db2.gz KPHIBQFNWOWGLR-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582355295 326017189 /nfs/dbraw/zinc/01/71/89/326017189.db2.gz FTTHJJAIWXMRMU-GFCCVEGCSA-N 1 2 306.322 1.156 20 5 DDBDLO O=c1[nH]nc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000439020290 501083255 /nfs/dbraw/zinc/08/32/55/501083255.db2.gz NVMGMOAFNRUELY-UHFFFAOYSA-N 1 2 321.312 1.937 20 5 DDBDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000331797704 534815616 /nfs/dbraw/zinc/81/56/16/534815616.db2.gz WMTGBQOYEWIQFL-TVQRCGJNSA-N 1 2 319.321 1.307 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)c(-c2nn[nH]n2)c1 ZINC000823639928 607017322 /nfs/dbraw/zinc/01/73/22/607017322.db2.gz MEEIZAAGKIYHCN-UHFFFAOYSA-N 1 2 312.293 1.033 20 5 DDBDLO O=C1N=NCN1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000798193371 700048559 /nfs/dbraw/zinc/04/85/59/700048559.db2.gz JTOFXONIHXCFEZ-UHFFFAOYSA-N 1 2 321.312 1.868 20 5 DDBDLO C[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C ZINC000174954976 697393475 /nfs/dbraw/zinc/39/34/75/697393475.db2.gz RGKDORGRNOENIH-NXEZZACHSA-N 1 2 303.318 1.879 20 5 DDBDLO C[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C ZINC000174954976 697393478 /nfs/dbraw/zinc/39/34/78/697393478.db2.gz RGKDORGRNOENIH-NXEZZACHSA-N 1 2 303.318 1.879 20 5 DDBDLO O=C1OCC[C@@]12CCC[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778249570 698253264 /nfs/dbraw/zinc/25/32/64/698253264.db2.gz RLIQQHZAQLMDSO-HIFRSBDPSA-N 1 2 306.318 1.410 20 5 DDBDLO O=C1OCC[C@@]12CCC[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778249570 698253266 /nfs/dbraw/zinc/25/32/66/698253266.db2.gz RLIQQHZAQLMDSO-HIFRSBDPSA-N 1 2 306.318 1.410 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782569885 698739609 /nfs/dbraw/zinc/73/96/09/698739609.db2.gz DMRAANDQJHYQRY-HUUCEWRRSA-N 1 2 321.377 1.475 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782569885 698739611 /nfs/dbraw/zinc/73/96/11/698739611.db2.gz DMRAANDQJHYQRY-HUUCEWRRSA-N 1 2 321.377 1.475 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCCn1cc[nH+]c1 ZINC000783208388 698819936 /nfs/dbraw/zinc/81/99/36/698819936.db2.gz AHUAYYIFRNUESH-UHFFFAOYSA-N 1 2 307.310 1.320 20 5 DDBDLO CC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000785675171 699091300 /nfs/dbraw/zinc/09/13/00/699091300.db2.gz CZBCZPOHHIUIEE-LBPRGKRZSA-N 1 2 318.289 1.201 20 5 DDBDLO CCOC[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637884 699820516 /nfs/dbraw/zinc/82/05/16/699820516.db2.gz ZGKVARIMXYDACI-NSHDSACASA-N 1 2 321.333 1.819 20 5 DDBDLO CCOC[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637884 699820519 /nfs/dbraw/zinc/82/05/19/699820519.db2.gz ZGKVARIMXYDACI-NSHDSACASA-N 1 2 321.333 1.819 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767033395 701079412 /nfs/dbraw/zinc/07/94/12/701079412.db2.gz VDDMDXRPTAXXEW-GLQYFDAESA-N 1 2 310.350 1.100 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767033395 701079415 /nfs/dbraw/zinc/07/94/15/701079415.db2.gz VDDMDXRPTAXXEW-GLQYFDAESA-N 1 2 310.350 1.100 20 5 DDBDLO Cn1c[nH+]cc1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000811846586 702072257 /nfs/dbraw/zinc/07/22/57/702072257.db2.gz VGSAFRDRHPPGIT-UHFFFAOYSA-N 1 2 316.321 1.131 20 5 DDBDLO CC[N@H+](CCSC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000842643167 702748842 /nfs/dbraw/zinc/74/88/42/702748842.db2.gz ALBPQXUPIBYGDB-UHFFFAOYSA-N 1 2 323.374 1.833 20 5 DDBDLO CC[N@@H+](CCSC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000842643167 702748843 /nfs/dbraw/zinc/74/88/43/702748843.db2.gz ALBPQXUPIBYGDB-UHFFFAOYSA-N 1 2 323.374 1.833 20 5 DDBDLO CC1(C)C[C@H](O)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879620623 706741188 /nfs/dbraw/zinc/74/11/88/706741188.db2.gz PEOBTINYQWAWNC-NSHDSACASA-N 1 2 307.350 1.626 20 5 DDBDLO CC1(C)C[C@H](O)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879620623 706741189 /nfs/dbraw/zinc/74/11/89/706741189.db2.gz PEOBTINYQWAWNC-NSHDSACASA-N 1 2 307.350 1.626 20 5 DDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821385175 704401268 /nfs/dbraw/zinc/40/12/68/704401268.db2.gz HLYYNYQFIPEDSA-BYCMXARLSA-N 1 2 312.329 1.636 20 5 DDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCCn1cc[nH+]c1 ZINC000835350144 707229722 /nfs/dbraw/zinc/22/97/22/707229722.db2.gz NHFJPXPRJZFFES-UHFFFAOYSA-N 1 2 317.301 1.998 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000877788627 706213196 /nfs/dbraw/zinc/21/31/96/706213196.db2.gz WWDQHRKQWHPGNK-CHWSQXEVSA-N 1 2 310.375 1.461 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000877788627 706213198 /nfs/dbraw/zinc/21/31/98/706213198.db2.gz WWDQHRKQWHPGNK-CHWSQXEVSA-N 1 2 310.375 1.461 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832543994 706936044 /nfs/dbraw/zinc/93/60/44/706936044.db2.gz KFOKRNBQXPBRHD-ZDUSSCGKSA-N 1 2 324.356 1.970 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832543994 706936046 /nfs/dbraw/zinc/93/60/46/706936046.db2.gz KFOKRNBQXPBRHD-ZDUSSCGKSA-N 1 2 324.356 1.970 20 5 DDBDLO COc1c(O)ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000894707631 711243868 /nfs/dbraw/zinc/24/38/68/711243868.db2.gz MBZNYNCMTVIZRX-CYBMUJFWSA-N 1 2 318.276 1.511 20 5 DDBDLO COc1c(O)ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000894707631 711243871 /nfs/dbraw/zinc/24/38/71/711243871.db2.gz MBZNYNCMTVIZRX-CYBMUJFWSA-N 1 2 318.276 1.511 20 5 DDBDLO CCc1nn(C)c(N[C@@H](CC)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000895802918 711610444 /nfs/dbraw/zinc/61/04/44/711610444.db2.gz YYHVWXKEQOXTLI-NSHDSACASA-N 1 2 311.386 1.413 20 5 DDBDLO O=[N+]([O-])CCN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000929160122 713559023 /nfs/dbraw/zinc/55/90/23/713559023.db2.gz ZQPJYAYXRMOMEG-UHFFFAOYSA-N 1 2 313.785 1.613 20 5 DDBDLO COC(=O)Cc1ccc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167616741 734834218 /nfs/dbraw/zinc/83/42/18/734834218.db2.gz OWGZLANOPWMYMF-UHFFFAOYSA-N 1 2 316.317 1.900 20 5 DDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C(F)F ZINC001025643376 736807167 /nfs/dbraw/zinc/80/71/67/736807167.db2.gz LMGVSHNOCKCULY-MBTKJCJQSA-N 1 2 317.317 1.468 20 5 DDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C(F)F ZINC001025643376 736807168 /nfs/dbraw/zinc/80/71/68/736807168.db2.gz LMGVSHNOCKCULY-MBTKJCJQSA-N 1 2 317.317 1.468 20 5 DDBDLO CCCc1ccc(C[NH+]2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001030292768 744026120 /nfs/dbraw/zinc/02/61/20/744026120.db2.gz UYFDUQKYQUVRRU-HZPDHXFCSA-N 1 2 317.389 1.605 20 5 DDBDLO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC001106789580 746086774 /nfs/dbraw/zinc/08/67/74/746086774.db2.gz VEPARTATVQDWBG-UHFFFAOYSA-N 1 2 317.349 1.752 20 5 DDBDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996106 762168883 /nfs/dbraw/zinc/16/88/83/762168883.db2.gz VGVNCIYQAIOXES-AEGPPILISA-N 1 2 324.352 1.945 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[NH2+]1 ZINC001169130116 762247024 /nfs/dbraw/zinc/24/70/24/762247024.db2.gz NNHMIIWIRQXFSK-PWSUYJOCSA-N 1 2 320.349 1.184 20 5 DDBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccns2)CC1 ZINC001045437670 766306371 /nfs/dbraw/zinc/30/63/71/766306371.db2.gz YDVOYDCRRXOLRR-VXGBXAGGSA-N 1 2 324.406 1.279 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001094224760 775594473 /nfs/dbraw/zinc/59/44/73/775594473.db2.gz ALDGFVVMWISGMG-UHFFFAOYSA-N 1 2 318.337 1.182 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001094224760 775594478 /nfs/dbraw/zinc/59/44/78/775594478.db2.gz ALDGFVVMWISGMG-UHFFFAOYSA-N 1 2 318.337 1.182 20 5 DDBDLO Cc1cc(NCCN(C)C(=O)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC001101728549 777444232 /nfs/dbraw/zinc/44/42/32/777444232.db2.gz AOSMPWBTEWBRHA-UHFFFAOYSA-N 1 2 317.349 1.739 20 5 DDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001119387887 781430687 /nfs/dbraw/zinc/43/06/87/781430687.db2.gz ZXNBHLYSJRPQPN-OKILXGFUSA-N 1 2 317.345 1.422 20 5 DDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001119387887 781430693 /nfs/dbraw/zinc/43/06/93/781430693.db2.gz ZXNBHLYSJRPQPN-OKILXGFUSA-N 1 2 317.345 1.422 20 5 DDBDLO O=C(Cc1c[nH+]c[nH]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138249114 860045685 /nfs/dbraw/zinc/04/56/85/860045685.db2.gz ZDOVGNZGGKLVFR-UHFFFAOYSA-N 1 2 302.290 1.150 20 5 DDBDLO O=[N+]([O-])c1cnc(Cl)nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319038 866524052 /nfs/dbraw/zinc/52/40/52/866524052.db2.gz HPNIUFKKKWMHRY-UHFFFAOYSA-N 1 2 306.713 1.734 20 5 DDBDLO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001324470604 867296762 /nfs/dbraw/zinc/29/67/62/867296762.db2.gz CYMJJWPCBCTLFP-SMDDNHRTSA-N 1 2 318.333 1.277 20 5 DDBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001162849891 867870220 /nfs/dbraw/zinc/87/02/20/867870220.db2.gz RSRMLKYHCNPDRX-QMMMGPOBSA-N 1 2 316.745 1.724 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C[NH2+]1 ZINC001164304735 869108052 /nfs/dbraw/zinc/10/80/52/869108052.db2.gz DILGVIKNCPWVBO-QWRGUYRKSA-N 1 2 304.306 1.392 20 5 DDBDLO O=C(NC1C[NH+](CC/C=C/c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001318019902 871691431 /nfs/dbraw/zinc/69/14/31/871691431.db2.gz GTXNFBLIJADOAC-DUIXZTDISA-N 1 2 315.373 1.556 20 5 DDBDLO CSc1nc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625173 883109832 /nfs/dbraw/zinc/10/98/32/883109832.db2.gz RKXIPKMHKAEFNZ-QMMMGPOBSA-N 1 2 312.351 1.285 20 5 DDBDLO CCOC(=O)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001230916607 885044156 /nfs/dbraw/zinc/04/41/56/885044156.db2.gz COMNXXWZZOJGFA-LBPRGKRZSA-N 1 2 324.333 1.481 20 5 DDBDLO CCOC(=O)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001230916607 885044166 /nfs/dbraw/zinc/04/41/66/885044166.db2.gz COMNXXWZZOJGFA-LBPRGKRZSA-N 1 2 324.333 1.481 20 5 DDBDLO COC(=O)[C@@H]1CC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474922 896456977 /nfs/dbraw/zinc/45/69/77/896456977.db2.gz WPESJVBIJITZJT-HNNXBMFYSA-N 1 2 319.361 1.811 20 5 DDBDLO COC(=O)[C@@H]1CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474922 896456982 /nfs/dbraw/zinc/45/69/82/896456982.db2.gz WPESJVBIJITZJT-HNNXBMFYSA-N 1 2 319.361 1.811 20 5 DDBDLO CCc1nnc2n1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607255 896531557 /nfs/dbraw/zinc/53/15/57/896531557.db2.gz KDDCNIRXLCORQH-AWEZNQCLSA-N 1 2 313.361 1.732 20 5 DDBDLO CCc1nnc2n1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607255 896531568 /nfs/dbraw/zinc/53/15/68/896531568.db2.gz KDDCNIRXLCORQH-AWEZNQCLSA-N 1 2 313.361 1.732 20 5 DDBDLO O=C(NCCCCn1cc[nH+]c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292966952 914125619 /nfs/dbraw/zinc/12/56/19/914125619.db2.gz UHXYBGNVTFPRKW-CQSZACIVSA-N 1 2 318.333 1.421 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000451234992 231041908 /nfs/dbraw/zinc/04/19/08/231041908.db2.gz NCMDKBDPMMAXSD-NSHDSACASA-N 1 2 320.267 1.807 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000451234992 231041911 /nfs/dbraw/zinc/04/19/11/231041911.db2.gz NCMDKBDPMMAXSD-NSHDSACASA-N 1 2 320.267 1.807 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000452568418 529578920 /nfs/dbraw/zinc/57/89/20/529578920.db2.gz AQAJYXBRMNXIJD-UHFFFAOYSA-N 1 2 304.306 1.750 20 5 DDBDLO Cc1cccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000279321794 214792081 /nfs/dbraw/zinc/79/20/81/214792081.db2.gz ONZCRQWZWFDPOI-CYBMUJFWSA-N 1 2 321.377 1.696 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279694380 215067980 /nfs/dbraw/zinc/06/79/80/215067980.db2.gz GJPZSPQPHMAANK-GXFFZTMASA-N 1 2 307.350 1.625 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279694380 215067983 /nfs/dbraw/zinc/06/79/83/215067983.db2.gz GJPZSPQPHMAANK-GXFFZTMASA-N 1 2 307.350 1.625 20 5 DDBDLO CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000045796883 352424126 /nfs/dbraw/zinc/42/41/26/352424126.db2.gz XPTDIBRCQSBINQ-UHFFFAOYSA-N 1 2 313.379 1.229 20 5 DDBDLO CCNC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051203086 352581419 /nfs/dbraw/zinc/58/14/19/352581419.db2.gz RLGLIXJDJINEMM-UHFFFAOYSA-N 1 2 320.393 1.157 20 5 DDBDLO CCOc1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000060500204 352873943 /nfs/dbraw/zinc/87/39/43/352873943.db2.gz AHBGNNYJRRCYLF-UHFFFAOYSA-N 1 2 304.306 1.620 20 5 DDBDLO CC(C)N1CC[C@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088606808 353757334 /nfs/dbraw/zinc/75/73/34/353757334.db2.gz FGTUKXWNYSMXCK-HNNXBMFYSA-N 1 2 303.362 1.962 20 5 DDBDLO CC(C)N1CC[C@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088606808 353757337 /nfs/dbraw/zinc/75/73/37/353757337.db2.gz FGTUKXWNYSMXCK-HNNXBMFYSA-N 1 2 303.362 1.962 20 5 DDBDLO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092659926 353865771 /nfs/dbraw/zinc/86/57/71/353865771.db2.gz YPOPGVRUYUZNCI-NSHDSACASA-N 1 2 307.350 1.778 20 5 DDBDLO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092659926 353865774 /nfs/dbraw/zinc/86/57/74/353865774.db2.gz YPOPGVRUYUZNCI-NSHDSACASA-N 1 2 307.350 1.778 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590599453 355126046 /nfs/dbraw/zinc/12/60/46/355126046.db2.gz HMFCMTPEWWTDBU-JTQLQIEISA-N 1 2 315.333 1.703 20 5 DDBDLO COC(=O)Cc1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000590689985 355148462 /nfs/dbraw/zinc/14/84/62/355148462.db2.gz KIQWMIOXGOJEFF-UHFFFAOYSA-N 1 2 319.317 1.421 20 5 DDBDLO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000592488622 355596918 /nfs/dbraw/zinc/59/69/18/355596918.db2.gz WDOYJSXFMQOOGA-GFCCVEGCSA-N 1 2 301.293 1.513 20 5 DDBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592830166 355705727 /nfs/dbraw/zinc/70/57/27/355705727.db2.gz CRMZEGHEZVEMRW-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830166 355705733 /nfs/dbraw/zinc/70/57/33/355705733.db2.gz CRMZEGHEZVEMRW-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO CN(CC[NH+]1CCCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593883443 356040199 /nfs/dbraw/zinc/04/01/99/356040199.db2.gz NWMLATUNOLAXRE-UHFFFAOYSA-N 1 2 307.350 1.858 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1-n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000594654652 356276985 /nfs/dbraw/zinc/27/69/85/356276985.db2.gz ZWYBINSADLXUJP-JTQLQIEISA-N 1 2 309.713 1.490 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000595313658 356445850 /nfs/dbraw/zinc/44/58/50/356445850.db2.gz WHMBAZKVULQEJW-XVKPBYJWSA-N 1 2 309.244 1.779 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000595313658 356445851 /nfs/dbraw/zinc/44/58/51/356445851.db2.gz WHMBAZKVULQEJW-XVKPBYJWSA-N 1 2 309.244 1.779 20 5 DDBDLO C[C@@H](c1nncn1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000347161636 283194595 /nfs/dbraw/zinc/19/45/95/283194595.db2.gz ROYMLXJIKMQRJI-JTQLQIEISA-N 1 2 305.342 1.318 20 5 DDBDLO COc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000596103292 356773092 /nfs/dbraw/zinc/77/30/92/356773092.db2.gz CZSRNBNOFLGYDA-CYBMUJFWSA-N 1 2 322.409 1.960 20 5 DDBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596167080 356799694 /nfs/dbraw/zinc/79/96/94/356799694.db2.gz DUTUCQJOGOKJIX-JTQLQIEISA-N 1 2 312.757 1.554 20 5 DDBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597858788 357361385 /nfs/dbraw/zinc/36/13/85/357361385.db2.gz PABMNAKWDROZKN-NSHDSACASA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597858788 357361389 /nfs/dbraw/zinc/36/13/89/357361389.db2.gz PABMNAKWDROZKN-NSHDSACASA-N 1 2 307.350 1.903 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597998759 357414630 /nfs/dbraw/zinc/41/46/30/357414630.db2.gz QMJXMWMNAGHPMY-NWDGAFQWSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597998759 357414633 /nfs/dbraw/zinc/41/46/33/357414633.db2.gz QMJXMWMNAGHPMY-NWDGAFQWSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598001303 357418185 /nfs/dbraw/zinc/41/81/85/357418185.db2.gz YYKQCVGTFUUOSB-CHWSQXEVSA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598001303 357418189 /nfs/dbraw/zinc/41/81/89/357418189.db2.gz YYKQCVGTFUUOSB-CHWSQXEVSA-N 1 2 321.377 1.363 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598651734 357671287 /nfs/dbraw/zinc/67/12/87/357671287.db2.gz VIQJFMACWZHZMK-WCQYABFASA-N 1 2 321.377 1.792 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598651734 357671291 /nfs/dbraw/zinc/67/12/91/357671291.db2.gz VIQJFMACWZHZMK-WCQYABFASA-N 1 2 321.377 1.792 20 5 DDBDLO COc1c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000598946506 357769759 /nfs/dbraw/zinc/76/97/59/357769759.db2.gz HWRVGRWTKWNONX-SECBINFHSA-N 1 2 302.290 1.155 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599034529 357799219 /nfs/dbraw/zinc/79/92/19/357799219.db2.gz FIKVARIPYSBRGW-GFCCVEGCSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCO[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599034529 357799222 /nfs/dbraw/zinc/79/92/22/357799222.db2.gz FIKVARIPYSBRGW-GFCCVEGCSA-N 1 2 302.334 1.886 20 5 DDBDLO O=C1C[C@@]2(CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)CN1 ZINC000599076700 357808183 /nfs/dbraw/zinc/80/81/83/357808183.db2.gz FBORNQJACQRWDF-INIZCTEOSA-N 1 2 312.329 1.859 20 5 DDBDLO COc1ccc(NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000599771422 358054423 /nfs/dbraw/zinc/05/44/23/358054423.db2.gz WWOVLHCJKBJEEG-NSHDSACASA-N 1 2 324.337 1.056 20 5 DDBDLO COc1ccc(NC(=O)NC[C@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000599771422 358054426 /nfs/dbraw/zinc/05/44/26/358054426.db2.gz WWOVLHCJKBJEEG-NSHDSACASA-N 1 2 324.337 1.056 20 5 DDBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c[nH]nn1 ZINC000600176528 358147290 /nfs/dbraw/zinc/14/72/90/358147290.db2.gz IVXOAGDLPYJVDX-SECBINFHSA-N 1 2 304.310 1.220 20 5 DDBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn[nH]n1 ZINC000600176528 358147292 /nfs/dbraw/zinc/14/72/92/358147292.db2.gz IVXOAGDLPYJVDX-SECBINFHSA-N 1 2 304.310 1.220 20 5 DDBDLO CC(C)c1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600420875 358215958 /nfs/dbraw/zinc/21/59/58/358215958.db2.gz LPXSEZLZMGSRFX-ZDUSSCGKSA-N 1 2 321.377 1.779 20 5 DDBDLO CC(C)c1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600420875 358215960 /nfs/dbraw/zinc/21/59/60/358215960.db2.gz LPXSEZLZMGSRFX-ZDUSSCGKSA-N 1 2 321.377 1.779 20 5 DDBDLO CCOc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600426746 358217094 /nfs/dbraw/zinc/21/70/94/358217094.db2.gz SVMYSGSNBBBQID-GFCCVEGCSA-N 1 2 323.349 1.054 20 5 DDBDLO CCOc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600426746 358217097 /nfs/dbraw/zinc/21/70/97/358217097.db2.gz SVMYSGSNBBBQID-GFCCVEGCSA-N 1 2 323.349 1.054 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000348097541 283367279 /nfs/dbraw/zinc/36/72/79/283367279.db2.gz WCMCSIJVBGQABH-SECBINFHSA-N 1 2 319.321 1.966 20 5 DDBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000602645779 359096409 /nfs/dbraw/zinc/09/64/09/359096409.db2.gz ZVMIOFDGQIZROB-UHIISALHSA-N 1 2 310.354 1.097 20 5 DDBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000602645779 359096412 /nfs/dbraw/zinc/09/64/12/359096412.db2.gz ZVMIOFDGQIZROB-UHIISALHSA-N 1 2 310.354 1.097 20 5 DDBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000604481434 359754835 /nfs/dbraw/zinc/75/48/35/359754835.db2.gz SUQZSXCWLDPNDF-UHFFFAOYSA-N 1 2 300.318 1.669 20 5 DDBDLO Cc1nn(C)c(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000609623076 360337069 /nfs/dbraw/zinc/33/70/69/360337069.db2.gz JLWKSLPWNYUKOB-UHFFFAOYSA-N 1 2 300.278 1.537 20 5 DDBDLO CCc1[nH]nc(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000610016096 360373122 /nfs/dbraw/zinc/37/31/22/360373122.db2.gz NLKVELCXFLQNPV-UHFFFAOYSA-N 1 2 300.278 1.780 20 5 DDBDLO Cc1ccnc(NC(=O)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000610485172 360447956 /nfs/dbraw/zinc/44/79/56/360447956.db2.gz OWLGBZYIMVIQPJ-UHFFFAOYSA-N 1 2 318.337 1.065 20 5 DDBDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000610485172 360447961 /nfs/dbraw/zinc/44/79/61/360447961.db2.gz OWLGBZYIMVIQPJ-UHFFFAOYSA-N 1 2 318.337 1.065 20 5 DDBDLO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000619567076 364064099 /nfs/dbraw/zinc/06/40/99/364064099.db2.gz MTJNBCORYWQGJX-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000619567076 364064102 /nfs/dbraw/zinc/06/41/02/364064102.db2.gz MTJNBCORYWQGJX-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000351025831 284294881 /nfs/dbraw/zinc/29/48/81/284294881.db2.gz MFUHNYVXMOAXAH-BXKDBHETSA-N 1 2 319.321 1.899 20 5 DDBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000351025831 284294883 /nfs/dbraw/zinc/29/48/83/284294883.db2.gz MFUHNYVXMOAXAH-BXKDBHETSA-N 1 2 319.321 1.899 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C=O)CC1 ZINC000273017316 210396940 /nfs/dbraw/zinc/39/69/40/210396940.db2.gz WLZCSHSIUFFIMQ-LBPRGKRZSA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C=O)CC1 ZINC000273017316 210396942 /nfs/dbraw/zinc/39/69/42/210396942.db2.gz WLZCSHSIUFFIMQ-LBPRGKRZSA-N 1 2 320.349 1.086 20 5 DDBDLO NS(=O)(=O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413134593 224141801 /nfs/dbraw/zinc/14/18/01/224141801.db2.gz IOECNPZJLMPHKI-LLVKDONJSA-N 1 2 322.346 1.010 20 5 DDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1 ZINC000301757203 285153227 /nfs/dbraw/zinc/15/32/27/285153227.db2.gz DWLZZQGVXRNNHX-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000157122588 197163661 /nfs/dbraw/zinc/16/36/61/197163661.db2.gz KSDMDVAPULTUEO-GXTWGEPZSA-N 1 2 310.350 1.445 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000157122588 197163663 /nfs/dbraw/zinc/16/36/63/197163663.db2.gz KSDMDVAPULTUEO-GXTWGEPZSA-N 1 2 310.350 1.445 20 5 DDBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](CO)O1 ZINC000413255242 224163030 /nfs/dbraw/zinc/16/30/30/224163030.db2.gz HBENVBFETSKXHT-MFKMUULPSA-N 1 2 303.318 1.729 20 5 DDBDLO O=C1CC[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN12 ZINC000352886463 285361700 /nfs/dbraw/zinc/36/17/00/285361700.db2.gz HKVIXDVROXJUBW-LYKUJDHUSA-N 1 2 301.346 1.915 20 5 DDBDLO O=C1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN12 ZINC000352886463 285361705 /nfs/dbraw/zinc/36/17/05/285361705.db2.gz HKVIXDVROXJUBW-LYKUJDHUSA-N 1 2 301.346 1.915 20 5 DDBDLO COc1cccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000444032640 533413937 /nfs/dbraw/zinc/41/39/37/533413937.db2.gz DDXKPYCITCANSA-JTQLQIEISA-N 1 2 304.306 1.618 20 5 DDBDLO C[C@H](CC(N)=O)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353391882 285703183 /nfs/dbraw/zinc/70/31/83/285703183.db2.gz FGRNNOFJFLLOFM-YGRLFVJLSA-N 1 2 317.349 1.271 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000569278094 304345311 /nfs/dbraw/zinc/34/53/11/304345311.db2.gz VQEXSFDWVOELLE-UHFFFAOYSA-N 1 2 300.318 1.456 20 5 DDBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069865255 406781771 /nfs/dbraw/zinc/78/17/71/406781771.db2.gz SFPNWWSTOVRICF-LLVKDONJSA-N 1 2 316.379 1.339 20 5 DDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069865255 406781775 /nfs/dbraw/zinc/78/17/75/406781775.db2.gz SFPNWWSTOVRICF-LLVKDONJSA-N 1 2 316.379 1.339 20 5 DDBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000125526641 407391366 /nfs/dbraw/zinc/39/13/66/407391366.db2.gz CVCNYJMAMSZHAC-LBPRGKRZSA-N 1 2 314.363 1.093 20 5 DDBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000125526641 407391367 /nfs/dbraw/zinc/39/13/67/407391367.db2.gz CVCNYJMAMSZHAC-LBPRGKRZSA-N 1 2 314.363 1.093 20 5 DDBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)S1 ZINC000266740414 407615902 /nfs/dbraw/zinc/61/59/02/407615902.db2.gz WDQRRQAJOLXSNP-SECBINFHSA-N 1 2 323.378 1.172 20 5 DDBDLO CCN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186521829 407690022 /nfs/dbraw/zinc/69/00/22/407690022.db2.gz SFOCVIKDCNMQGY-UHFFFAOYSA-N 1 2 321.377 1.916 20 5 DDBDLO CCN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186521829 407690028 /nfs/dbraw/zinc/69/00/28/407690028.db2.gz SFOCVIKDCNMQGY-UHFFFAOYSA-N 1 2 321.377 1.916 20 5 DDBDLO Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC000152874605 407707796 /nfs/dbraw/zinc/70/77/96/407707796.db2.gz PGUJWVDYVWMDTK-OLZOCXBDSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000152874605 407707804 /nfs/dbraw/zinc/70/78/04/407707804.db2.gz PGUJWVDYVWMDTK-OLZOCXBDSA-N 1 2 305.334 1.058 20 5 DDBDLO O=C(CCCC[NH+]1CCOCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000191515676 408437383 /nfs/dbraw/zinc/43/73/83/408437383.db2.gz QPWGRXUOERPVOC-UHFFFAOYSA-N 1 2 323.349 1.741 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270597147 408594006 /nfs/dbraw/zinc/59/40/06/408594006.db2.gz GFASOQMNVRJEFR-LLVKDONJSA-N 1 2 308.338 1.236 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270597147 408594012 /nfs/dbraw/zinc/59/40/12/408594012.db2.gz GFASOQMNVRJEFR-LLVKDONJSA-N 1 2 308.338 1.236 20 5 DDBDLO CC1=CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280873649 408851280 /nfs/dbraw/zinc/85/12/80/408851280.db2.gz OKXZYTGEDVHHJM-UHFFFAOYSA-N 1 2 319.317 1.914 20 5 DDBDLO CC1=CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000280873649 408851282 /nfs/dbraw/zinc/85/12/82/408851282.db2.gz OKXZYTGEDVHHJM-UHFFFAOYSA-N 1 2 319.317 1.914 20 5 DDBDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293977676 409218174 /nfs/dbraw/zinc/21/81/74/409218174.db2.gz BCSMZLBHLKLCEK-JTQLQIEISA-N 1 2 316.365 1.956 20 5 DDBDLO CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000288945477 409199621 /nfs/dbraw/zinc/19/96/21/409199621.db2.gz ONGHELMHLLIOAE-LBPRGKRZSA-N 1 2 324.362 1.994 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284105453 409275241 /nfs/dbraw/zinc/27/52/41/409275241.db2.gz NVLNVJYWSAURGP-KBPBESRZSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284105453 409275245 /nfs/dbraw/zinc/27/52/45/409275245.db2.gz NVLNVJYWSAURGP-KBPBESRZSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284336117 409325566 /nfs/dbraw/zinc/32/55/66/409325566.db2.gz CFYJFQJKSASJBO-CABCVRRESA-N 1 2 319.361 1.069 20 5 DDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284336117 409325569 /nfs/dbraw/zinc/32/55/69/409325569.db2.gz CFYJFQJKSASJBO-CABCVRRESA-N 1 2 319.361 1.069 20 5 DDBDLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000319178646 164035461 /nfs/dbraw/zinc/03/54/61/164035461.db2.gz HOHJUADZSJOXQA-LBPRGKRZSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1ccc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000319178646 164035463 /nfs/dbraw/zinc/03/54/63/164035463.db2.gz HOHJUADZSJOXQA-LBPRGKRZSA-N 1 2 310.350 1.575 20 5 DDBDLO CO[C@@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285578188 409494856 /nfs/dbraw/zinc/49/48/56/409494856.db2.gz IAXKWHKZVZEZOB-NSHDSACASA-N 1 2 316.379 1.335 20 5 DDBDLO CO[C@@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285578188 409494861 /nfs/dbraw/zinc/49/48/61/409494861.db2.gz IAXKWHKZVZEZOB-NSHDSACASA-N 1 2 316.379 1.335 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000356799737 409616474 /nfs/dbraw/zinc/61/64/74/409616474.db2.gz HHECUOWHDNRWKR-UHFFFAOYSA-N 1 2 317.349 1.206 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000356799737 409616484 /nfs/dbraw/zinc/61/64/84/409616484.db2.gz HHECUOWHDNRWKR-UHFFFAOYSA-N 1 2 317.349 1.206 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@H](O)Cn2cc[nH+]c2-c2ccncc2)c1 ZINC000304379743 409618307 /nfs/dbraw/zinc/61/83/07/409618307.db2.gz YEGVSIDIXNFWKP-CYBMUJFWSA-N 1 2 314.305 1.111 20 5 DDBDLO Cc1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000342846730 409945573 /nfs/dbraw/zinc/94/55/73/409945573.db2.gz OBECJWWHAVKGCT-UHFFFAOYSA-N 1 2 304.354 1.670 20 5 DDBDLO Cc1c[nH+]c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000342846730 409945581 /nfs/dbraw/zinc/94/55/81/409945581.db2.gz OBECJWWHAVKGCT-UHFFFAOYSA-N 1 2 304.354 1.670 20 5 DDBDLO CCOc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)ccc1[N+](=O)[O-] ZINC000332263894 410024165 /nfs/dbraw/zinc/02/41/65/410024165.db2.gz UEYYJQOXQKDZDV-ZBFHGGJFSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)ccc1[N+](=O)[O-] ZINC000332263894 410024174 /nfs/dbraw/zinc/02/41/74/410024174.db2.gz UEYYJQOXQKDZDV-ZBFHGGJFSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000332263894 410024180 /nfs/dbraw/zinc/02/41/80/410024180.db2.gz UEYYJQOXQKDZDV-ZBFHGGJFSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000332263894 410024187 /nfs/dbraw/zinc/02/41/87/410024187.db2.gz UEYYJQOXQKDZDV-ZBFHGGJFSA-N 1 2 321.377 1.508 20 5 DDBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000339133852 410061422 /nfs/dbraw/zinc/06/14/22/410061422.db2.gz PKYMFCYSDKHVJM-RISCZKNCSA-N 1 2 310.350 1.926 20 5 DDBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000339133852 410061425 /nfs/dbraw/zinc/06/14/25/410061425.db2.gz PKYMFCYSDKHVJM-RISCZKNCSA-N 1 2 310.350 1.926 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000339953241 410571838 /nfs/dbraw/zinc/57/18/38/410571838.db2.gz XLFPDZRKYIEJPB-NSHDSACASA-N 1 2 322.365 1.087 20 5 DDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Sc1[nH+]cc2ccccn21 ZINC000301060270 410647171 /nfs/dbraw/zinc/64/71/71/410647171.db2.gz ATWMMZCVNMWTKO-UHFFFAOYSA-N 1 2 315.314 1.888 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000347654584 410655652 /nfs/dbraw/zinc/65/56/52/410655652.db2.gz PTNIBAOUABAMTP-IPQOISQHSA-N 1 2 322.390 1.538 20 5 DDBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000347797152 410724757 /nfs/dbraw/zinc/72/47/57/410724757.db2.gz AOVSTUQERAWPKV-LLVKDONJSA-N 1 2 308.338 1.961 20 5 DDBDLO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359590822 410755899 /nfs/dbraw/zinc/75/58/99/410755899.db2.gz UBFIGSHYLOVOPY-FZMZJTMJSA-N 1 2 320.349 1.428 20 5 DDBDLO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359590822 410755905 /nfs/dbraw/zinc/75/59/05/410755905.db2.gz UBFIGSHYLOVOPY-FZMZJTMJSA-N 1 2 320.349 1.428 20 5 DDBDLO COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359590826 410758222 /nfs/dbraw/zinc/75/82/22/410758222.db2.gz UBFIGSHYLOVOPY-SMDDNHRTSA-N 1 2 320.349 1.428 20 5 DDBDLO COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359590826 410758226 /nfs/dbraw/zinc/75/82/26/410758226.db2.gz UBFIGSHYLOVOPY-SMDDNHRTSA-N 1 2 320.349 1.428 20 5 DDBDLO Cc1nc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000302790421 410867500 /nfs/dbraw/zinc/86/75/00/410867500.db2.gz YDQPTXNJLXGBMZ-AWEZNQCLSA-N 1 2 317.349 1.971 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000348312128 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DDBDLO CC(=O)N1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000291001082 222063289 /nfs/dbraw/zinc/06/32/89/222063289.db2.gz SWLSXPAAAHFUPD-UHFFFAOYSA-N 1 2 324.356 1.618 20 5 DDBDLO O=C1OCC[C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000372479660 418875605 /nfs/dbraw/zinc/87/56/05/418875605.db2.gz BKAJCPNAKFWYDQ-RISCZKNCSA-N 1 2 306.318 1.611 20 5 DDBDLO O=C1OCC[C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000372479660 418875606 /nfs/dbraw/zinc/87/56/06/418875606.db2.gz BKAJCPNAKFWYDQ-RISCZKNCSA-N 1 2 306.318 1.611 20 5 DDBDLO CCc1n[nH]c(C(=O)NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000421926849 419775266 /nfs/dbraw/zinc/77/52/66/419775266.db2.gz YNDCFZDSTNOURW-UHFFFAOYSA-N 1 2 303.322 1.822 20 5 DDBDLO C[C@@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000447801294 420802737 /nfs/dbraw/zinc/80/27/37/420802737.db2.gz BQBCTMHSPCFOCG-CHWSQXEVSA-N 1 2 323.393 1.856 20 5 DDBDLO Nc1c(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000449651802 421045929 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VUGAADFGOXGGCM-ZLKJLUDKSA-N 1 2 323.349 1.267 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)nc1 ZINC000545083149 421235771 /nfs/dbraw/zinc/23/57/71/421235771.db2.gz AYVWSNLNUXRWAO-GFCCVEGCSA-N 1 2 317.305 1.576 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)nc1 ZINC000545083149 421235774 /nfs/dbraw/zinc/23/57/74/421235774.db2.gz AYVWSNLNUXRWAO-GFCCVEGCSA-N 1 2 317.305 1.576 20 5 DDBDLO CNc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000560344393 421249740 /nfs/dbraw/zinc/24/97/40/421249740.db2.gz JCHNWLIEMOUZQU-JTQLQIEISA-N 1 2 315.333 1.647 20 5 DDBDLO CNc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000560344393 421249744 /nfs/dbraw/zinc/24/97/44/421249744.db2.gz JCHNWLIEMOUZQU-JTQLQIEISA-N 1 2 315.333 1.647 20 5 DDBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000533492291 421675074 /nfs/dbraw/zinc/67/50/74/421675074.db2.gz ISBUNMAEYQHBCW-LLVKDONJSA-N 1 2 310.379 1.646 20 5 DDBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000533492291 421675077 /nfs/dbraw/zinc/67/50/77/421675077.db2.gz ISBUNMAEYQHBCW-LLVKDONJSA-N 1 2 310.379 1.646 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000341609341 271138844 /nfs/dbraw/zinc/13/88/44/271138844.db2.gz SXEGISOSFGRTFW-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000341609341 271138847 /nfs/dbraw/zinc/13/88/47/271138847.db2.gz SXEGISOSFGRTFW-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO COc1cc[nH+]cc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000343841570 271885688 /nfs/dbraw/zinc/88/56/88/271885688.db2.gz PAQZYGIISHCKGG-UHFFFAOYSA-N 1 2 313.269 1.795 20 5 DDBDLO COc1c(-c2nc(Cc3c[nH+]cn3C)no2)cccc1[N+](=O)[O-] ZINC000346952492 272590019 /nfs/dbraw/zinc/59/00/19/272590019.db2.gz YRVNFXPRBNNKKG-UHFFFAOYSA-N 1 2 315.289 1.978 20 5 DDBDLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000347927814 272784125 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DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000120812451 281126073 /nfs/dbraw/zinc/12/60/73/281126073.db2.gz ABXCJOZIRJIFQU-OLZOCXBDSA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000120812451 281126074 /nfs/dbraw/zinc/12/60/74/281126074.db2.gz ABXCJOZIRJIFQU-OLZOCXBDSA-N 1 2 321.377 1.935 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362341704 300050793 /nfs/dbraw/zinc/05/07/93/300050793.db2.gz IVFPIOZNWPIUJQ-UHFFFAOYSA-N 1 2 310.260 1.465 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000362461076 300069579 /nfs/dbraw/zinc/06/95/79/300069579.db2.gz QVSCUCMKSOBVKZ-AWEZNQCLSA-N 1 2 322.365 1.827 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000362461076 300069582 /nfs/dbraw/zinc/06/95/82/300069582.db2.gz QVSCUCMKSOBVKZ-AWEZNQCLSA-N 1 2 322.365 1.827 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362526854 300086536 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301.306 1.187 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396821771 302349959 /nfs/dbraw/zinc/34/99/59/302349959.db2.gz KODXUOINFMENIQ-NOZJJQNGSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396821771 302349961 /nfs/dbraw/zinc/34/99/61/302349961.db2.gz KODXUOINFMENIQ-NOZJJQNGSA-N 1 2 300.742 1.423 20 5 DDBDLO CN(C)c1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000356459013 306852272 /nfs/dbraw/zinc/85/22/72/306852272.db2.gz QKTCIAGRYURSRM-UHFFFAOYSA-N 1 2 315.333 1.767 20 5 DDBDLO Cc1c(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000532675874 303293099 /nfs/dbraw/zinc/29/30/99/303293099.db2.gz DSZPQBMLMQXVBR-LBPRGKRZSA-N 1 2 321.377 1.283 20 5 DDBDLO Cc1c(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000532675874 303293102 /nfs/dbraw/zinc/29/31/02/303293102.db2.gz DSZPQBMLMQXVBR-LBPRGKRZSA-N 1 2 321.377 1.283 20 5 DDBDLO Cn1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000535072208 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CCS(=O)(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183365638 199581879 /nfs/dbraw/zinc/58/18/79/199581879.db2.gz LFODVDXAXFZQAV-UHFFFAOYSA-N 1 2 300.380 1.770 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279749606 215112990 /nfs/dbraw/zinc/11/29/90/215112990.db2.gz LGFIQCORCDORJB-CYBMUJFWSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279749606 215112994 /nfs/dbraw/zinc/11/29/94/215112994.db2.gz LGFIQCORCDORJB-CYBMUJFWSA-N 1 2 323.349 1.245 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000045951039 352431074 /nfs/dbraw/zinc/43/10/74/352431074.db2.gz RNKZWEJKGLBZSU-LLVKDONJSA-N 1 2 308.338 1.437 20 5 DDBDLO COCCCNC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051649702 352591360 /nfs/dbraw/zinc/59/13/60/352591360.db2.gz CNMLGRLTQAPFET-UHFFFAOYSA-N 1 2 309.366 1.488 20 5 DDBDLO COCCCNC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051649702 352591363 /nfs/dbraw/zinc/59/13/63/352591363.db2.gz CNMLGRLTQAPFET-UHFFFAOYSA-N 1 2 309.366 1.488 20 5 DDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000063911598 352928335 /nfs/dbraw/zinc/92/83/35/352928335.db2.gz OCNHUBZMVZIDEI-UHFFFAOYSA-N 1 2 316.364 1.211 20 5 DDBDLO C[C@@H]1[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000331908284 234263317 /nfs/dbraw/zinc/26/33/17/234263317.db2.gz ALQZSRQGYVHPQL-ZJUUUORDSA-N 1 2 317.349 1.636 20 5 DDBDLO C[C@@H]1[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000331908284 234263320 /nfs/dbraw/zinc/26/33/20/234263320.db2.gz ALQZSRQGYVHPQL-ZJUUUORDSA-N 1 2 317.349 1.636 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)on1 ZINC000078627706 353525890 /nfs/dbraw/zinc/52/58/90/353525890.db2.gz ZGNFRYAMMUSBLB-UHFFFAOYSA-N 1 2 317.349 1.917 20 5 DDBDLO CC(C)N1CC[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088606813 353757321 /nfs/dbraw/zinc/75/73/21/353757321.db2.gz FGTUKXWNYSMXCK-OAHLLOKOSA-N 1 2 303.362 1.962 20 5 DDBDLO CC(C)N1CC[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088606813 353757324 /nfs/dbraw/zinc/75/73/24/353757324.db2.gz FGTUKXWNYSMXCK-OAHLLOKOSA-N 1 2 303.362 1.962 20 5 DDBDLO CN(CC[NH+]1CCOCC1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195261573 354295826 /nfs/dbraw/zinc/29/58/26/354295826.db2.gz BRYBSOMCYKOVHQ-UHFFFAOYSA-N 1 2 306.366 1.331 20 5 DDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000587036250 354878922 /nfs/dbraw/zinc/87/89/22/354878922.db2.gz RMNJOLBWYAUAMG-SNVBAGLBSA-N 1 2 302.290 1.242 20 5 DDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495898 354996199 /nfs/dbraw/zinc/99/61/99/354996199.db2.gz ILWDEOOHBBKFJU-ZDUSSCGKSA-N 1 2 321.333 1.092 20 5 DDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495898 354996201 /nfs/dbraw/zinc/99/62/01/354996201.db2.gz ILWDEOOHBBKFJU-ZDUSSCGKSA-N 1 2 321.333 1.092 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000590053487 355044951 /nfs/dbraw/zinc/04/49/51/355044951.db2.gz ZNEXOCRIBFKYSV-RYWCDNDXSA-N 1 2 324.402 1.975 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000590053487 355044953 /nfs/dbraw/zinc/04/49/53/355044953.db2.gz ZNEXOCRIBFKYSV-RYWCDNDXSA-N 1 2 324.402 1.975 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@H]2C[C@H]21 ZINC000590764930 355172122 /nfs/dbraw/zinc/17/21/22/355172122.db2.gz BUSGPKUPYYLNIA-KGLIPLIRSA-N 1 2 314.301 1.394 20 5 DDBDLO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592486829 355597555 /nfs/dbraw/zinc/59/75/55/355597555.db2.gz MNDYHGMXZPAUPB-QWRGUYRKSA-N 1 2 310.329 1.165 20 5 DDBDLO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000593995888 356082335 /nfs/dbraw/zinc/08/23/35/356082335.db2.gz DAGXSPRORDMQFX-OAHLLOKOSA-N 1 2 305.378 1.891 20 5 DDBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000595329481 356451384 /nfs/dbraw/zinc/45/13/84/356451384.db2.gz GJLDARVLEHSUFE-SNVBAGLBSA-N 1 2 316.354 1.600 20 5 DDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000595329481 356451386 /nfs/dbraw/zinc/45/13/86/356451386.db2.gz GJLDARVLEHSUFE-SNVBAGLBSA-N 1 2 316.354 1.600 20 5 DDBDLO Cc1noc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1[N+](=O)[O-] ZINC000595378614 356471845 /nfs/dbraw/zinc/47/18/45/356471845.db2.gz AJGJFDSQLIALMV-ZDUSSCGKSA-N 1 2 303.318 1.983 20 5 DDBDLO Cc1noc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1[N+](=O)[O-] ZINC000595378614 356471850 /nfs/dbraw/zinc/47/18/50/356471850.db2.gz AJGJFDSQLIALMV-ZDUSSCGKSA-N 1 2 303.318 1.983 20 5 DDBDLO Cn1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1 ZINC000595759129 356641133 /nfs/dbraw/zinc/64/11/33/356641133.db2.gz OQVMHHORGCTATE-UHFFFAOYSA-N 1 2 318.337 1.184 20 5 DDBDLO Cn1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1 ZINC000595759129 356641136 /nfs/dbraw/zinc/64/11/36/356641136.db2.gz OQVMHHORGCTATE-UHFFFAOYSA-N 1 2 318.337 1.184 20 5 DDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595823004 356664558 /nfs/dbraw/zinc/66/45/58/356664558.db2.gz CJMIJDYBCPISBA-CYBMUJFWSA-N 1 2 324.356 1.922 20 5 DDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595823004 356664561 /nfs/dbraw/zinc/66/45/61/356664561.db2.gz CJMIJDYBCPISBA-CYBMUJFWSA-N 1 2 324.356 1.922 20 5 DDBDLO O=C(C[N@@H+]1CCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000618318421 363582820 /nfs/dbraw/zinc/58/28/20/363582820.db2.gz YTPMXGACLNZMME-UHFFFAOYSA-N 1 2 305.334 1.788 20 5 DDBDLO O=C(C[N@H+]1CCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000618318421 363582826 /nfs/dbraw/zinc/58/28/26/363582826.db2.gz YTPMXGACLNZMME-UHFFFAOYSA-N 1 2 305.334 1.788 20 5 DDBDLO Nc1c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000598947230 357771260 /nfs/dbraw/zinc/77/12/60/357771260.db2.gz KRPZPTLFGVIACI-SECBINFHSA-N 1 2 301.306 1.118 20 5 DDBDLO O=C1NC[C@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCN12 ZINC000599062463 357806051 /nfs/dbraw/zinc/80/60/51/357806051.db2.gz QULPQTHPBGZVQK-NSHDSACASA-N 1 2 313.317 1.357 20 5 DDBDLO NC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278234228 283305450 /nfs/dbraw/zinc/30/54/50/283305450.db2.gz NDLAFLAVTLJNIM-UHFFFAOYSA-N 1 2 323.309 1.136 20 5 DDBDLO COC[C@]1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000599693009 358028152 /nfs/dbraw/zinc/02/81/52/358028152.db2.gz NHPRWGINSBCSOW-HNNXBMFYSA-N 1 2 310.350 1.711 20 5 DDBDLO COC[C@]1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000599693009 358028154 /nfs/dbraw/zinc/02/81/54/358028154.db2.gz NHPRWGINSBCSOW-HNNXBMFYSA-N 1 2 310.350 1.711 20 5 DDBDLO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000600314868 358194518 /nfs/dbraw/zinc/19/45/18/358194518.db2.gz QEOGJVGAPFYZJZ-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000600314868 358194522 /nfs/dbraw/zinc/19/45/22/358194522.db2.gz QEOGJVGAPFYZJZ-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO Cn1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])n1 ZINC000602483072 359008916 /nfs/dbraw/zinc/00/89/16/359008916.db2.gz IYNOPABQXUBLIL-GFCCVEGCSA-N 1 2 304.354 1.571 20 5 DDBDLO Cn1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])n1 ZINC000602483072 359008917 /nfs/dbraw/zinc/00/89/17/359008917.db2.gz IYNOPABQXUBLIL-GFCCVEGCSA-N 1 2 304.354 1.571 20 5 DDBDLO Cn1cc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])n1 ZINC000602783336 359189116 /nfs/dbraw/zinc/18/91/16/359189116.db2.gz LIRXCQJRRXFUQV-CQSZACIVSA-N 1 2 323.397 1.015 20 5 DDBDLO Cc1noc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000602988581 359341267 /nfs/dbraw/zinc/34/12/67/359341267.db2.gz OUWXKUOGGCUXCS-JGVFFNPUSA-N 1 2 309.244 1.494 20 5 DDBDLO Cc1noc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000602988581 359341268 /nfs/dbraw/zinc/34/12/68/359341268.db2.gz OUWXKUOGGCUXCS-JGVFFNPUSA-N 1 2 309.244 1.494 20 5 DDBDLO O=[N+]([O-])c1cc(Cn2cc(CC[NH+]3CCOCC3)nn2)cs1 ZINC000603205650 359479704 /nfs/dbraw/zinc/47/97/04/359479704.db2.gz GEQPLDNTJBCSOS-UHFFFAOYSA-N 1 2 323.378 1.171 20 5 DDBDLO COc1cc([N+](=O)[O-])cn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000603363907 359595277 /nfs/dbraw/zinc/59/52/77/359595277.db2.gz YGPLRORXAKDPAJ-UHFFFAOYSA-N 1 2 300.221 1.405 20 5 DDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCOCC(F)F)CC1 ZINC000188707160 200291924 /nfs/dbraw/zinc/29/19/24/200291924.db2.gz SSGUTHPNYKUHHH-UHFFFAOYSA-N 1 2 315.320 1.999 20 5 DDBDLO CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000292426181 223071592 /nfs/dbraw/zinc/07/15/92/223071592.db2.gz CQAMKESWSDXJQT-MNOVXSKESA-N 1 2 318.333 1.934 20 5 DDBDLO Cc1cc[nH+]cc1N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000619589460 364074176 /nfs/dbraw/zinc/07/41/76/364074176.db2.gz VQSYDZRHKJLXMI-UHFFFAOYSA-N 1 2 302.338 1.358 20 5 DDBDLO CC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264752468 204129643 /nfs/dbraw/zinc/12/96/43/204129643.db2.gz MMHLOGBCYNRYFI-CYBMUJFWSA-N 1 2 306.366 1.455 20 5 DDBDLO CC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264752468 204129647 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1.524 20 5 DDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331491918 409568423 /nfs/dbraw/zinc/56/84/23/409568423.db2.gz MYKCTTLSOQDXKM-ZDUSSCGKSA-N 1 2 317.349 1.524 20 5 DDBDLO CC(C)[NH+]1CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000296935727 409712856 /nfs/dbraw/zinc/71/28/56/409712856.db2.gz BJGOAHNWLVLRKH-UHFFFAOYSA-N 1 2 321.333 1.188 20 5 DDBDLO Cc1noc([C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000332080992 409856990 /nfs/dbraw/zinc/85/69/90/409856990.db2.gz KYQMYZHVOOLFJM-SNVBAGLBSA-N 1 2 304.306 1.981 20 5 DDBDLO Cc1noc([C@@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000332080992 409856995 /nfs/dbraw/zinc/85/69/95/409856995.db2.gz KYQMYZHVOOLFJM-SNVBAGLBSA-N 1 2 304.306 1.981 20 5 DDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354616825 409970958 /nfs/dbraw/zinc/97/09/58/409970958.db2.gz BCLHDPSIBCVIIU-GHMZBOCLSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354616825 409970963 /nfs/dbraw/zinc/97/09/63/409970963.db2.gz BCLHDPSIBCVIIU-GHMZBOCLSA-N 1 2 313.379 1.308 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332290761 410046034 /nfs/dbraw/zinc/04/60/34/410046034.db2.gz JJAJNFZDLSHJID-JTQLQIEISA-N 1 2 303.322 1.798 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332290761 410046041 /nfs/dbraw/zinc/04/60/41/410046041.db2.gz JJAJNFZDLSHJID-JTQLQIEISA-N 1 2 303.322 1.798 20 5 DDBDLO Cc1[nH]c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2[nH+]1 ZINC000342922182 410001715 /nfs/dbraw/zinc/00/17/15/410001715.db2.gz VGLLIEXYHIUROF-UHFFFAOYSA-N 1 2 301.266 1.010 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000332369872 410105289 /nfs/dbraw/zinc/10/52/89/410105289.db2.gz WRTFLZNIJALVSM-GFCCVEGCSA-N 1 2 303.322 1.729 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000332369872 410105293 /nfs/dbraw/zinc/10/52/93/410105293.db2.gz WRTFLZNIJALVSM-GFCCVEGCSA-N 1 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ZINC000340221648 410767675 /nfs/dbraw/zinc/76/76/75/410767675.db2.gz HDQGSCWMHURKBD-GWCFXTLKSA-N 1 2 320.349 1.051 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340221648 410767682 /nfs/dbraw/zinc/76/76/82/410767682.db2.gz HDQGSCWMHURKBD-GWCFXTLKSA-N 1 2 320.349 1.051 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337677941 410936254 /nfs/dbraw/zinc/93/62/54/410936254.db2.gz YQYPHZLGDCUSGN-GFCCVEGCSA-N 1 2 301.306 1.105 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000360114956 411053834 /nfs/dbraw/zinc/05/38/34/411053834.db2.gz ZWEQTTSYTJHUAS-LLVKDONJSA-N 1 2 323.349 1.514 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000360114956 411053840 /nfs/dbraw/zinc/05/38/40/411053840.db2.gz ZWEQTTSYTJHUAS-LLVKDONJSA-N 1 2 323.349 1.514 20 5 DDBDLO COCCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130820420 196113656 /nfs/dbraw/zinc/11/36/56/196113656.db2.gz FKSCIVNPFBWGAZ-UHFFFAOYSA-N 1 2 321.377 1.712 20 5 DDBDLO COCCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130820420 196113658 /nfs/dbraw/zinc/11/36/58/196113658.db2.gz FKSCIVNPFBWGAZ-UHFFFAOYSA-N 1 2 321.377 1.712 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000366912537 418535943 /nfs/dbraw/zinc/53/59/43/418535943.db2.gz PGZRAXNJEDNGKW-JHJVBQTASA-N 1 2 309.753 1.478 20 5 DDBDLO Cc1cc(OCC(=O)N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000290906753 222011759 /nfs/dbraw/zinc/01/17/59/222011759.db2.gz IHRNRZLFMVMBDU-UHFFFAOYSA-N 1 2 316.317 1.521 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000367602204 418613709 /nfs/dbraw/zinc/61/37/09/418613709.db2.gz RSRXMMMDNPLQSI-BZUAXINKSA-N 1 2 322.361 1.508 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000367602204 418613713 /nfs/dbraw/zinc/61/37/13/418613713.db2.gz RSRXMMMDNPLQSI-BZUAXINKSA-N 1 2 322.361 1.508 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000372856471 418909062 /nfs/dbraw/zinc/90/90/62/418909062.db2.gz DKVNWOLKGVEXOE-UHFFFAOYSA-N 1 2 316.317 1.764 20 5 DDBDLO NS(=O)(=O)CCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413300316 419780219 /nfs/dbraw/zinc/78/02/19/419780219.db2.gz QCFPYILMAFUGAN-UHFFFAOYSA-N 1 2 324.362 1.624 20 5 DDBDLO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354555904 306779142 /nfs/dbraw/zinc/77/91/42/306779142.db2.gz TZCOPVYLMNXXBX-GHMZBOCLSA-N 1 2 307.350 1.903 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1(C)C ZINC000452839773 420669922 /nfs/dbraw/zinc/66/99/22/420669922.db2.gz FKMHRIRZDGDGHN-NSHDSACASA-N 1 2 303.322 1.880 20 5 DDBDLO Cc1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000453571941 420731743 /nfs/dbraw/zinc/73/17/43/420731743.db2.gz CYPNZUWJWVMCQY-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO Cc1ccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000449647221 421044631 /nfs/dbraw/zinc/04/46/31/421044631.db2.gz DCGQENSXUATXDF-LLVKDONJSA-N 1 2 313.304 1.878 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000449527477 421022133 /nfs/dbraw/zinc/02/21/33/421022133.db2.gz IQTLNQPJWRMAOK-CYBMUJFWSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000449527477 421022136 /nfs/dbraw/zinc/02/21/36/421022136.db2.gz IQTLNQPJWRMAOK-CYBMUJFWSA-N 1 2 312.391 1.994 20 5 DDBDLO C[C@@H](O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450531011 421206718 /nfs/dbraw/zinc/20/67/18/421206718.db2.gz RDKSAYRSOCDAHJ-SNVBAGLBSA-N 1 2 318.333 1.670 20 5 DDBDLO COc1cccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000517491856 421615971 /nfs/dbraw/zinc/61/59/71/421615971.db2.gz JJZALCHSGFJGDJ-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO COc1cccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000517491856 421615972 /nfs/dbraw/zinc/61/59/72/421615972.db2.gz JJZALCHSGFJGDJ-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543546082 421838734 /nfs/dbraw/zinc/83/87/34/421838734.db2.gz VBNJIOITFHJPEJ-SECBINFHSA-N 1 2 319.321 1.600 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341987553 271266345 /nfs/dbraw/zinc/26/63/45/271266345.db2.gz YKOWJRLQDKJNBA-SECBINFHSA-N 1 2 323.378 1.732 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341987553 271266347 /nfs/dbraw/zinc/26/63/47/271266347.db2.gz YKOWJRLQDKJNBA-SECBINFHSA-N 1 2 323.378 1.732 20 5 DDBDLO CCc1n[nH]c(C(=O)NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000345230115 272195539 /nfs/dbraw/zinc/19/55/39/272195539.db2.gz UOJMSFDVHZFYNA-UHFFFAOYSA-N 1 2 314.305 1.458 20 5 DDBDLO COc1cc(CNc2ccc(CO)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000356308176 298758689 /nfs/dbraw/zinc/75/86/89/298758689.db2.gz SJOYPQLUHYITSM-UHFFFAOYSA-N 1 2 305.290 1.808 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366070497 300639090 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Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000043147761 352362933 /nfs/dbraw/zinc/36/29/33/352362933.db2.gz VZCSJWAXGGHUTJ-GFCCVEGCSA-N 1 2 322.365 1.745 20 5 DDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCCn1cc[nH+]c1 ZINC000043311219 352365520 /nfs/dbraw/zinc/36/55/20/352365520.db2.gz HSYQTYUVJLACCZ-UHFFFAOYSA-N 1 2 318.337 1.203 20 5 DDBDLO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043844089 352374710 /nfs/dbraw/zinc/37/47/10/352374710.db2.gz UKXYKRSKFHKZCO-RWMBFGLXSA-N 1 2 321.377 1.822 20 5 DDBDLO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043844089 352374712 /nfs/dbraw/zinc/37/47/12/352374712.db2.gz UKXYKRSKFHKZCO-RWMBFGLXSA-N 1 2 321.377 1.822 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000331771429 234105712 /nfs/dbraw/zinc/10/57/12/234105712.db2.gz DFBFDGKHUXUWLJ-SNVBAGLBSA-N 1 2 318.337 1.554 20 5 DDBDLO Cc1nn(C)c(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000047330893 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1.515 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000589510677 354997888 /nfs/dbraw/zinc/99/78/88/354997888.db2.gz DRWGAWCJFZFVPH-HNNXBMFYSA-N 1 2 320.345 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000589510677 354997890 /nfs/dbraw/zinc/99/78/90/354997890.db2.gz DRWGAWCJFZFVPH-HNNXBMFYSA-N 1 2 320.345 1.992 20 5 DDBDLO NC(=O)c1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000589569833 355001545 /nfs/dbraw/zinc/00/15/45/355001545.db2.gz UTPGKBFZNLJVPU-SNVBAGLBSA-N 1 2 316.321 1.127 20 5 DDBDLO Cc1[nH]ncc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591724944 355372220 /nfs/dbraw/zinc/37/22/20/355372220.db2.gz ZKBCMHKJJNSPBF-UHFFFAOYSA-N 1 2 303.322 1.745 20 5 DDBDLO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000592488855 355596825 /nfs/dbraw/zinc/59/68/25/355596825.db2.gz MLWIBOFFIFXVQU-AWEZNQCLSA-N 1 2 307.350 1.240 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593686207 355967179 /nfs/dbraw/zinc/96/71/79/355967179.db2.gz KLWSGSKOXZUNGX-OCCSQVGLSA-N 1 2 322.340 1.728 20 5 DDBDLO Cc1noc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595502738 356521887 /nfs/dbraw/zinc/52/18/87/356521887.db2.gz XEWATHQFKKMUIK-RNCFNFMXSA-N 1 2 318.333 1.638 20 5 DDBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595802573 356657024 /nfs/dbraw/zinc/65/70/24/356657024.db2.gz PONQMQMIRPRXBX-OAHLLOKOSA-N 1 2 308.334 1.749 20 5 DDBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595802573 356657026 /nfs/dbraw/zinc/65/70/26/356657026.db2.gz PONQMQMIRPRXBX-OAHLLOKOSA-N 1 2 308.334 1.749 20 5 DDBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](CC(F)(F)F)O1 ZINC000595891935 356694486 /nfs/dbraw/zinc/69/44/86/356694486.db2.gz RHKCILGJQIOLSF-UWVGGRQHSA-N 1 2 322.287 1.833 20 5 DDBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](CC(F)(F)F)O1 ZINC000595891935 356694490 /nfs/dbraw/zinc/69/44/90/356694490.db2.gz RHKCILGJQIOLSF-UWVGGRQHSA-N 1 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DDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccccc1[N+](=O)[O-] ZINC000599130777 357824385 /nfs/dbraw/zinc/82/43/85/357824385.db2.gz KUEVIWKLUOLPMH-MRXNPFEDSA-N 1 2 321.377 1.623 20 5 DDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccccc1[N+](=O)[O-] ZINC000599130777 357824386 /nfs/dbraw/zinc/82/43/86/357824386.db2.gz KUEVIWKLUOLPMH-MRXNPFEDSA-N 1 2 321.377 1.623 20 5 DDBDLO CC(=O)N[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599093445 357813459 /nfs/dbraw/zinc/81/34/59/357813459.db2.gz SYDYUGPNYQMOHX-LBPRGKRZSA-N 1 2 300.318 1.858 20 5 DDBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599562203 357974389 /nfs/dbraw/zinc/97/43/89/357974389.db2.gz FNCWHOKENNMGEP-CQSZACIVSA-N 1 2 312.297 1.498 20 5 DDBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599562203 357974392 /nfs/dbraw/zinc/97/43/92/357974392.db2.gz FNCWHOKENNMGEP-CQSZACIVSA-N 1 2 312.297 1.498 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601177296 358435520 /nfs/dbraw/zinc/43/55/20/358435520.db2.gz SZOBCXSZRBRDMN-LLVKDONJSA-N 1 2 315.757 1.353 20 5 DDBDLO Cn1cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602806218 359204448 /nfs/dbraw/zinc/20/44/48/359204448.db2.gz PPGQAWPBDKOYFL-XMHCIUCPSA-N 1 2 322.390 1.538 20 5 DDBDLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603094320 359399659 /nfs/dbraw/zinc/39/96/59/359399659.db2.gz WFBFTPNWNNBOBE-SDBXPKJASA-N 1 2 311.725 1.253 20 5 DDBDLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603094320 359399662 /nfs/dbraw/zinc/39/96/62/359399662.db2.gz WFBFTPNWNNBOBE-SDBXPKJASA-N 1 2 311.725 1.253 20 5 DDBDLO COCC[N@H+](C)Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603212904 359485839 /nfs/dbraw/zinc/48/58/39/359485839.db2.gz BGERHPICYZLGFI-GFCCVEGCSA-N 1 2 319.365 1.874 20 5 DDBDLO COCC[N@@H+](C)Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603212904 359485845 /nfs/dbraw/zinc/48/58/45/359485845.db2.gz BGERHPICYZLGFI-GFCCVEGCSA-N 1 2 319.365 1.874 20 5 DDBDLO COc1cc([N+](=O)[O-])cn(Cc2[nH+]cc(C)c(OC)c2C)c1=O ZINC000603359594 359592207 /nfs/dbraw/zinc/59/22/07/359592207.db2.gz PZVLYIBCPJJLEJ-UHFFFAOYSA-N 1 2 319.317 1.834 20 5 DDBDLO COc1ccc[nH+]c1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000609288262 360288082 /nfs/dbraw/zinc/28/80/82/360288082.db2.gz JWNXBWQDVPLROH-UHFFFAOYSA-N 1 2 315.333 1.720 20 5 DDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000610430115 360434470 /nfs/dbraw/zinc/43/44/70/360434470.db2.gz DVKHBKBKSLILIY-JTQLQIEISA-N 1 2 318.333 1.670 20 5 DDBDLO C[N@H+](Cc1cn[nH]c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610662159 360494872 /nfs/dbraw/zinc/49/48/72/360494872.db2.gz PTXSDWCKPWSMQH-CQSZACIVSA-N 1 2 315.333 1.555 20 5 DDBDLO C[N@@H+](Cc1cn[nH]c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610662159 360494876 /nfs/dbraw/zinc/49/48/76/360494876.db2.gz PTXSDWCKPWSMQH-CQSZACIVSA-N 1 2 315.333 1.555 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000611815540 360832939 /nfs/dbraw/zinc/83/29/39/360832939.db2.gz LVMPQRGWGRDXHF-UHFFFAOYSA-N 1 2 319.361 1.954 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000611815540 360832941 /nfs/dbraw/zinc/83/29/41/360832941.db2.gz LVMPQRGWGRDXHF-UHFFFAOYSA-N 1 2 319.361 1.954 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000194531337 201245160 /nfs/dbraw/zinc/24/51/60/201245160.db2.gz BYEVZKACVGJLRC-UHFFFAOYSA-N 1 2 307.350 1.307 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000271860864 209275483 /nfs/dbraw/zinc/27/54/83/209275483.db2.gz ZLNZVJKKNUIROT-UHFFFAOYSA-N 1 2 317.349 1.712 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCOCC3)c2)s1 ZINC000195507966 201396448 /nfs/dbraw/zinc/39/64/48/201396448.db2.gz QTCJKCKCWPFGDW-UHFFFAOYSA-N 1 2 321.362 1.895 20 5 DDBDLO C[C@H](O)C[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000275030619 212083372 /nfs/dbraw/zinc/08/33/72/212083372.db2.gz OERLAZLSSXZMFL-VIFPVBQESA-N 1 2 301.293 1.376 20 5 DDBDLO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280808621 284346564 /nfs/dbraw/zinc/34/65/64/284346564.db2.gz QJFVZJPUJOCMQK-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280808621 284346567 /nfs/dbraw/zinc/34/65/67/284346567.db2.gz QJFVZJPUJOCMQK-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO CNC(=O)c1ccc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268957664 207122472 /nfs/dbraw/zinc/12/24/72/207122472.db2.gz KERNZHZTPMFNGR-UHFFFAOYSA-N 1 2 317.349 1.677 20 5 DDBDLO O=C(NCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352436732 285049513 /nfs/dbraw/zinc/04/95/13/285049513.db2.gz JQZBQSCHTFDKBG-UHFFFAOYSA-N 1 2 312.232 1.849 20 5 DDBDLO CO[C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000292426178 533103482 /nfs/dbraw/zinc/10/34/82/533103482.db2.gz CQAMKESWSDXJQT-GHMZBOCLSA-N 1 2 318.333 1.934 20 5 DDBDLO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000568990363 304327718 /nfs/dbraw/zinc/32/77/18/304327718.db2.gz BLFPOJMAFNZJKR-ZJUUUORDSA-N 1 2 324.362 1.537 20 5 DDBDLO COc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000569940655 304386422 /nfs/dbraw/zinc/38/64/22/304386422.db2.gz HOQLPNPFEJYZJU-STQMWFEESA-N 1 2 321.377 1.903 20 5 DDBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869947 406984449 /nfs/dbraw/zinc/98/44/49/406984449.db2.gz UNSAGBBOYRFPMB-SNVBAGLBSA-N 1 2 318.782 1.867 20 5 DDBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869947 406984451 /nfs/dbraw/zinc/98/44/51/406984451.db2.gz UNSAGBBOYRFPMB-SNVBAGLBSA-N 1 2 318.782 1.867 20 5 DDBDLO CN(C)c1[nH+]cccc1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000079722582 407061709 /nfs/dbraw/zinc/06/17/09/407061709.db2.gz ZUBGHRHANPVVJL-UHFFFAOYSA-N 1 2 318.337 1.305 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164995 407658220 /nfs/dbraw/zinc/65/82/20/407658220.db2.gz OLBCCSYWSCOFKU-CQSZACIVSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000115164995 407658225 /nfs/dbraw/zinc/65/82/25/407658225.db2.gz OLBCCSYWSCOFKU-CQSZACIVSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000152863821 407706156 /nfs/dbraw/zinc/70/61/56/407706156.db2.gz IUFPRIHOXSSVSM-UONOGXRCSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000152863821 407706162 /nfs/dbraw/zinc/70/61/62/407706162.db2.gz IUFPRIHOXSSVSM-UONOGXRCSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000267229590 407798139 /nfs/dbraw/zinc/79/81/39/407798139.db2.gz PGAOZBKALPAKNM-UHFFFAOYSA-N 1 2 303.322 1.379 20 5 DDBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000187334200 407844802 /nfs/dbraw/zinc/84/48/02/407844802.db2.gz ZFCBZBFBWZMHSZ-INIZCTEOSA-N 1 2 321.377 1.964 20 5 DDBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000187334200 407844808 /nfs/dbraw/zinc/84/48/08/407844808.db2.gz ZFCBZBFBWZMHSZ-INIZCTEOSA-N 1 2 321.377 1.964 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181241570 407967773 /nfs/dbraw/zinc/96/77/73/407967773.db2.gz SEVJBDCQBRXYII-NSHDSACASA-N 1 2 308.256 1.958 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181241570 407967778 /nfs/dbraw/zinc/96/77/78/407967778.db2.gz SEVJBDCQBRXYII-NSHDSACASA-N 1 2 308.256 1.958 20 5 DDBDLO CC[C@]1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000135695488 408049223 /nfs/dbraw/zinc/04/92/23/408049223.db2.gz SPMOZFNKRABWSE-OAHLLOKOSA-N 1 2 307.350 1.695 20 5 DDBDLO CC[C@]1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000135695488 408049230 /nfs/dbraw/zinc/04/92/30/408049230.db2.gz SPMOZFNKRABWSE-OAHLLOKOSA-N 1 2 307.350 1.695 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000154741181 408079479 /nfs/dbraw/zinc/07/94/79/408079479.db2.gz GPBOGIPIRPTRQE-UHFFFAOYSA-N 1 2 318.333 1.962 20 5 DDBDLO C[N@@H+](Cc1cscn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222411 408097826 /nfs/dbraw/zinc/09/78/26/408097826.db2.gz UWAZGRRIPAWCMM-GFCCVEGCSA-N 1 2 323.374 1.923 20 5 DDBDLO C[N@H+](Cc1cscn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222411 408097833 /nfs/dbraw/zinc/09/78/33/408097833.db2.gz UWAZGRRIPAWCMM-GFCCVEGCSA-N 1 2 323.374 1.923 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000155590741 408184275 /nfs/dbraw/zinc/18/42/75/408184275.db2.gz PUPIEIJMFXXHJY-UHFFFAOYSA-N 1 2 307.285 1.022 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@H]2CN3CC[NH+]2CC3)c2ncccc12 ZINC000269496672 408331646 /nfs/dbraw/zinc/33/16/46/408331646.db2.gz PCKFJKCJIOOHMP-LBPRGKRZSA-N 1 2 313.361 1.555 20 5 DDBDLO Cc1cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000274861413 408559075 /nfs/dbraw/zinc/55/90/75/408559075.db2.gz ZDQBSRZCUHXKPS-ZDUSSCGKSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000274861413 408559078 /nfs/dbraw/zinc/55/90/78/408559078.db2.gz ZDQBSRZCUHXKPS-ZDUSSCGKSA-N 1 2 321.381 1.271 20 5 DDBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1O ZINC000184589705 408648972 /nfs/dbraw/zinc/64/89/72/408648972.db2.gz IPAYIIHWSBIWPW-UHFFFAOYSA-N 1 2 312.285 1.878 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000270773899 408676664 /nfs/dbraw/zinc/67/66/64/408676664.db2.gz IMHUNJGCASVXMH-SECBINFHSA-N 1 2 304.310 1.419 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278932032 409115273 /nfs/dbraw/zinc/11/52/73/409115273.db2.gz VHLIXPJKEOPGRP-LLVKDONJSA-N 1 2 324.337 1.660 20 5 DDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)Cn1cc[nH+]c1 ZINC000284186490 409292945 /nfs/dbraw/zinc/29/29/45/409292945.db2.gz YQGDKXODPNSOEK-SECBINFHSA-N 1 2 321.312 1.579 20 5 DDBDLO Cn1c[nH+]cc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296011063 409399907 /nfs/dbraw/zinc/39/99/07/409399907.db2.gz MOZGUOOEQARMFJ-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000408075848 164220035 /nfs/dbraw/zinc/22/00/35/164220035.db2.gz ZYLWWTSLUVZGDQ-ZJUUUORDSA-N 1 2 317.349 1.636 20 5 DDBDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000408075848 164220037 /nfs/dbraw/zinc/22/00/37/164220037.db2.gz ZYLWWTSLUVZGDQ-ZJUUUORDSA-N 1 2 317.349 1.636 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267084 410027457 /nfs/dbraw/zinc/02/74/57/410027457.db2.gz UOEICVOBXVCYIM-ZIAGYGMSSA-N 1 2 311.769 1.763 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267084 410027462 /nfs/dbraw/zinc/02/74/62/410027462.db2.gz UOEICVOBXVCYIM-ZIAGYGMSSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267084 410027470 /nfs/dbraw/zinc/02/74/70/410027470.db2.gz UOEICVOBXVCYIM-ZIAGYGMSSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267084 410027476 /nfs/dbraw/zinc/02/74/76/410027476.db2.gz UOEICVOBXVCYIM-ZIAGYGMSSA-N 1 2 311.769 1.763 20 5 DDBDLO Cc1cc[nH+]cc1N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000332436562 410154926 /nfs/dbraw/zinc/15/49/26/410154926.db2.gz YLPXRSOZKBKEQM-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000355130401 410330134 /nfs/dbraw/zinc/33/01/34/410330134.db2.gz JKRIQXJGKALOSB-STQMWFEESA-N 1 2 321.377 1.363 20 5 DDBDLO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCOCC1 ZINC000298865298 410429959 /nfs/dbraw/zinc/42/99/59/410429959.db2.gz UUVVEFDBPMQSOO-GFCCVEGCSA-N 1 2 310.354 1.010 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337591690 410882621 /nfs/dbraw/zinc/88/26/21/410882621.db2.gz NGSQEUUMYBTEHT-CYBMUJFWSA-N 1 2 318.308 1.849 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccnn1C ZINC000348381937 410942254 /nfs/dbraw/zinc/94/22/54/410942254.db2.gz XDKUQUJWVRWIKA-NSHDSACASA-N 1 2 317.349 1.787 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccnn1C ZINC000348381937 410942259 /nfs/dbraw/zinc/94/22/59/410942259.db2.gz XDKUQUJWVRWIKA-NSHDSACASA-N 1 2 317.349 1.787 20 5 DDBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000359991860 410989576 /nfs/dbraw/zinc/98/95/76/410989576.db2.gz ILKVOJXKEZWBII-ZDUSSCGKSA-N 1 2 316.365 1.905 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360248862 411112928 /nfs/dbraw/zinc/11/29/28/411112928.db2.gz HPJMFABTGVGAAG-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360248862 411112932 /nfs/dbraw/zinc/11/29/32/411112932.db2.gz HPJMFABTGVGAAG-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331829 226120553 /nfs/dbraw/zinc/12/05/53/226120553.db2.gz RXEGQPRARFJCJK-UONOGXRCSA-N 1 2 323.393 1.361 20 5 DDBDLO C[C@@H]1CN(CCO)[C@@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331829 226120555 /nfs/dbraw/zinc/12/05/55/226120555.db2.gz RXEGQPRARFJCJK-UONOGXRCSA-N 1 2 323.393 1.361 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000366300809 418454129 /nfs/dbraw/zinc/45/41/29/418454129.db2.gz DFMOUHOMBMYOFI-QMMMGPOBSA-N 1 2 317.305 1.014 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000366300809 418454130 /nfs/dbraw/zinc/45/41/30/418454130.db2.gz DFMOUHOMBMYOFI-QMMMGPOBSA-N 1 2 317.305 1.014 20 5 DDBDLO Cc1c(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000360524183 418455898 /nfs/dbraw/zinc/45/58/98/418455898.db2.gz GFFGBOXAXXMHIR-LBPRGKRZSA-N 1 2 314.345 1.979 20 5 DDBDLO COc1cccc(C(=O)N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000192785489 222135972 /nfs/dbraw/zinc/13/59/72/222135972.db2.gz VGCGECSJXJURIE-UHFFFAOYSA-N 1 2 318.333 1.962 20 5 DDBDLO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000367668422 418620705 /nfs/dbraw/zinc/62/07/05/418620705.db2.gz AXDYERQJGZDISD-YGRLFVJLSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000367668422 418620708 /nfs/dbraw/zinc/62/07/08/418620708.db2.gz AXDYERQJGZDISD-YGRLFVJLSA-N 1 2 305.334 1.467 20 5 DDBDLO CCc1nnc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)[nH]1 ZINC000364587567 418789392 /nfs/dbraw/zinc/78/93/92/418789392.db2.gz DFQUUXIVTMEXCV-UHFFFAOYSA-N 1 2 319.369 1.388 20 5 DDBDLO CCc1n[nH]c(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000364587567 418789394 /nfs/dbraw/zinc/78/93/94/418789394.db2.gz DFQUUXIVTMEXCV-UHFFFAOYSA-N 1 2 319.369 1.388 20 5 DDBDLO CCc1nc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)n[nH]1 ZINC000364587567 418789396 /nfs/dbraw/zinc/78/93/96/418789396.db2.gz DFQUUXIVTMEXCV-UHFFFAOYSA-N 1 2 319.369 1.388 20 5 DDBDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354282 418860022 /nfs/dbraw/zinc/86/00/22/418860022.db2.gz IWVNDPRTWKXQLV-NWDGAFQWSA-N 1 2 310.354 1.770 20 5 DDBDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354282 418860023 /nfs/dbraw/zinc/86/00/23/418860023.db2.gz IWVNDPRTWKXQLV-NWDGAFQWSA-N 1 2 310.354 1.770 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1O ZINC000372470062 418874286 /nfs/dbraw/zinc/87/42/86/418874286.db2.gz CZNCTTYBUZLTBH-QWRGUYRKSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1O ZINC000372470062 418874288 /nfs/dbraw/zinc/87/42/88/418874288.db2.gz CZNCTTYBUZLTBH-QWRGUYRKSA-N 1 2 305.334 1.657 20 5 DDBDLO COc1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000420949054 419376705 /nfs/dbraw/zinc/37/67/05/419376705.db2.gz WBJZCZZVZCTQMV-LBPRGKRZSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000420949054 419376709 /nfs/dbraw/zinc/37/67/09/419376709.db2.gz WBJZCZZVZCTQMV-LBPRGKRZSA-N 1 2 310.350 1.575 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC000427358468 419643185 /nfs/dbraw/zinc/64/31/85/419643185.db2.gz QZEWUOZPGTUCGM-UHFFFAOYSA-N 1 2 300.278 1.711 20 5 DDBDLO COc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428373394 419856591 /nfs/dbraw/zinc/85/65/91/419856591.db2.gz LSJMPMOXCXXXBN-LLVKDONJSA-N 1 2 316.317 1.545 20 5 DDBDLO COCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299326752 229052387 /nfs/dbraw/zinc/05/23/87/229052387.db2.gz ZEEGWPKIRPGIBA-UHFFFAOYSA-N 1 2 318.333 1.889 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000430196846 420090640 /nfs/dbraw/zinc/09/06/40/420090640.db2.gz SSBOPIJLYNWWPK-SMDDNHRTSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000430196846 420090645 /nfs/dbraw/zinc/09/06/45/420090645.db2.gz SSBOPIJLYNWWPK-SMDDNHRTSA-N 1 2 310.350 1.575 20 5 DDBDLO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000444716393 230125142 /nfs/dbraw/zinc/12/51/42/230125142.db2.gz FUSSKQDHIGSCEV-JTQLQIEISA-N 1 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ZINC000459803287 420877965 /nfs/dbraw/zinc/87/79/65/420877965.db2.gz ZGWCGLKMKJLQHF-JTQLQIEISA-N 1 2 303.322 1.618 20 5 DDBDLO CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448674566 420881188 /nfs/dbraw/zinc/88/11/88/420881188.db2.gz YNQKRZSRGKXPGV-UHFFFAOYSA-N 1 2 318.333 1.889 20 5 DDBDLO Cc1nc(N(C)C)nc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488433813 421090782 /nfs/dbraw/zinc/09/07/82/421090782.db2.gz KZSSSYSUTPBPRS-UHFFFAOYSA-N 1 2 302.338 1.809 20 5 DDBDLO Cc1nc(NCCc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000488433813 421090788 /nfs/dbraw/zinc/09/07/88/421090788.db2.gz KZSSSYSUTPBPRS-UHFFFAOYSA-N 1 2 302.338 1.809 20 5 DDBDLO C[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450037128 421133376 /nfs/dbraw/zinc/13/33/76/421133376.db2.gz CWWVZBBBBGOCQW-HNNXBMFYSA-N 1 2 316.317 1.377 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456413153 421162567 /nfs/dbraw/zinc/16/25/67/421162567.db2.gz HXMYEZSNMCKPEC-IONNQARKSA-N 1 2 303.278 1.328 20 5 DDBDLO CNc1nc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456433552 421166534 /nfs/dbraw/zinc/16/65/34/421166534.db2.gz UIESRRPWERULEA-WCBMZHEXSA-N 1 2 316.321 1.664 20 5 DDBDLO C[C@H]1CC[N@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000524775234 421271170 /nfs/dbraw/zinc/27/11/70/421271170.db2.gz AVQPTVZHVZSXRG-JTQLQIEISA-N 1 2 317.349 1.543 20 5 DDBDLO C[C@H]1CC[N@@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000524775234 421271174 /nfs/dbraw/zinc/27/11/74/421271174.db2.gz AVQPTVZHVZSXRG-JTQLQIEISA-N 1 2 317.349 1.543 20 5 DDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000546178606 421288794 /nfs/dbraw/zinc/28/87/94/421288794.db2.gz OZEDQUVWPQSQTC-UHFFFAOYSA-N 1 2 324.362 1.550 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000554224611 421633954 /nfs/dbraw/zinc/63/39/54/421633954.db2.gz OKXHWAYSVCIDHB-UHFFFAOYSA-N 1 2 303.322 1.099 20 5 DDBDLO C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 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DDBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000342364437 271391185 /nfs/dbraw/zinc/39/11/85/271391185.db2.gz FAAXWMZWQKTGHO-LLVKDONJSA-N 1 2 308.338 1.107 20 5 DDBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000342364437 271391188 /nfs/dbraw/zinc/39/11/88/271391188.db2.gz FAAXWMZWQKTGHO-LLVKDONJSA-N 1 2 308.338 1.107 20 5 DDBDLO Cc1cn2cc(NC(=O)c3c([N+](=O)[O-])cnn3C)ccc2[nH+]1 ZINC000347154463 272622276 /nfs/dbraw/zinc/62/22/76/272622276.db2.gz KWMINTSNFUKNHE-UHFFFAOYSA-N 1 2 300.278 1.537 20 5 DDBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc[nH+]1 ZINC000301401771 274858542 /nfs/dbraw/zinc/85/85/42/274858542.db2.gz JEBMJOJGXUBFMS-UHFFFAOYSA-N 1 2 300.322 1.415 20 5 DDBDLO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000336861539 277586531 /nfs/dbraw/zinc/58/65/31/277586531.db2.gz CECJMDHYBPWMGM-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO COC(=O)c1cc(C(=O)NCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000355275916 298696420 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/nfs/dbraw/zinc/17/41/48/307174148.db2.gz KYACXIGANXXCMX-GFCCVEGCSA-N 1 2 313.379 1.156 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425358135 307302533 /nfs/dbraw/zinc/30/25/33/307302533.db2.gz ZGHFSUHXVLXTKC-GFCCVEGCSA-N 1 2 303.322 1.729 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425358135 307302534 /nfs/dbraw/zinc/30/25/34/307302534.db2.gz ZGHFSUHXVLXTKC-GFCCVEGCSA-N 1 2 303.322 1.729 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000577144171 308365711 /nfs/dbraw/zinc/36/57/11/308365711.db2.gz GXAVEZYOUMGKHH-GFCCVEGCSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000577144171 308365712 /nfs/dbraw/zinc/36/57/12/308365712.db2.gz GXAVEZYOUMGKHH-GFCCVEGCSA-N 1 2 307.350 1.544 20 5 DDBDLO COc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000577184064 308369049 /nfs/dbraw/zinc/36/90/49/308369049.db2.gz ITPSRBNIZRJYIB-UHFFFAOYSA-N 1 2 304.306 1.992 20 5 DDBDLO COc1cc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000433260639 533828662 /nfs/dbraw/zinc/82/86/62/533828662.db2.gz ZJBGRGAMFSWKGI-FIKIJFGZSA-N 1 2 312.391 1.804 20 5 DDBDLO COc1cc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000433260639 533828669 /nfs/dbraw/zinc/82/86/69/533828669.db2.gz ZJBGRGAMFSWKGI-FIKIJFGZSA-N 1 2 312.391 1.804 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000451451918 534338272 /nfs/dbraw/zinc/33/82/72/534338272.db2.gz DICPYTADWREVMP-FZMZJTMJSA-N 1 2 307.350 1.687 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000451451918 534338279 /nfs/dbraw/zinc/33/82/79/534338279.db2.gz DICPYTADWREVMP-FZMZJTMJSA-N 1 2 307.350 1.687 20 5 DDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000332659990 534887786 /nfs/dbraw/zinc/88/77/86/534887786.db2.gz WQJHECXHUWYBEY-UHFFFAOYSA-N 1 2 322.346 1.137 20 5 DDBDLO O=C(NC1=NCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627475 696124975 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DDBDLO C[C@H]1C[N@H+](CCOC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000800131911 700191738 /nfs/dbraw/zinc/19/17/38/700191738.db2.gz VPKLGNQDFMQOFW-LBPRGKRZSA-N 1 2 324.333 1.238 20 5 DDBDLO C[C@H]1C[N@@H+](CCOC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000800131911 700191741 /nfs/dbraw/zinc/19/17/41/700191741.db2.gz VPKLGNQDFMQOFW-LBPRGKRZSA-N 1 2 324.333 1.238 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313643656 698683708 /nfs/dbraw/zinc/68/37/08/698683708.db2.gz SFMZGADUTCSNHL-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313643656 698683709 /nfs/dbraw/zinc/68/37/09/698683709.db2.gz SFMZGADUTCSNHL-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000726254325 699355700 /nfs/dbraw/zinc/35/57/00/699355700.db2.gz GQHRYXMXFCPRDQ-LBPRGKRZSA-N 1 2 322.365 1.115 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000726254325 699355704 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CS[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000840115509 701975820 /nfs/dbraw/zinc/97/58/20/701975820.db2.gz VNHYQQLQSOJRBM-SECBINFHSA-N 1 2 309.347 1.898 20 5 DDBDLO CC[N@H+](C[C@@H](C)OC)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000812302662 702143654 /nfs/dbraw/zinc/14/36/54/702143654.db2.gz DRIWWVKJMDQJKE-SNVBAGLBSA-N 1 2 309.322 1.817 20 5 DDBDLO CC[N@@H+](C[C@@H](C)OC)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000812302662 702143656 /nfs/dbraw/zinc/14/36/56/702143656.db2.gz DRIWWVKJMDQJKE-SNVBAGLBSA-N 1 2 309.322 1.817 20 5 DDBDLO O=C(NOC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000812788609 702239308 /nfs/dbraw/zinc/23/93/08/702239308.db2.gz RDJNMWWHLXWPPY-UHFFFAOYSA-N 1 2 302.290 1.994 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844392956 703024891 /nfs/dbraw/zinc/02/48/91/703024891.db2.gz NXYJWTLQJIKUQU-WDEREUQCSA-N 1 2 300.742 1.830 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844392956 703024892 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DDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877788590 706213321 /nfs/dbraw/zinc/21/33/21/706213321.db2.gz WCURBJLQZDOKBG-QWHCGFSZSA-N 1 2 310.375 1.461 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877788590 706213324 /nfs/dbraw/zinc/21/33/24/706213324.db2.gz WCURBJLQZDOKBG-QWHCGFSZSA-N 1 2 310.375 1.461 20 5 DDBDLO COc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000867324969 706961348 /nfs/dbraw/zinc/96/13/48/706961348.db2.gz VHMDWHUTFZKMPJ-IHWYPQMZSA-N 1 2 321.333 1.430 20 5 DDBDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000880565717 707019666 /nfs/dbraw/zinc/01/96/66/707019666.db2.gz GPRDNIPSIRBSIY-CYBMUJFWSA-N 1 2 314.725 1.358 20 5 DDBDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000880565717 707019668 /nfs/dbraw/zinc/01/96/68/707019668.db2.gz GPRDNIPSIRBSIY-CYBMUJFWSA-N 1 2 314.725 1.358 20 5 DDBDLO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872082660 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C[C@H](C[NH+]1CCOCC1)Oc1nc2c(cccc2[N+](=O)[O-])o1 ZINC001227239251 882924170 /nfs/dbraw/zinc/92/41/70/882924170.db2.gz VKWMYSZJTOWZBF-SNVBAGLBSA-N 1 2 307.306 1.836 20 5 DDBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CSCC[NH2+]2)n1 ZINC001248601725 893656118 /nfs/dbraw/zinc/65/61/18/893656118.db2.gz QYISXJJWVGRKBD-SSDOTTSWSA-N 1 2 311.298 1.556 20 5 DDBDLO CC(C)n1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001265843014 902478794 /nfs/dbraw/zinc/47/87/94/902478794.db2.gz SSJBYWPSFGWHAD-ZIAGYGMSSA-N 1 2 323.397 1.067 20 5 DDBDLO CC(C)n1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001265843014 902478802 /nfs/dbraw/zinc/47/88/02/902478802.db2.gz SSJBYWPSFGWHAD-ZIAGYGMSSA-N 1 2 323.397 1.067 20 5 DDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000092843910 185345702 /nfs/dbraw/zinc/34/57/02/185345702.db2.gz IEANYHNECRCXKI-JTQLQIEISA-N 1 2 319.408 1.170 20 5 DDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000092843910 185345703 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COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000052940078 352633578 /nfs/dbraw/zinc/63/35/78/352633578.db2.gz NUGKPGPDOHTJMQ-UHFFFAOYSA-N 1 2 323.349 1.653 20 5 DDBDLO COCCC(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000355726535 290985119 /nfs/dbraw/zinc/98/51/19/290985119.db2.gz IBFJBKSPAQBIPK-ZDUSSCGKSA-N 1 2 321.377 1.837 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000075618980 353371978 /nfs/dbraw/zinc/37/19/78/353371978.db2.gz HLDMFRPOTKWAAI-CYBMUJFWSA-N 1 2 320.393 1.362 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000075618980 353371980 /nfs/dbraw/zinc/37/19/80/353371980.db2.gz HLDMFRPOTKWAAI-CYBMUJFWSA-N 1 2 320.393 1.362 20 5 DDBDLO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCOCC3)ccc2c1 ZINC000076398958 353419029 /nfs/dbraw/zinc/41/90/29/353419029.db2.gz QWDFXIMVBRLIPE-UHFFFAOYSA-N 1 2 302.334 1.887 20 5 DDBDLO CC(C)C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076575352 353427457 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KSVULTXXTBDBOK-MWLCHTKSSA-N 1 2 319.321 1.899 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)[nH]1 ZINC000278034243 409054327 /nfs/dbraw/zinc/05/43/27/409054327.db2.gz KSVULTXXTBDBOK-MWLCHTKSSA-N 1 2 319.321 1.899 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000278823056 409096000 /nfs/dbraw/zinc/09/60/00/409096000.db2.gz JKSMRCGWUILZLB-UHFFFAOYSA-N 1 2 308.382 1.845 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC000278823056 409096003 /nfs/dbraw/zinc/09/60/03/409096003.db2.gz JKSMRCGWUILZLB-UHFFFAOYSA-N 1 2 308.382 1.845 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000284016944 409259076 /nfs/dbraw/zinc/25/90/76/409259076.db2.gz JAGNLIMEMXGVGV-GHMZBOCLSA-N 1 2 311.363 1.201 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000284016944 409259077 /nfs/dbraw/zinc/25/90/77/409259077.db2.gz JAGNLIMEMXGVGV-GHMZBOCLSA-N 1 2 311.363 1.201 20 5 DDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293908255 409205729 /nfs/dbraw/zinc/20/57/29/409205729.db2.gz WSRLJVUTPAVDGC-PHIMTYICSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000293908255 409205731 /nfs/dbraw/zinc/20/57/31/409205731.db2.gz WSRLJVUTPAVDGC-PHIMTYICSA-N 1 2 313.379 1.308 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284105459 409276859 /nfs/dbraw/zinc/27/68/59/409276859.db2.gz NVLNVJYWSAURGP-UONOGXRCSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284105459 409276861 /nfs/dbraw/zinc/27/68/61/409276861.db2.gz NVLNVJYWSAURGP-UONOGXRCSA-N 1 2 305.334 1.140 20 5 DDBDLO CCn1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000295908990 409373674 /nfs/dbraw/zinc/37/36/74/409373674.db2.gz DEDIQPLRQWOPCW-UHFFFAOYSA-N 1 2 316.365 1.528 20 5 DDBDLO NC(=O)C1(O)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000314884324 164016935 /nfs/dbraw/zinc/01/69/35/164016935.db2.gz BEPSLOMPFWJWBD-UHFFFAOYSA-N 1 2 313.741 1.060 20 5 DDBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000316648135 164023201 /nfs/dbraw/zinc/02/32/01/164023201.db2.gz BKKYTJGBDRHQDQ-JTQLQIEISA-N 1 2 307.306 1.028 20 5 DDBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000316648135 164023202 /nfs/dbraw/zinc/02/32/02/164023202.db2.gz BKKYTJGBDRHQDQ-JTQLQIEISA-N 1 2 307.306 1.028 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313644575 409814590 /nfs/dbraw/zinc/81/45/90/409814590.db2.gz SXYYSVBETCMRAE-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313644575 409814596 /nfs/dbraw/zinc/81/45/96/409814596.db2.gz SXYYSVBETCMRAE-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000349840502 409914397 /nfs/dbraw/zinc/91/43/97/409914397.db2.gz PSNWDQQMUDLLCF-LBPRGKRZSA-N 1 2 321.337 1.765 20 5 DDBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000349840502 409914402 /nfs/dbraw/zinc/91/44/02/409914402.db2.gz PSNWDQQMUDLLCF-LBPRGKRZSA-N 1 2 321.337 1.765 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000351798446 410245307 /nfs/dbraw/zinc/24/53/07/410245307.db2.gz MEYZGBFVARYLLP-UHFFFAOYSA-N 1 2 324.362 1.387 20 5 DDBDLO CCN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298486960 410253406 /nfs/dbraw/zinc/25/34/06/410253406.db2.gz WSIINXJIVYVVEY-UHFFFAOYSA-N 1 2 306.366 1.195 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000343348550 410381889 /nfs/dbraw/zinc/38/18/89/410381889.db2.gz YSQBGOUZGWXCFA-CYBMUJFWSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000343348550 410381898 /nfs/dbraw/zinc/38/18/98/410381898.db2.gz YSQBGOUZGWXCFA-CYBMUJFWSA-N 1 2 319.361 1.496 20 5 DDBDLO Nc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)ncc1[N+](=O)[O-] ZINC000301126269 410661779 /nfs/dbraw/zinc/66/17/79/410661779.db2.gz QCECOANJRPGNQB-UHFFFAOYSA-N 1 2 311.305 1.765 20 5 DDBDLO Cc1cc(NCCNC(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301536300 410738591 /nfs/dbraw/zinc/73/85/91/410738591.db2.gz AJDDHVFXODSOAH-UHFFFAOYSA-N 1 2 316.321 1.440 20 5 DDBDLO O=[N+]([O-])c1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000359484177 410685752 /nfs/dbraw/zinc/68/57/52/410685752.db2.gz VJXRJZGSPWLBJI-UHFFFAOYSA-N 1 2 317.349 1.867 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000353197379 410846062 /nfs/dbraw/zinc/84/60/62/410846062.db2.gz UVDCYFIZXIMNLY-UHFFFAOYSA-N 1 2 300.278 1.433 20 5 DDBDLO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356582191 298824660 /nfs/dbraw/zinc/82/46/60/298824660.db2.gz SDZXDHFZXOKEPX-NSHDSACASA-N 1 2 323.349 1.141 20 5 DDBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419322453 226113822 /nfs/dbraw/zinc/11/38/22/226113822.db2.gz HKDGQTWFYUWDMQ-KBPBESRZSA-N 1 2 323.393 1.361 20 5 DDBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419322453 226113825 /nfs/dbraw/zinc/11/38/25/226113825.db2.gz HKDGQTWFYUWDMQ-KBPBESRZSA-N 1 2 323.393 1.361 20 5 DDBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366697965 418506859 /nfs/dbraw/zinc/50/68/59/418506859.db2.gz RDDXDXZULZSXNL-CYBMUJFWSA-N 1 2 317.349 1.327 20 5 DDBDLO Cn1ccnc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366697965 418506861 /nfs/dbraw/zinc/50/68/61/418506861.db2.gz RDDXDXZULZSXNL-CYBMUJFWSA-N 1 2 317.349 1.327 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374361452 418522653 /nfs/dbraw/zinc/52/26/53/418522653.db2.gz WPKGWVFBSYTXCA-AWEZNQCLSA-N 1 2 313.317 1.172 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000192554369 418523748 /nfs/dbraw/zinc/52/37/48/418523748.db2.gz DBINBRGOXQHVIR-UHFFFAOYSA-N 1 2 311.386 1.642 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CCOC(C)(C)C1 ZINC000192554369 418523750 /nfs/dbraw/zinc/52/37/50/418523750.db2.gz DBINBRGOXQHVIR-UHFFFAOYSA-N 1 2 311.386 1.642 20 5 DDBDLO O=C(N1CCn2c[nH+]cc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000290953844 222026877 /nfs/dbraw/zinc/02/68/77/222026877.db2.gz QMDXVXOXEGHGIR-UHFFFAOYSA-N 1 2 322.271 1.926 20 5 DDBDLO COCC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000360879749 418539801 /nfs/dbraw/zinc/53/98/01/418539801.db2.gz LICPEMHAWSFYHE-UHFFFAOYSA-N 1 2 307.350 1.566 20 5 DDBDLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367461554 418601733 /nfs/dbraw/zinc/60/17/33/418601733.db2.gz APFKVWJKEVMGIY-CQSZACIVSA-N 1 2 322.321 1.733 20 5 DDBDLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367461554 418601736 /nfs/dbraw/zinc/60/17/36/418601736.db2.gz APFKVWJKEVMGIY-CQSZACIVSA-N 1 2 322.321 1.733 20 5 DDBDLO O=[N+]([O-])c1cccc2ncnc(NCCNc3cccc[nH+]3)c21 ZINC000347433799 418638941 /nfs/dbraw/zinc/63/89/41/418638941.db2.gz PURNOIKNERRPBJ-UHFFFAOYSA-N 1 2 310.317 2.457 20 5 DDBDLO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000364818925 418813010 /nfs/dbraw/zinc/81/30/10/418813010.db2.gz ZQTWTHRYNGHCHO-RISCZKNCSA-N 1 2 319.361 1.857 20 5 DDBDLO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000364818925 418813012 /nfs/dbraw/zinc/81/30/12/418813012.db2.gz ZQTWTHRYNGHCHO-RISCZKNCSA-N 1 2 319.361 1.857 20 5 DDBDLO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cn2)CC1 ZINC000372212497 418845763 /nfs/dbraw/zinc/84/57/63/418845763.db2.gz ZREJWWHQHYLMBE-STQMWFEESA-N 1 2 320.349 1.158 20 5 DDBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1c([N+](=O)[O-])ncn1C ZINC000372990290 418919299 /nfs/dbraw/zinc/91/92/99/418919299.db2.gz PDNHDKUIOSQUGX-UHFFFAOYSA-N 1 2 304.354 1.493 20 5 DDBDLO COc1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373234374 418932736 /nfs/dbraw/zinc/93/27/36/418932736.db2.gz VXAUTQMRQXVZOA-GFCCVEGCSA-N 1 2 320.349 1.155 20 5 DDBDLO COc1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373234374 418932737 /nfs/dbraw/zinc/93/27/37/418932737.db2.gz VXAUTQMRQXVZOA-GFCCVEGCSA-N 1 2 320.349 1.155 20 5 DDBDLO CCn1c[nH+]cc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418084798 419521541 /nfs/dbraw/zinc/52/15/41/419521541.db2.gz RORWDPFQAKAWTB-UHFFFAOYSA-N 1 2 316.365 1.528 20 5 DDBDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418110982 419540013 /nfs/dbraw/zinc/54/00/13/419540013.db2.gz KGESZPHNGHOCRE-RYUDHWBXSA-N 1 2 309.366 1.187 20 5 DDBDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418110982 419540020 /nfs/dbraw/zinc/54/00/20/419540020.db2.gz KGESZPHNGHOCRE-RYUDHWBXSA-N 1 2 309.366 1.187 20 5 DDBDLO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000422010898 419803423 /nfs/dbraw/zinc/80/34/23/419803423.db2.gz UAZOCJUBVUGHGI-UHFFFAOYSA-N 1 2 307.350 1.903 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456864147 420557216 /nfs/dbraw/zinc/55/72/16/420557216.db2.gz RRCWXLGXPCZSNW-UHFFFAOYSA-N 1 2 317.349 1.818 20 5 DDBDLO C[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000450940477 420564825 /nfs/dbraw/zinc/56/48/25/420564825.db2.gz NXSGDKYOGNSWIB-NSHDSACASA-N 1 2 300.380 1.502 20 5 DDBDLO C[C@@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000450940477 420564828 /nfs/dbraw/zinc/56/48/28/420564828.db2.gz NXSGDKYOGNSWIB-NSHDSACASA-N 1 2 300.380 1.502 20 5 DDBDLO CC(C)(C(=O)Nc1c[nH+]c2n1CCCC2)n1cc([N+](=O)[O-])cn1 ZINC000452750383 420655526 /nfs/dbraw/zinc/65/55/26/420655526.db2.gz FLXILXBYJZADGX-UHFFFAOYSA-N 1 2 318.337 1.698 20 5 DDBDLO Cc1cnc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000453581128 420732392 /nfs/dbraw/zinc/73/23/92/420732392.db2.gz UWXYYNPMCHNEMH-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO Cc1nccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000453576349 420732727 /nfs/dbraw/zinc/73/27/27/420732727.db2.gz MKIDAVZVYVXTOI-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493221332 420791035 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CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449950919 421116044 /nfs/dbraw/zinc/11/60/44/421116044.db2.gz JUYMPFKKYFVTLH-OAHLLOKOSA-N 1 2 318.333 1.671 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000523051871 421230189 /nfs/dbraw/zinc/23/01/89/421230189.db2.gz OAWSSHKBBGDINE-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000523051871 421230191 /nfs/dbraw/zinc/23/01/91/421230191.db2.gz OAWSSHKBBGDINE-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO C[N@@H+]1CCO[C@H](CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000580948995 421869516 /nfs/dbraw/zinc/86/95/16/421869516.db2.gz FAGXKZFOOWHKMN-JTQLQIEISA-N 1 2 308.363 1.894 20 5 DDBDLO C[N@H+]1CCO[C@H](CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000580948995 421869520 /nfs/dbraw/zinc/86/95/20/421869520.db2.gz FAGXKZFOOWHKMN-JTQLQIEISA-N 1 2 308.363 1.894 20 5 DDBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC000576097994 422369670 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232091399 /nfs/dbraw/zinc/09/13/99/232091399.db2.gz GSWNXBLEGLLWDU-WDEREUQCSA-N 1 2 313.379 1.409 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330818659 232091402 /nfs/dbraw/zinc/09/14/02/232091402.db2.gz GSWNXBLEGLLWDU-WDEREUQCSA-N 1 2 313.379 1.409 20 5 DDBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159738882 186138737 /nfs/dbraw/zinc/13/87/37/186138737.db2.gz QRXQLKTUFYHWLO-ZDUSSCGKSA-N 1 2 323.349 1.174 20 5 DDBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159738882 186138739 /nfs/dbraw/zinc/13/87/39/186138739.db2.gz QRXQLKTUFYHWLO-ZDUSSCGKSA-N 1 2 323.349 1.174 20 5 DDBDLO CCCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000022809996 352180468 /nfs/dbraw/zinc/18/04/68/352180468.db2.gz XBMJHJRVMBCUHX-UHFFFAOYSA-N 1 2 321.381 1.028 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000491387946 234155228 /nfs/dbraw/zinc/15/52/28/234155228.db2.gz ROBJKDSIWLGWQF-CFHLNLSMSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000491387946 234155231 /nfs/dbraw/zinc/15/52/31/234155231.db2.gz ROBJKDSIWLGWQF-CFHLNLSMSA-N 1 2 319.361 1.445 20 5 DDBDLO O=C(C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)NC1CC1 ZINC000057128495 352799692 /nfs/dbraw/zinc/79/96/92/352799692.db2.gz PYCJRQSOGAKRMV-UHFFFAOYSA-N 1 2 322.340 1.135 20 5 DDBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000067523739 353053914 /nfs/dbraw/zinc/05/39/14/353053914.db2.gz ASJMZNUMIPDFKS-GXFFZTMASA-N 1 2 304.281 1.293 20 5 DDBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072980017 191263733 /nfs/dbraw/zinc/26/37/33/191263733.db2.gz UIHNAAVFNVPPOU-AWEZNQCLSA-N 1 2 321.377 1.941 20 5 DDBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072980017 191263736 /nfs/dbraw/zinc/26/37/36/191263736.db2.gz UIHNAAVFNVPPOU-AWEZNQCLSA-N 1 2 321.377 1.941 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000068780532 353130186 /nfs/dbraw/zinc/13/01/86/353130186.db2.gz OPXMJVLMWKPWNM-LLVKDONJSA-N 1 2 309.322 1.125 20 5 DDBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000126460315 354055348 /nfs/dbraw/zinc/05/53/48/354055348.db2.gz VCZHPNKDFNPCAP-AOUSDQRYSA-N 1 2 311.363 1.935 20 5 DDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000126460315 354055353 /nfs/dbraw/zinc/05/53/53/354055353.db2.gz VCZHPNKDFNPCAP-AOUSDQRYSA-N 1 2 311.363 1.935 20 5 DDBDLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000401712482 354665739 /nfs/dbraw/zinc/66/57/39/354665739.db2.gz JDZDDGCXWQGXPZ-OAHLLOKOSA-N 1 2 323.349 1.007 20 5 DDBDLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000401712482 354665742 /nfs/dbraw/zinc/66/57/42/354665742.db2.gz JDZDDGCXWQGXPZ-OAHLLOKOSA-N 1 2 323.349 1.007 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587035993 354878174 /nfs/dbraw/zinc/87/81/74/354878174.db2.gz DTAWKAALPFRYEN-VIFPVBQESA-N 1 2 301.306 1.118 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587045017 354879114 /nfs/dbraw/zinc/87/91/14/354879114.db2.gz HLBBSGRGFGATAV-JTQLQIEISA-N 1 2 316.317 1.545 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587061381 354880139 /nfs/dbraw/zinc/88/01/39/354880139.db2.gz ACXLOPHBPIKIBG-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO CN(C(=O)CN1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000590601277 355127164 /nfs/dbraw/zinc/12/71/64/355127164.db2.gz SBLQVJWLRKQVSG-UHFFFAOYSA-N 1 2 315.333 1.339 20 5 DDBDLO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC[NH2+]CC2 ZINC000591651771 355353772 /nfs/dbraw/zinc/35/37/72/355353772.db2.gz PKSCRRHVJWSIIO-NSHDSACASA-N 1 2 319.361 1.905 20 5 DDBDLO CCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592829298 355705989 /nfs/dbraw/zinc/70/59/89/355705989.db2.gz MYYJBHCGJULGBH-LLVKDONJSA-N 1 2 307.350 1.857 20 5 DDBDLO CCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592829298 355705991 /nfs/dbraw/zinc/70/59/91/355705991.db2.gz MYYJBHCGJULGBH-LLVKDONJSA-N 1 2 307.350 1.857 20 5 DDBDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593125649 355806931 /nfs/dbraw/zinc/80/69/31/355806931.db2.gz YOOUGMVWYKSKLQ-LLVKDONJSA-N 1 2 312.370 1.843 20 5 DDBDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593125649 355806934 /nfs/dbraw/zinc/80/69/34/355806934.db2.gz YOOUGMVWYKSKLQ-LLVKDONJSA-N 1 2 312.370 1.843 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593686205 355967854 /nfs/dbraw/zinc/96/78/54/355967854.db2.gz KLWSGSKOXZUNGX-GXTWGEPZSA-N 1 2 322.340 1.728 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000595036804 356375228 /nfs/dbraw/zinc/37/52/28/356375228.db2.gz WNLQUFIZLLKJRH-IINYFYTJSA-N 1 2 320.349 1.721 20 5 DDBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000595294402 356437179 /nfs/dbraw/zinc/43/71/79/356437179.db2.gz MFSSUXWPVQQUHO-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO Cc1noc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000595466322 356503878 /nfs/dbraw/zinc/50/38/78/356503878.db2.gz KPTQJDBHPOTTPF-AWEZNQCLSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000595466322 356503882 /nfs/dbraw/zinc/50/38/82/356503882.db2.gz KPTQJDBHPOTTPF-AWEZNQCLSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595474380 356507384 /nfs/dbraw/zinc/50/73/84/356507384.db2.gz DYWRQPBMIYIFKW-CYBMUJFWSA-N 1 2 324.381 1.435 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595474380 356507391 /nfs/dbraw/zinc/50/73/91/356507391.db2.gz DYWRQPBMIYIFKW-CYBMUJFWSA-N 1 2 324.381 1.435 20 5 DDBDLO Cc1noc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595503333 356521303 /nfs/dbraw/zinc/52/13/03/356521303.db2.gz ROXMRAJWFOYPGU-CYBMUJFWSA-N 1 2 305.334 1.927 20 5 DDBDLO Cc1noc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595503333 356521308 /nfs/dbraw/zinc/52/13/08/356521308.db2.gz ROXMRAJWFOYPGU-CYBMUJFWSA-N 1 2 305.334 1.927 20 5 DDBDLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595829952 356667483 /nfs/dbraw/zinc/66/74/83/356667483.db2.gz SDFDAEPMQHFKER-LBPRGKRZSA-N 1 2 319.361 1.745 20 5 DDBDLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595829952 356667485 /nfs/dbraw/zinc/66/74/85/356667485.db2.gz SDFDAEPMQHFKER-LBPRGKRZSA-N 1 2 319.361 1.745 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597998760 357414422 /nfs/dbraw/zinc/41/44/22/357414422.db2.gz QMJXMWMNAGHPMY-RYUDHWBXSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597998760 357414425 /nfs/dbraw/zinc/41/44/25/357414425.db2.gz QMJXMWMNAGHPMY-RYUDHWBXSA-N 1 2 307.350 1.434 20 5 DDBDLO COC[C@]1(CO)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599087562 357811413 /nfs/dbraw/zinc/81/14/13/357811413.db2.gz KOPKPNKESYTWPI-MRXNPFEDSA-N 1 2 317.345 1.978 20 5 DDBDLO CCOC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599619571 357994652 /nfs/dbraw/zinc/99/46/52/357994652.db2.gz OWKXWGKXELCDHU-HNNXBMFYSA-N 1 2 310.350 1.711 20 5 DDBDLO CCOC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599619571 357994655 /nfs/dbraw/zinc/99/46/55/357994655.db2.gz OWKXWGKXELCDHU-HNNXBMFYSA-N 1 2 310.350 1.711 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000599665585 358015712 /nfs/dbraw/zinc/01/57/12/358015712.db2.gz UIBHEHMPNNDKFI-LBPRGKRZSA-N 1 2 323.349 1.070 20 5 DDBDLO CCOc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000599665585 358015716 /nfs/dbraw/zinc/01/57/16/358015716.db2.gz UIBHEHMPNNDKFI-LBPRGKRZSA-N 1 2 323.349 1.070 20 5 DDBDLO COC[C@@]1(C)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000599692209 358028106 /nfs/dbraw/zinc/02/81/06/358028106.db2.gz IJUBRLVZZJUNKN-OAHLLOKOSA-N 1 2 310.350 1.841 20 5 DDBDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000599692209 358028109 /nfs/dbraw/zinc/02/81/09/358028109.db2.gz IJUBRLVZZJUNKN-OAHLLOKOSA-N 1 2 310.350 1.841 20 5 DDBDLO Cc1cc(NC(=O)NC[C@@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599767741 358053206 /nfs/dbraw/zinc/05/32/06/358053206.db2.gz HEDNHKYHEGKLTB-GFCCVEGCSA-N 1 2 308.338 1.355 20 5 DDBDLO Cc1cc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599767741 358053208 /nfs/dbraw/zinc/05/32/08/358053208.db2.gz HEDNHKYHEGKLTB-GFCCVEGCSA-N 1 2 308.338 1.355 20 5 DDBDLO C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000600417733 358214986 /nfs/dbraw/zinc/21/49/86/358214986.db2.gz AMSLCNYGYPIBTA-BXUZGUMPSA-N 1 2 307.350 1.145 20 5 DDBDLO C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000600417733 358214987 /nfs/dbraw/zinc/21/49/87/358214987.db2.gz AMSLCNYGYPIBTA-BXUZGUMPSA-N 1 2 307.350 1.145 20 5 DDBDLO CCOc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600426747 358217071 /nfs/dbraw/zinc/21/70/71/358217071.db2.gz SVMYSGSNBBBQID-LBPRGKRZSA-N 1 2 323.349 1.054 20 5 DDBDLO CCOc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600426747 358217074 /nfs/dbraw/zinc/21/70/74/358217074.db2.gz SVMYSGSNBBBQID-LBPRGKRZSA-N 1 2 323.349 1.054 20 5 DDBDLO O=[N+]([O-])c1cc(F)cnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000601099627 358402282 /nfs/dbraw/zinc/40/22/82/358402282.db2.gz BXCPTDNCUTXMBY-UHFFFAOYSA-N 1 2 303.297 1.851 20 5 DDBDLO Cc1nc(N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000601142243 358418603 /nfs/dbraw/zinc/41/86/03/358418603.db2.gz OSPXPRHJDUIDEJ-UHFFFAOYSA-N 1 2 318.312 1.554 20 5 DDBDLO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602632459 359086940 /nfs/dbraw/zinc/08/69/40/359086940.db2.gz JOHMOVNWBFGZJI-SCZZXKLOSA-N 1 2 322.287 1.464 20 5 DDBDLO Cn1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602632459 359086944 /nfs/dbraw/zinc/08/69/44/359086944.db2.gz JOHMOVNWBFGZJI-SCZZXKLOSA-N 1 2 322.287 1.464 20 5 DDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccns2)CC1 ZINC000602687275 359126194 /nfs/dbraw/zinc/12/61/94/359126194.db2.gz JNWZUBIBIPOMSG-UHFFFAOYSA-N 1 2 305.363 1.769 20 5 DDBDLO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000602729492 359153252 /nfs/dbraw/zinc/15/32/52/359153252.db2.gz ROVDYSAUDFLZGR-BONVTDFDSA-N 1 2 308.334 1.931 20 5 DDBDLO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000602729492 359153256 /nfs/dbraw/zinc/15/32/56/359153256.db2.gz ROVDYSAUDFLZGR-BONVTDFDSA-N 1 2 308.334 1.931 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000602902911 359282998 /nfs/dbraw/zinc/28/29/98/359282998.db2.gz OZUWJVWPLLOXDJ-LBPRGKRZSA-N 1 2 304.297 1.456 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000602902911 359283002 /nfs/dbraw/zinc/28/30/02/359283002.db2.gz OZUWJVWPLLOXDJ-LBPRGKRZSA-N 1 2 304.297 1.456 20 5 DDBDLO COc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000604528532 359760890 /nfs/dbraw/zinc/76/08/90/359760890.db2.gz PIVJNGMECWVTHJ-UHFFFAOYSA-N 1 2 318.333 1.897 20 5 DDBDLO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613959031 361640967 /nfs/dbraw/zinc/64/09/67/361640967.db2.gz YKCQBIPLLCTZQU-NSHDSACASA-N 1 2 307.350 1.905 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000194579904 201256005 /nfs/dbraw/zinc/25/60/05/201256005.db2.gz VEOJJQUUEUILLG-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000194579904 201256007 /nfs/dbraw/zinc/25/60/07/201256007.db2.gz VEOJJQUUEUILLG-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1=CC[N@H+](C)CC1 ZINC000274939634 296105236 /nfs/dbraw/zinc/10/52/36/296105236.db2.gz PGNKWGADMNFJPH-SNVBAGLBSA-N 1 2 305.334 1.681 20 5 DDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1=CC[N@@H+](C)CC1 ZINC000274939634 296105237 /nfs/dbraw/zinc/10/52/37/296105237.db2.gz PGNKWGADMNFJPH-SNVBAGLBSA-N 1 2 305.334 1.681 20 5 DDBDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000275248055 212223432 /nfs/dbraw/zinc/22/34/32/212223432.db2.gz OMCWVKUGHAYBLS-PHIMTYICSA-N 1 2 303.318 1.729 20 5 DDBDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000275248055 212223433 /nfs/dbraw/zinc/22/34/33/212223433.db2.gz OMCWVKUGHAYBLS-PHIMTYICSA-N 1 2 303.318 1.729 20 5 DDBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000351025832 284294922 /nfs/dbraw/zinc/29/49/22/284294922.db2.gz MFUHNYVXMOAXAH-JOYOIKCWSA-N 1 2 319.321 1.899 20 5 DDBDLO O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000351025832 284294924 /nfs/dbraw/zinc/29/49/24/284294924.db2.gz MFUHNYVXMOAXAH-JOYOIKCWSA-N 1 2 319.321 1.899 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000267520291 206119995 /nfs/dbraw/zinc/11/99/95/206119995.db2.gz FVTZEZQMQREXJH-BLLLJJGKSA-N 1 2 321.377 1.760 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](OC)C1 ZINC000267803556 206293254 /nfs/dbraw/zinc/29/32/54/206293254.db2.gz LGWIOZQPKFHKDJ-NSHDSACASA-N 1 2 309.322 1.263 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](OC)C1 ZINC000267803556 206293258 /nfs/dbraw/zinc/29/32/58/206293258.db2.gz LGWIOZQPKFHKDJ-NSHDSACASA-N 1 2 309.322 1.263 20 5 DDBDLO C[C@H]([C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000104774612 194037629 /nfs/dbraw/zinc/03/76/29/194037629.db2.gz BUKJINKKUWPHCK-NWDGAFQWSA-N 1 2 322.365 1.826 20 5 DDBDLO Cc1ccc(Cc2noc(CCn3cc([N+](=O)[O-])cn3)n2)c[nH+]1 ZINC000273951581 211207125 /nfs/dbraw/zinc/20/71/25/211207125.db2.gz OCVGOBVTOHBWQK-UHFFFAOYSA-N 1 2 314.305 1.711 20 5 DDBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000338767794 250128424 /nfs/dbraw/zinc/12/84/24/250128424.db2.gz HSMYCJWTVGZSAV-ZDUSSCGKSA-N 1 2 321.377 1.652 20 5 DDBDLO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159761299 197362327 /nfs/dbraw/zinc/36/23/27/197362327.db2.gz NIQGWEBYTZZXPW-UHFFFAOYSA-N 1 2 315.333 1.106 20 5 DDBDLO O=C(NCC[N@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159761299 197362331 /nfs/dbraw/zinc/36/23/31/197362331.db2.gz NIQGWEBYTZZXPW-UHFFFAOYSA-N 1 2 315.333 1.106 20 5 DDBDLO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339076617 250283742 /nfs/dbraw/zinc/28/37/42/250283742.db2.gz VIDCDINSKYXHJY-QWRGUYRKSA-N 1 2 313.379 1.308 20 5 DDBDLO Cc1cn2cc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)ccc2[nH+]1 ZINC000339265605 250378239 /nfs/dbraw/zinc/37/82/39/250378239.db2.gz UKQKDKYETFBEAS-UHFFFAOYSA-N 1 2 314.305 1.695 20 5 DDBDLO O=C(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000413219535 224156320 /nfs/dbraw/zinc/15/63/20/224156320.db2.gz DLFJEEQKEUEUFK-UHFFFAOYSA-N 1 2 316.317 1.414 20 5 DDBDLO COc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] ZINC000332531484 533563003 /nfs/dbraw/zinc/56/30/03/533563003.db2.gz GBOPIHQNAVQWJK-CYBMUJFWSA-N 1 2 307.350 1.120 20 5 DDBDLO COc1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] ZINC000332531484 533563008 /nfs/dbraw/zinc/56/30/08/533563008.db2.gz GBOPIHQNAVQWJK-CYBMUJFWSA-N 1 2 307.350 1.120 20 5 DDBDLO Cc1[nH]nc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000332003027 533660977 /nfs/dbraw/zinc/66/09/77/533660977.db2.gz ZZWXHIGSGSXSQF-UHFFFAOYSA-N 1 2 304.310 1.300 20 5 DDBDLO Cc1n[nH]c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000332003027 533660986 /nfs/dbraw/zinc/66/09/86/533660986.db2.gz ZZWXHIGSGSXSQF-UHFFFAOYSA-N 1 2 304.310 1.300 20 5 DDBDLO C[C@H]1C[NH+](CCn2cc(Cl)cc([N+](=O)[O-])c2=O)C[C@H](C)O1 ZINC000570698627 304420180 /nfs/dbraw/zinc/42/01/80/304420180.db2.gz HXTQIJCAUXDRSD-UWVGGRQHSA-N 1 2 315.757 1.519 20 5 DDBDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000102682961 286739158 /nfs/dbraw/zinc/73/91/58/286739158.db2.gz ZAZVMRNXXHEPOR-LBPRGKRZSA-N 1 2 306.366 1.194 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000048336759 407096347 /nfs/dbraw/zinc/09/63/47/407096347.db2.gz ZYXWTRDCROJWCH-VIFPVBQESA-N 1 2 311.367 1.437 20 5 DDBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000066498785 407253278 /nfs/dbraw/zinc/25/32/78/407253278.db2.gz NLJFMIUUSRECKP-AWEZNQCLSA-N 1 2 307.350 1.430 20 5 DDBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000066498785 407253280 /nfs/dbraw/zinc/25/32/80/407253280.db2.gz NLJFMIUUSRECKP-AWEZNQCLSA-N 1 2 307.350 1.430 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000109317491 407397064 /nfs/dbraw/zinc/39/70/64/407397064.db2.gz WXLQLERZUUFBAY-UHFFFAOYSA-N 1 2 320.393 1.550 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000111287695 407405990 /nfs/dbraw/zinc/40/59/90/407405990.db2.gz YFLHSXMZOITWPX-GFCCVEGCSA-N 1 2 321.377 1.935 20 5 DDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](O)C1 ZINC000114194123 407552455 /nfs/dbraw/zinc/55/24/55/407552455.db2.gz PEKFGDVYPJBFCH-SCZZXKLOSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](O)C1 ZINC000114194123 407552462 /nfs/dbraw/zinc/55/24/62/407552462.db2.gz PEKFGDVYPJBFCH-SCZZXKLOSA-N 1 2 313.741 1.642 20 5 DDBDLO Cc1c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000114858655 407628963 /nfs/dbraw/zinc/62/89/63/407628963.db2.gz HJDQLZLJTLORIO-ZDUSSCGKSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000114858655 407628968 /nfs/dbraw/zinc/62/89/68/407628968.db2.gz HJDQLZLJTLORIO-ZDUSSCGKSA-N 1 2 319.361 1.496 20 5 DDBDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000133390654 407838923 /nfs/dbraw/zinc/83/89/23/407838923.db2.gz SHIMSYHFUQHDMF-ZDUSSCGKSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000133390654 407838928 /nfs/dbraw/zinc/83/89/28/407838928.db2.gz SHIMSYHFUQHDMF-ZDUSSCGKSA-N 1 2 307.350 1.713 20 5 DDBDLO NC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182220708 408099615 /nfs/dbraw/zinc/09/96/15/408099615.db2.gz QMMFAQNAQYTTMH-UHFFFAOYSA-N 1 2 312.757 1.881 20 5 DDBDLO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000183553504 408439499 /nfs/dbraw/zinc/43/94/99/408439499.db2.gz HZZHFXRKLDHHBF-GHMZBOCLSA-N 1 2 323.353 1.221 20 5 DDBDLO Cc1cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000265235039 408586470 /nfs/dbraw/zinc/58/64/70/408586470.db2.gz RNKACRYQWLQJLS-LLVKDONJSA-N 1 2 324.362 1.467 20 5 DDBDLO O=C(NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184662425 408664744 /nfs/dbraw/zinc/66/47/44/408664744.db2.gz MPMPTEDYKHUOHN-UHFFFAOYSA-N 1 2 323.349 1.143 20 5 DDBDLO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286905161 409000600 /nfs/dbraw/zinc/00/06/00/409000600.db2.gz COQKFBNTQHFMGI-WCQYABFASA-N 1 2 319.361 1.999 20 5 DDBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282846947 409065970 /nfs/dbraw/zinc/06/59/70/409065970.db2.gz BAYCBQQSTMLKQN-GFCCVEGCSA-N 1 2 320.349 1.134 20 5 DDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282846947 409065973 /nfs/dbraw/zinc/06/59/73/409065973.db2.gz BAYCBQQSTMLKQN-GFCCVEGCSA-N 1 2 320.349 1.134 20 5 DDBDLO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000283292987 409130376 /nfs/dbraw/zinc/13/03/76/409130376.db2.gz MTMGFJSVEOBYQS-UHFFFAOYSA-N 1 2 321.333 1.561 20 5 DDBDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000283292987 409130378 /nfs/dbraw/zinc/13/03/78/409130378.db2.gz MTMGFJSVEOBYQS-UHFFFAOYSA-N 1 2 321.333 1.561 20 5 DDBDLO COc1cc(C[NH+]2CC3(C2)CCOC3)c([N+](=O)[O-])cc1OC ZINC000294139104 409247542 /nfs/dbraw/zinc/24/75/42/409247542.db2.gz UUPLCOJLMTWBDZ-UHFFFAOYSA-N 1 2 308.334 1.834 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284077349 409270980 /nfs/dbraw/zinc/27/09/80/409270980.db2.gz MHTYVXLXJGASDU-UONOGXRCSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284077349 409270984 /nfs/dbraw/zinc/27/09/84/409270984.db2.gz MHTYVXLXJGASDU-UONOGXRCSA-N 1 2 305.334 1.140 20 5 DDBDLO COC(=O)[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000284953587 409375687 /nfs/dbraw/zinc/37/56/87/409375687.db2.gz JHDNYUUOKURRAM-CQSZACIVSA-N 1 2 324.333 1.523 20 5 DDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285575537 409494109 /nfs/dbraw/zinc/49/41/09/409494109.db2.gz ANSPCTMCLRATIP-IUODEOHRSA-N 1 2 319.361 1.530 20 5 DDBDLO CN(C)c1[nH+]cccc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357322011 409974210 /nfs/dbraw/zinc/97/42/10/409974210.db2.gz ZZTMIFYQHLNZPE-UHFFFAOYSA-N 1 2 316.321 1.162 20 5 DDBDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355063260 410280618 /nfs/dbraw/zinc/28/06/18/410280618.db2.gz XMJSEFUZXIOVSW-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355063260 410280624 /nfs/dbraw/zinc/28/06/24/410280624.db2.gz XMJSEFUZXIOVSW-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000346993224 410295665 /nfs/dbraw/zinc/29/56/65/410295665.db2.gz IRDFXTRYNRDOCV-WDEREUQCSA-N 1 2 317.353 1.366 20 5 DDBDLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000346993224 410295673 /nfs/dbraw/zinc/29/56/73/410295673.db2.gz IRDFXTRYNRDOCV-WDEREUQCSA-N 1 2 317.353 1.366 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000299212073 410571644 /nfs/dbraw/zinc/57/16/44/410571644.db2.gz HLBIYDAIYVVPDH-SNVBAGLBSA-N 1 2 304.306 1.618 20 5 DDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cn2ccccc2[nH+]1 ZINC000301058853 410647271 /nfs/dbraw/zinc/64/72/71/410647271.db2.gz ANBXVGGNZMGLIB-UHFFFAOYSA-N 1 2 312.289 1.349 20 5 DDBDLO C[C@@H]1[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000355924337 410734623 /nfs/dbraw/zinc/73/46/23/410734623.db2.gz ZBDOFTHHXBSYOZ-BXKDBHETSA-N 1 2 317.349 1.684 20 5 DDBDLO C[C@@H]1[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000355924337 410734629 /nfs/dbraw/zinc/73/46/29/410734629.db2.gz ZBDOFTHHXBSYOZ-BXKDBHETSA-N 1 2 317.349 1.684 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)n1 ZINC000341341117 411013996 /nfs/dbraw/zinc/01/39/96/411013996.db2.gz FIGVJVCLWZAQTA-UHFFFAOYSA-N 1 2 317.305 1.695 20 5 DDBDLO O=C(NCc1ccncn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353527992 411047549 /nfs/dbraw/zinc/04/75/49/411047549.db2.gz FISXIVXBMJTIMB-UHFFFAOYSA-N 1 2 324.300 1.501 20 5 DDBDLO Cn1c[nH+]cc1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000353758559 411124862 /nfs/dbraw/zinc/12/48/62/411124862.db2.gz MFECHEBQMJBQJI-UHFFFAOYSA-N 1 2 313.111 1.301 20 5 DDBDLO C[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000132831559 196287590 /nfs/dbraw/zinc/28/75/90/196287590.db2.gz HMAZPBUKYUHKFJ-UHFFFAOYSA-N 1 2 315.333 1.168 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417397529 225314306 /nfs/dbraw/zinc/31/43/06/225314306.db2.gz GYNQGWLDMOAWQL-XPKDYRNWSA-N 1 2 316.361 1.921 20 5 DDBDLO Cc1nc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000297418940 227141898 /nfs/dbraw/zinc/14/18/98/227141898.db2.gz HBEZPTXBGNPYFX-GWCFXTLKSA-N 1 2 302.338 1.977 20 5 DDBDLO C[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000408351708 418799454 /nfs/dbraw/zinc/79/94/54/418799454.db2.gz HULLTCHHCRHOFN-QMMMGPOBSA-N 1 2 315.171 1.893 20 5 DDBDLO C[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000408351708 418799456 /nfs/dbraw/zinc/79/94/56/418799456.db2.gz HULLTCHHCRHOFN-QMMMGPOBSA-N 1 2 315.171 1.893 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373237231 418933391 /nfs/dbraw/zinc/93/33/91/418933391.db2.gz OZIWXFFOCMYAPB-ZDUSSCGKSA-N 1 2 320.349 1.155 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373237231 418933392 /nfs/dbraw/zinc/93/33/92/418933392.db2.gz OZIWXFFOCMYAPB-ZDUSSCGKSA-N 1 2 320.349 1.155 20 5 DDBDLO CC[C@]1(O)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000425919564 419367241 /nfs/dbraw/zinc/36/72/41/419367241.db2.gz NPHKBOFWQRXDEJ-HNNXBMFYSA-N 1 2 307.350 1.689 20 5 DDBDLO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000425919564 419367245 /nfs/dbraw/zinc/36/72/45/419367245.db2.gz NPHKBOFWQRXDEJ-HNNXBMFYSA-N 1 2 307.350 1.689 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)n(C)n1 ZINC000418084651 419519510 /nfs/dbraw/zinc/51/95/10/419519510.db2.gz QYYVLSLLIJUOAQ-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO Cc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000428360735 419855898 /nfs/dbraw/zinc/85/58/98/419855898.db2.gz SOEMXQWJZSZEEF-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO COc1cc(C(=O)N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000299618131 229268337 /nfs/dbraw/zinc/26/83/37/229268337.db2.gz PUVZCZSGKJAWSG-UHFFFAOYSA-N 1 2 304.306 1.609 20 5 DDBDLO CS(=O)(=O)CCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000425264628 420333572 /nfs/dbraw/zinc/33/35/72/420333572.db2.gz QBOGOBYEGWNPHG-UHFFFAOYSA-N 1 2 323.374 2.380 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449646915 421044735 /nfs/dbraw/zinc/04/47/35/421044735.db2.gz CNPQTRLMGFIQPM-JTQLQIEISA-N 1 2 313.304 1.878 20 5 DDBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000449650958 421045090 /nfs/dbraw/zinc/04/50/90/421045090.db2.gz MLUVKJHCCCLWOG-MRVPVSSYSA-N 1 2 317.267 1.709 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456217524 421124898 /nfs/dbraw/zinc/12/48/98/421124898.db2.gz PWHRFUAPZLAGGP-OKILXGFUSA-N 1 2 319.361 1.117 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456217524 421124902 /nfs/dbraw/zinc/12/49/02/421124902.db2.gz PWHRFUAPZLAGGP-OKILXGFUSA-N 1 2 319.361 1.117 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450541192 421208692 /nfs/dbraw/zinc/20/86/92/421208692.db2.gz ROULRQIQEKOIRL-LLVKDONJSA-N 1 2 308.338 1.287 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450541192 421208693 /nfs/dbraw/zinc/20/86/93/421208693.db2.gz ROULRQIQEKOIRL-LLVKDONJSA-N 1 2 308.338 1.287 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000560454440 421266257 /nfs/dbraw/zinc/26/62/57/421266257.db2.gz JCULRKUYILCXSZ-UHFFFAOYSA-N 1 2 309.370 1.608 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000560454440 421266259 /nfs/dbraw/zinc/26/62/59/421266259.db2.gz JCULRKUYILCXSZ-UHFFFAOYSA-N 1 2 309.370 1.608 20 5 DDBDLO Cn1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000538016696 421735441 /nfs/dbraw/zinc/73/54/41/421735441.db2.gz RZVHQOGFFXOEOJ-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000542043934 421817119 /nfs/dbraw/zinc/81/71/19/421817119.db2.gz XCOWTHFCUAMRLF-NSHDSACASA-N 1 2 323.349 1.514 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000542043934 421817121 /nfs/dbraw/zinc/81/71/21/421817121.db2.gz XCOWTHFCUAMRLF-NSHDSACASA-N 1 2 323.349 1.514 20 5 DDBDLO COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000543841292 421842024 /nfs/dbraw/zinc/84/20/24/421842024.db2.gz JARLUZGIACENIN-CQSZACIVSA-N 1 2 320.349 1.063 20 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299037519 /nfs/dbraw/zinc/03/75/19/299037519.db2.gz HZQPWHBNDBSDOH-JTQLQIEISA-N 1 2 318.308 1.673 20 5 DDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357972101 299037522 /nfs/dbraw/zinc/03/75/22/299037522.db2.gz HZQPWHBNDBSDOH-JTQLQIEISA-N 1 2 318.308 1.673 20 5 DDBDLO Cc1cc[nH+]c(C)c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000362395466 300051517 /nfs/dbraw/zinc/05/15/17/300051517.db2.gz JBUGXGIRIYFVIZ-UHFFFAOYSA-N 1 2 302.290 1.407 20 5 DDBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2[nH+]ccn2C1 ZINC000376939995 302123959 /nfs/dbraw/zinc/12/39/59/302123959.db2.gz DDVAPSWAFGAYPX-GFCCVEGCSA-N 1 2 300.318 1.670 20 5 DDBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nnc2n1CCC2 ZINC000530778342 303211531 /nfs/dbraw/zinc/21/15/31/303211531.db2.gz SNVOTKSXUKROQZ-UHFFFAOYSA-N 1 2 317.349 1.643 20 5 DDBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nnc2n1CCC2 ZINC000530778342 303211532 /nfs/dbraw/zinc/21/15/32/303211532.db2.gz SNVOTKSXUKROQZ-UHFFFAOYSA-N 1 2 317.349 1.643 20 5 DDBDLO CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365310543 307064305 /nfs/dbraw/zinc/06/43/05/307064305.db2.gz VOZFQNFXQNKQDQ-GFCCVEGCSA-N 1 2 319.369 1.801 20 5 DDBDLO CC(C)n1ncnc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365310543 307064306 /nfs/dbraw/zinc/06/43/06/307064306.db2.gz VOZFQNFXQNKQDQ-GFCCVEGCSA-N 1 2 319.369 1.801 20 5 DDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083305 307085102 /nfs/dbraw/zinc/08/51/02/307085102.db2.gz FGVGLSSWUOFIAM-OAHLLOKOSA-N 1 2 312.329 1.777 20 5 DDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374379383 307206755 /nfs/dbraw/zinc/20/67/55/307206755.db2.gz WFOMLISWVAKUSE-LBPRGKRZSA-N 1 2 318.358 1.838 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000374665235 307211282 /nfs/dbraw/zinc/21/12/82/307211282.db2.gz UQYCGOXABFRVHS-UHFFFAOYSA-N 1 2 316.317 1.764 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425358136 307302628 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COC(=O)/C(C)=C\C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746494191 700027298 /nfs/dbraw/zinc/02/72/98/700027298.db2.gz QPMOCOSENPMEMX-QPEQYQDCSA-N 1 2 319.361 1.836 20 5 DDBDLO CCOCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000092885141 696597808 /nfs/dbraw/zinc/59/78/08/696597808.db2.gz LHEBSWXLIOXARP-UHFFFAOYSA-N 1 2 305.338 1.779 20 5 DDBDLO CCOCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000092885141 696597809 /nfs/dbraw/zinc/59/78/09/696597809.db2.gz LHEBSWXLIOXARP-UHFFFAOYSA-N 1 2 305.338 1.779 20 5 DDBDLO COCc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000109598525 696638265 /nfs/dbraw/zinc/63/82/65/696638265.db2.gz FVBGGNCDZRCAED-UHFFFAOYSA-N 1 2 301.262 1.977 20 5 DDBDLO COC(=O)/C(C)=C\C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000748813605 700135918 /nfs/dbraw/zinc/13/59/18/700135918.db2.gz NYSYNGMOZRRYRC-MLPAPPSSSA-N 1 2 319.361 1.836 20 5 DDBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc[nH+]1 ZINC000792016243 699670423 /nfs/dbraw/zinc/67/04/23/699670423.db2.gz LIRPQLDIXNILEH-UHFFFAOYSA-N 1 2 306.253 1.650 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000743355129 699908432 /nfs/dbraw/zinc/90/84/32/699908432.db2.gz GAMOPUYQQQNVAD-UHFFFAOYSA-N 1 2 317.353 1.166 20 5 DDBDLO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759830298 700775893 /nfs/dbraw/zinc/77/58/93/700775893.db2.gz FCWJMNNVOOHSIB-ZFWWWQNUSA-N 1 2 308.334 1.656 20 5 DDBDLO COC(=O)[C@]1(C)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759830298 700775895 /nfs/dbraw/zinc/77/58/95/700775895.db2.gz FCWJMNNVOOHSIB-ZFWWWQNUSA-N 1 2 308.334 1.656 20 5 DDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000763114740 700926349 /nfs/dbraw/zinc/92/63/49/700926349.db2.gz UWUXKRZLBAFDBC-UHFFFAOYSA-N 1 2 304.306 1.714 20 5 DDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763334351 700934437 /nfs/dbraw/zinc/93/44/37/700934437.db2.gz WCQHOCLHTNJGRI-NSHDSACASA-N 1 2 315.329 1.880 20 5 DDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763334351 700934438 /nfs/dbraw/zinc/93/44/38/700934438.db2.gz WCQHOCLHTNJGRI-NSHDSACASA-N 1 2 315.329 1.880 20 5 DDBDLO CC(=O)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846951477 703356471 /nfs/dbraw/zinc/35/64/71/703356471.db2.gz UZVJQBRTZDKOMT-UHFFFAOYSA-N 1 2 319.361 1.859 20 5 DDBDLO O=C(NCC[NH+]1CCC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586634 703566175 /nfs/dbraw/zinc/56/61/75/703566175.db2.gz XIJMPYGIDBKECU-UHFFFAOYSA-N 1 2 315.276 1.388 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1[N+](=O)[O-] ZINC000851767449 703849499 /nfs/dbraw/zinc/84/94/99/703849499.db2.gz FBSFQIJDQDZXKT-GFCCVEGCSA-N 1 2 322.365 1.868 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1[N+](=O)[O-] ZINC000851767449 703849501 /nfs/dbraw/zinc/84/95/01/703849501.db2.gz FBSFQIJDQDZXKT-GFCCVEGCSA-N 1 2 322.365 1.868 20 5 DDBDLO C[C@@H]1COC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000853190292 704214323 /nfs/dbraw/zinc/21/43/23/704214323.db2.gz IZEILAATDGSBOC-QMTHXVAHSA-N 1 2 317.301 1.972 20 5 DDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1F ZINC000854419431 704394392 /nfs/dbraw/zinc/39/43/92/704394392.db2.gz QENOIQGCWDRTHM-VIFPVBQESA-N 1 2 304.281 1.675 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(N)c([N+](=O)[O-])c1 ZINC000857983523 704655728 /nfs/dbraw/zinc/65/57/28/704655728.db2.gz BEQNDKWVWLKJLK-JTQLQIEISA-N 1 2 301.306 1.557 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000822365247 704929820 /nfs/dbraw/zinc/92/98/20/704929820.db2.gz QZBGUNUBIPTIRC-UHFFFAOYSA-N 1 2 320.324 1.759 20 5 DDBDLO COC[C@@]1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000860201068 705129329 /nfs/dbraw/zinc/12/93/29/705129329.db2.gz HXIZBTRBZNGOBB-LSDHHAIUSA-N 1 2 310.350 1.366 20 5 DDBDLO COC[C@@]1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000860201068 705129333 /nfs/dbraw/zinc/12/93/33/705129333.db2.gz HXIZBTRBZNGOBB-LSDHHAIUSA-N 1 2 310.350 1.366 20 5 DDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000874699818 705133643 /nfs/dbraw/zinc/13/36/43/705133643.db2.gz VFRYQDRUYIBJJL-ZDUSSCGKSA-N 1 2 307.350 1.435 20 5 DDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000874699818 705133645 /nfs/dbraw/zinc/13/36/45/705133645.db2.gz VFRYQDRUYIBJJL-ZDUSSCGKSA-N 1 2 307.350 1.435 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000826566973 705816671 /nfs/dbraw/zinc/81/66/71/705816671.db2.gz ADXMPLUWHJLJHW-CYBMUJFWSA-N 1 2 305.334 1.053 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000826566973 705816672 /nfs/dbraw/zinc/81/66/72/705816672.db2.gz ADXMPLUWHJLJHW-CYBMUJFWSA-N 1 2 305.334 1.053 20 5 DDBDLO CC(C)(CNC(=O)Cc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000898899148 708915096 /nfs/dbraw/zinc/91/50/96/708915096.db2.gz INAAQOLCBGJTAI-UHFFFAOYSA-N 1 2 302.334 1.885 20 5 DDBDLO C/C(=C/C(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000900287870 709522164 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COC(=O)[C@H](CC(C)C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836688 359227445 /nfs/dbraw/zinc/22/74/45/359227445.db2.gz QTRHLPJTFORJPN-LBPRGKRZSA-N 1 2 312.370 1.619 20 5 DDBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836688 359227448 /nfs/dbraw/zinc/22/74/48/359227448.db2.gz QTRHLPJTFORJPN-LBPRGKRZSA-N 1 2 312.370 1.619 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000602857696 359243182 /nfs/dbraw/zinc/24/31/82/359243182.db2.gz XXNDYVGQHFJHTO-GARJFASQSA-N 1 2 309.370 1.039 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000602857696 359243187 /nfs/dbraw/zinc/24/31/87/359243187.db2.gz XXNDYVGQHFJHTO-GARJFASQSA-N 1 2 309.370 1.039 20 5 DDBDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000602876925 359259982 /nfs/dbraw/zinc/25/99/82/359259982.db2.gz CPGJBFFFZPNRQO-CYBMUJFWSA-N 1 2 318.333 1.165 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000602903945 359284395 /nfs/dbraw/zinc/28/43/95/359284395.db2.gz TXDYOPWNQBLLJV-ZANVPECISA-N 1 2 318.324 1.844 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000602903945 359284398 /nfs/dbraw/zinc/28/43/98/359284398.db2.gz TXDYOPWNQBLLJV-ZANVPECISA-N 1 2 318.324 1.844 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(C[N@H+](C)CCO)nn1 ZINC000603251102 359515678 /nfs/dbraw/zinc/51/56/78/359515678.db2.gz HXWMSPOJZZQFHI-LBPRGKRZSA-N 1 2 319.365 1.528 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(C[N@@H+](C)CCO)nn1 ZINC000603251102 359515681 /nfs/dbraw/zinc/51/56/81/359515681.db2.gz HXWMSPOJZZQFHI-LBPRGKRZSA-N 1 2 319.365 1.528 20 5 DDBDLO O=[N+]([O-])c1ncccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000609132339 360262481 /nfs/dbraw/zinc/26/24/81/360262481.db2.gz HDZWVKKLYAEVTN-UHFFFAOYSA-N 1 2 318.337 1.262 20 5 DDBDLO C[C@@H]1C[N@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609450804 360309661 /nfs/dbraw/zinc/30/96/61/360309661.db2.gz TXKLTQYSKDBECO-SNVBAGLBSA-N 1 2 313.379 1.139 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609450804 360309663 /nfs/dbraw/zinc/30/96/63/360309663.db2.gz TXKLTQYSKDBECO-SNVBAGLBSA-N 1 2 313.379 1.139 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000612411658 361002793 /nfs/dbraw/zinc/00/27/93/361002793.db2.gz UVJJLEUVGXZDOJ-UHFFFAOYSA-N 1 2 320.374 1.779 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC=C(Br)C2)n1 ZINC000281574223 216393297 /nfs/dbraw/zinc/39/32/97/216393297.db2.gz FGMMUEOLHQHSLK-UHFFFAOYSA-N 1 2 301.144 1.776 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC=C(Br)C2)n1 ZINC000281574223 216393300 /nfs/dbraw/zinc/39/33/00/216393300.db2.gz FGMMUEOLHQHSLK-UHFFFAOYSA-N 1 2 301.144 1.776 20 5 DDBDLO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000093137507 193207372 /nfs/dbraw/zinc/20/73/72/193207372.db2.gz HSZDCMWJQGSBMZ-PZBABLGHSA-N 1 2 307.350 1.430 20 5 DDBDLO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000093137507 193207374 /nfs/dbraw/zinc/20/73/74/193207374.db2.gz HSZDCMWJQGSBMZ-PZBABLGHSA-N 1 2 307.350 1.430 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000350828758 284267373 /nfs/dbraw/zinc/26/73/73/284267373.db2.gz LYARQSMGGIJBCZ-UHFFFAOYSA-N 1 2 316.321 1.315 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000350828758 284267379 /nfs/dbraw/zinc/26/73/79/284267379.db2.gz LYARQSMGGIJBCZ-UHFFFAOYSA-N 1 2 316.321 1.315 20 5 DDBDLO CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000336861380 249270486 /nfs/dbraw/zinc/27/04/86/249270486.db2.gz ZVEXKOICQNMJOR-JTQLQIEISA-N 1 2 304.306 1.964 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000110918860 194368321 /nfs/dbraw/zinc/36/83/21/194368321.db2.gz AWIYUCFNRSSQLC-UHFFFAOYSA-N 1 2 321.377 1.698 20 5 DDBDLO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158018512 197236515 /nfs/dbraw/zinc/23/65/15/197236515.db2.gz GHMCDFNLTWMIHI-MFKMUULPSA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158018512 197236517 /nfs/dbraw/zinc/23/65/17/197236517.db2.gz GHMCDFNLTWMIHI-MFKMUULPSA-N 1 2 307.350 1.713 20 5 DDBDLO COCCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444684002 533173567 /nfs/dbraw/zinc/17/35/67/533173567.db2.gz HNNPVJMFNNRAFG-GFCCVEGCSA-N 1 2 320.349 1.708 20 5 DDBDLO COCCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444684002 533173570 /nfs/dbraw/zinc/17/35/70/533173570.db2.gz HNNPVJMFNNRAFG-GFCCVEGCSA-N 1 2 320.349 1.708 20 5 DDBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](CO)O1 ZINC000413255243 224162905 /nfs/dbraw/zinc/16/29/05/224162905.db2.gz HBENVBFETSKXHT-ZWNOBZJWSA-N 1 2 303.318 1.729 20 5 DDBDLO O=[N+]([O-])c1cccnc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000413407316 224190747 /nfs/dbraw/zinc/19/07/47/224190747.db2.gz RRPVQBYMHUBWHY-UHFFFAOYSA-N 1 2 322.365 1.283 20 5 DDBDLO Cc1cc(N)nc(SCCn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000121872004 195365866 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O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179760300 407829101 /nfs/dbraw/zinc/82/91/01/407829101.db2.gz NTSZRTVMTOGZCE-UHFFFAOYSA-N 1 2 311.301 1.839 20 5 DDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1=CC[N@H+](C)CC1 ZINC000273035512 408027150 /nfs/dbraw/zinc/02/71/50/408027150.db2.gz VLZGJMDJFMOYEX-SNVBAGLBSA-N 1 2 305.334 1.681 20 5 DDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1=CC[N@@H+](C)CC1 ZINC000273035512 408027158 /nfs/dbraw/zinc/02/71/58/408027158.db2.gz VLZGJMDJFMOYEX-SNVBAGLBSA-N 1 2 305.334 1.681 20 5 DDBDLO Cc1cc(C(=O)N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000263886337 408301655 /nfs/dbraw/zinc/30/16/55/408301655.db2.gz SBMJEWZSARWSNN-UHFFFAOYSA-N 1 2 307.350 1.307 20 5 DDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000274241624 408337106 /nfs/dbraw/zinc/33/71/06/408337106.db2.gz QULVJJGHWYTFGJ-NSHDSACASA-N 1 2 310.379 1.692 20 5 DDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000274241624 408337109 /nfs/dbraw/zinc/33/71/09/408337109.db2.gz QULVJJGHWYTFGJ-NSHDSACASA-N 1 2 310.379 1.692 20 5 DDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000264181844 408392560 /nfs/dbraw/zinc/39/25/60/408392560.db2.gz BHITURQCBSGZDZ-NEPJUHHUSA-N 1 2 307.350 1.434 20 5 DDBDLO COc1ccc(OCC[NH2+][C@H](C)c2ncn(C)n2)c([N+](=O)[O-])c1 ZINC000275637596 408630480 /nfs/dbraw/zinc/63/04/80/408630480.db2.gz VVBQQYAUAHKPGL-SNVBAGLBSA-N 1 2 321.337 1.462 20 5 DDBDLO Cc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000187226066 163009957 /nfs/dbraw/zinc/00/99/57/163009957.db2.gz ZNKDXLAKIQGITA-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO Cn1c[nH+]cc1CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189356306 163096192 /nfs/dbraw/zinc/09/61/92/163096192.db2.gz RSVRDBYPWDGDBT-UHFFFAOYSA-N 1 2 314.305 1.776 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000192567150 163227831 /nfs/dbraw/zinc/22/78/31/163227831.db2.gz WTFKETQUXVAXLR-PWSUYJOCSA-N 1 2 311.386 1.641 20 5 DDBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1[nH+]cnc2c1cnn2C ZINC000282193875 409008016 /nfs/dbraw/zinc/00/80/16/409008016.db2.gz HLGZXWMOEGLUCZ-UHFFFAOYSA-N 1 2 312.333 1.950 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000294748338 409297935 /nfs/dbraw/zinc/29/79/35/409297935.db2.gz CVOGJSOUCMSDOD-KWCYVHTRSA-N 1 2 302.334 1.531 20 5 DDBDLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284056784 409266165 /nfs/dbraw/zinc/26/61/65/409266165.db2.gz LGLOGDUECCWOEN-HUUCEWRRSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284056784 409266168 /nfs/dbraw/zinc/26/61/68/409266168.db2.gz LGLOGDUECCWOEN-HUUCEWRRSA-N 1 2 319.361 1.448 20 5 DDBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263888 409403929 /nfs/dbraw/zinc/40/39/29/409403929.db2.gz HGFPPSGRNABMTI-SNVBAGLBSA-N 1 2 322.296 1.790 20 5 DDBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263888 409403934 /nfs/dbraw/zinc/40/39/34/409403934.db2.gz HGFPPSGRNABMTI-SNVBAGLBSA-N 1 2 322.296 1.790 20 5 DDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408075845 164220219 /nfs/dbraw/zinc/22/02/19/164220219.db2.gz ZYLWWTSLUVZGDQ-NXEZZACHSA-N 1 2 317.349 1.636 20 5 DDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408075845 164220220 /nfs/dbraw/zinc/22/02/20/164220220.db2.gz ZYLWWTSLUVZGDQ-NXEZZACHSA-N 1 2 317.349 1.636 20 5 DDBDLO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000297030018 409767761 /nfs/dbraw/zinc/76/77/61/409767761.db2.gz RZSGWIUQYIHJTK-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H](C)C1 ZINC000332282850 410037784 /nfs/dbraw/zinc/03/77/84/410037784.db2.gz DUIHMBQYLGYEBK-NWDGAFQWSA-N 1 2 307.350 1.890 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](C)C1 ZINC000332282850 410037790 /nfs/dbraw/zinc/03/77/90/410037790.db2.gz DUIHMBQYLGYEBK-NWDGAFQWSA-N 1 2 307.350 1.890 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCNC1=O ZINC000339058966 410058924 /nfs/dbraw/zinc/05/89/24/410058924.db2.gz KYYOKOVIJQLKNO-LLVKDONJSA-N 1 2 317.267 1.934 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCNC1=O ZINC000339058966 410058928 /nfs/dbraw/zinc/05/89/28/410058928.db2.gz KYYOKOVIJQLKNO-LLVKDONJSA-N 1 2 317.267 1.934 20 5 DDBDLO CCc1c[nH+]ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000357579292 410115515 /nfs/dbraw/zinc/11/55/15/410115515.db2.gz FJRAWQFEQROMIB-UHFFFAOYSA-N 1 2 301.302 1.992 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)CC(F)(F)F)CC2 ZINC000332697311 410217784 /nfs/dbraw/zinc/21/77/84/410217784.db2.gz SVNYIARIJQBYFF-JTQLQIEISA-N 1 2 305.256 1.661 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)CC(F)(F)F)CC2 ZINC000332697311 410217788 /nfs/dbraw/zinc/21/77/88/410217788.db2.gz SVNYIARIJQBYFF-JTQLQIEISA-N 1 2 305.256 1.661 20 5 DDBDLO Cc1[nH]c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2[nH+]1 ZINC000347022070 410315993 /nfs/dbraw/zinc/31/59/93/410315993.db2.gz OPMYHHSGGJYRGK-UHFFFAOYSA-N 1 2 300.278 1.765 20 5 DDBDLO COc1cc(C(=O)NCc2c[nH+]cn2C)cc([N+](=O)[O-])c1OC ZINC000355264248 410407098 /nfs/dbraw/zinc/40/70/98/410407098.db2.gz JJERPJZBZPLQLO-UHFFFAOYSA-N 1 2 320.305 1.276 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2[C@H](CO)CC[C@H]2CO)c(F)c1 ZINC000347315710 410465097 /nfs/dbraw/zinc/46/50/97/410465097.db2.gz RGAPQXLUIOHDLC-IUCAKERBSA-N 1 2 302.277 1.191 20 5 DDBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000301061886 410646694 /nfs/dbraw/zinc/64/66/94/410646694.db2.gz AYNMOEWYFOOCKR-UHFFFAOYSA-N 1 2 321.293 1.612 20 5 DDBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000337428078 410776598 /nfs/dbraw/zinc/77/65/98/410776598.db2.gz XSTVJCZTLQQCCK-CQSZACIVSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000337428078 410776609 /nfs/dbraw/zinc/77/66/09/410776609.db2.gz XSTVJCZTLQQCCK-CQSZACIVSA-N 1 2 312.391 1.994 20 5 DDBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000348213056 410856546 /nfs/dbraw/zinc/85/65/46/410856546.db2.gz VMRMLSCCLNFYMF-AWEZNQCLSA-N 1 2 321.333 1.465 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+]CCN1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353649618 411098958 /nfs/dbraw/zinc/09/89/58/411098958.db2.gz YJWKPGVHERFRHF-HNNXBMFYSA-N 1 2 315.377 1.713 20 5 DDBDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000132252250 196239321 /nfs/dbraw/zinc/23/93/21/196239321.db2.gz XEWCAGHVXXPHCF-SNVBAGLBSA-N 1 2 318.333 1.871 20 5 DDBDLO CN1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CCN2C1=O ZINC000366996355 418549553 /nfs/dbraw/zinc/54/95/53/418549553.db2.gz NTSGXEMBFSOFNG-LLVKDONJSA-N 1 2 308.313 1.286 20 5 DDBDLO CN1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CCN2C1=O ZINC000366996355 418549556 /nfs/dbraw/zinc/54/95/56/418549556.db2.gz NTSGXEMBFSOFNG-LLVKDONJSA-N 1 2 308.313 1.286 20 5 DDBDLO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000364748146 418808623 /nfs/dbraw/zinc/80/86/23/418808623.db2.gz JEUAYTCIUOLKFU-QMMMGPOBSA-N 1 2 322.271 1.814 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428056810 419804016 /nfs/dbraw/zinc/80/40/16/419804016.db2.gz HRYHRNVVDUPZNA-AWEZNQCLSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428056810 419804020 /nfs/dbraw/zinc/80/40/20/419804020.db2.gz HRYHRNVVDUPZNA-AWEZNQCLSA-N 1 2 321.377 1.744 20 5 DDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428366150 419853173 /nfs/dbraw/zinc/85/31/73/419853173.db2.gz GAJRYTLVTRHVES-SNVBAGLBSA-N 1 2 302.290 1.242 20 5 DDBDLO CC(C)([NH2+]Cc1nnc2n1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000429245664 419992093 /nfs/dbraw/zinc/99/20/93/419992093.db2.gz KTIOINWRLVOXSQ-UHFFFAOYSA-N 1 2 317.349 1.741 20 5 DDBDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429130180 419973140 /nfs/dbraw/zinc/97/31/40/419973140.db2.gz REFOETASPSCYSB-UHFFFAOYSA-N 1 2 308.338 1.039 20 5 DDBDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429130180 419973144 /nfs/dbraw/zinc/97/31/44/419973144.db2.gz REFOETASPSCYSB-UHFFFAOYSA-N 1 2 308.338 1.039 20 5 DDBDLO CCC1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)(C(=O)OC)CC1 ZINC000440926947 420618625 /nfs/dbraw/zinc/61/86/25/420618625.db2.gz IZIQZGJORVJWRR-UHFFFAOYSA-N 1 2 324.381 1.893 20 5 DDBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000456215404 421124179 /nfs/dbraw/zinc/12/41/79/421124179.db2.gz KXFREVHWKNZJPU-ZYHUDNBSSA-N 1 2 318.333 1.670 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456439606 421167564 /nfs/dbraw/zinc/16/75/64/421167564.db2.gz YAGICIVAPZWSHR-UFBFGSQYSA-N 1 2 302.290 1.933 20 5 DDBDLO COc1nccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000562649307 421392145 /nfs/dbraw/zinc/39/21/45/421392145.db2.gz PEFOUYYFZMGWNA-UHFFFAOYSA-N 1 2 300.318 1.952 20 5 DDBDLO COc1nccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000562649307 421392148 /nfs/dbraw/zinc/39/21/48/421392148.db2.gz PEFOUYYFZMGWNA-UHFFFAOYSA-N 1 2 300.318 1.952 20 5 DDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000553544123 421619955 /nfs/dbraw/zinc/61/99/55/421619955.db2.gz IIZXFVISUIFSBJ-ZDUSSCGKSA-N 1 2 314.345 1.713 20 5 DDBDLO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000575369155 422293815 /nfs/dbraw/zinc/29/38/15/422293815.db2.gz DHRXCJGWAFCPLI-SSDOTTSWSA-N 1 2 300.278 1.685 20 5 DDBDLO CCN1CC[NH+]([C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000106479484 276386818 /nfs/dbraw/zinc/38/68/18/276386818.db2.gz PHKMNBAUCMERIT-CQSZACIVSA-N 1 2 304.394 1.811 20 5 DDBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000265100424 295179706 /nfs/dbraw/zinc/17/97/06/295179706.db2.gz DSTCHOFTQMINBJ-JSGCOSHPSA-N 1 2 305.334 1.447 20 5 DDBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000265100424 295179709 /nfs/dbraw/zinc/17/97/09/295179709.db2.gz DSTCHOFTQMINBJ-JSGCOSHPSA-N 1 2 305.334 1.447 20 5 DDBDLO O=C(NCCCNc1cccc[nH+]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356596443 298827214 /nfs/dbraw/zinc/82/72/14/298827214.db2.gz NZGXEAAHALXCCS-UHFFFAOYSA-N 1 2 316.317 1.927 20 5 DDBDLO CCOC(=O)c1ccnc(N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000531578245 303250514 /nfs/dbraw/zinc/25/05/14/303250514.db2.gz RLNAATUJNBEWLJ-UHFFFAOYSA-N 1 2 317.305 1.424 20 5 DDBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])cn3)cn21 ZINC000532138648 303276478 /nfs/dbraw/zinc/27/64/78/303276478.db2.gz DSKZASRPMGYRMC-UHFFFAOYSA-N 1 2 311.301 1.876 20 5 DDBDLO Cn1c[nH+]cc1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535785596 303352938 /nfs/dbraw/zinc/35/29/38/303352938.db2.gz GNYQOJFAZSSWOK-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000539314134 303394618 /nfs/dbraw/zinc/39/46/18/303394618.db2.gz YTGJYMLPCGUSKW-UHFFFAOYSA-N 1 2 303.322 1.670 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000542982332 303452466 /nfs/dbraw/zinc/45/24/66/303452466.db2.gz IUNQRUJPZNJERD-UHFFFAOYSA-N 1 2 308.319 1.037 20 5 DDBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1 ZINC000033384759 303522418 /nfs/dbraw/zinc/52/24/18/303522418.db2.gz LTASYXQLEPMGKY-UTCJRWHESA-N 1 2 305.334 1.056 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000367555703 307097450 /nfs/dbraw/zinc/09/74/50/307097450.db2.gz BZYOAKFLRMALRL-GFCCVEGCSA-N 1 2 315.333 1.245 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000367555703 307097451 /nfs/dbraw/zinc/09/74/51/307097451.db2.gz BZYOAKFLRMALRL-GFCCVEGCSA-N 1 2 315.333 1.245 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368948273 307113429 /nfs/dbraw/zinc/11/34/29/307113429.db2.gz BXPZREAROXCVQF-XEGUGMAKSA-N 1 2 319.361 1.689 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368948273 307113430 /nfs/dbraw/zinc/11/34/30/307113430.db2.gz BXPZREAROXCVQF-XEGUGMAKSA-N 1 2 319.361 1.689 20 5 DDBDLO Cn1c[nH+]c2c1CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000370744395 307135151 /nfs/dbraw/zinc/13/51/51/307135151.db2.gz FDZOZIXUGFUQIZ-AATRIKPKSA-N 1 2 312.329 1.926 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)CCn1cc([N+](=O)[O-])nc1C)CC2 ZINC000371707461 307156664 /nfs/dbraw/zinc/15/66/64/307156664.db2.gz ONENAHQYTZXDMI-UHFFFAOYSA-N 1 2 318.337 1.037 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccc1[N+](=O)[O-] ZINC000377224778 307266502 /nfs/dbraw/zinc/26/65/02/307266502.db2.gz VNKVMVDYAFOEFI-TZMCWYRMSA-N 1 2 319.361 1.704 20 5 DDBDLO CCOc1cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccc1[N+](=O)[O-] ZINC000377224778 307266503 /nfs/dbraw/zinc/26/65/03/307266503.db2.gz VNKVMVDYAFOEFI-TZMCWYRMSA-N 1 2 319.361 1.704 20 5 DDBDLO CNc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000548638588 307781638 /nfs/dbraw/zinc/78/16/38/307781638.db2.gz LFPYBCARUPYQNN-NSHDSACASA-N 1 2 315.333 1.578 20 5 DDBDLO Cc1nn(CCC(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000557047923 307862507 /nfs/dbraw/zinc/86/25/07/307862507.db2.gz POJGIOIMNCDYOT-SECBINFHSA-N 1 2 306.326 1.399 20 5 DDBDLO Cc1c(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1C ZINC000566954196 308067007 /nfs/dbraw/zinc/06/70/07/308067007.db2.gz SZVHGWVYOCYOCZ-UHFFFAOYSA-N 1 2 317.349 1.368 20 5 DDBDLO Cc1c(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1C ZINC000566954196 308067008 /nfs/dbraw/zinc/06/70/08/308067008.db2.gz SZVHGWVYOCYOCZ-UHFFFAOYSA-N 1 2 317.349 1.368 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000572958320 308229101 /nfs/dbraw/zinc/22/91/01/308229101.db2.gz UGWLLVPYOQNAOX-LLVKDONJSA-N 1 2 319.361 1.837 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000572958320 308229102 /nfs/dbraw/zinc/22/91/02/308229102.db2.gz UGWLLVPYOQNAOX-LLVKDONJSA-N 1 2 319.361 1.837 20 5 DDBDLO CC(=O)NCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000575178548 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1.048 20 5 DDBDLO Cn1c[nH+]cc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000388518100 325772097 /nfs/dbraw/zinc/77/20/97/325772097.db2.gz VIWSEPPEHULELP-UHFFFAOYSA-N 1 2 300.278 1.589 20 5 DDBDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490100802 484226401 /nfs/dbraw/zinc/22/64/01/484226401.db2.gz QECFFZZYVOPOLL-LBPRGKRZSA-N 1 2 323.349 1.271 20 5 DDBDLO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490100802 484226408 /nfs/dbraw/zinc/22/64/08/484226408.db2.gz QECFFZZYVOPOLL-LBPRGKRZSA-N 1 2 323.349 1.271 20 5 DDBDLO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000265529210 525773865 /nfs/dbraw/zinc/77/38/65/525773865.db2.gz NEVVJMNLMLDXRR-UWVGGRQHSA-N 1 2 314.773 1.535 20 5 DDBDLO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000265529210 525773869 /nfs/dbraw/zinc/77/38/69/525773869.db2.gz NEVVJMNLMLDXRR-UWVGGRQHSA-N 1 2 314.773 1.535 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000823634515 599410832 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CC(C)(C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000047983019 352518830 /nfs/dbraw/zinc/51/88/30/352518830.db2.gz GAGCNPICDADNFR-UHFFFAOYSA-N 1 2 321.381 1.027 20 5 DDBDLO CN(C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000064141779 352931085 /nfs/dbraw/zinc/93/10/85/352931085.db2.gz RWTBGFNQVLTOCG-UHFFFAOYSA-N 1 2 318.377 1.338 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000065732725 352960533 /nfs/dbraw/zinc/96/05/33/352960533.db2.gz HWSHWHNWXSFOJF-UHFFFAOYSA-N 1 2 304.310 1.199 20 5 DDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601280727 358476384 /nfs/dbraw/zinc/47/63/84/358476384.db2.gz IIGDHGLGKFTZFJ-UHFFFAOYSA-N 1 2 319.408 1.291 20 5 DDBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)c[nH+]1 ZINC000076799703 353438553 /nfs/dbraw/zinc/43/85/53/353438553.db2.gz GIVFNLKGYCGBDY-UHFFFAOYSA-N 1 2 317.353 1.820 20 5 DDBDLO C[C@H](CO)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000120621817 354013164 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ZINC000602866032 359250110 /nfs/dbraw/zinc/25/01/10/359250110.db2.gz MPDVKXCMYWJTQK-UHFFFAOYSA-N 1 2 302.338 1.031 20 5 DDBDLO Cn1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000602903582 359284636 /nfs/dbraw/zinc/28/46/36/359284636.db2.gz FRQKBLVXMXHRIY-LBPRGKRZSA-N 1 2 312.276 1.430 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602904211 359284032 /nfs/dbraw/zinc/28/40/32/359284032.db2.gz CEMROPDVIQWYHA-ZDUSSCGKSA-N 1 2 303.322 1.087 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602904211 359284036 /nfs/dbraw/zinc/28/40/36/359284036.db2.gz CEMROPDVIQWYHA-ZDUSSCGKSA-N 1 2 303.322 1.087 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604481337 359754805 /nfs/dbraw/zinc/75/48/05/359754805.db2.gz GNMZBOVZGNOLHM-UHFFFAOYSA-N 1 2 314.345 1.679 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3cccnc3[N+](=O)[O-])CC2)cn1 ZINC000609258481 360278752 /nfs/dbraw/zinc/27/87/52/360278752.db2.gz YOVLXDWQHXGNFN-UHFFFAOYSA-N 1 2 302.338 1.046 20 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250283458 /nfs/dbraw/zinc/28/34/58/250283458.db2.gz VIDCDINSKYXHJY-GHMZBOCLSA-N 1 2 313.379 1.308 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285219570 218338681 /nfs/dbraw/zinc/33/86/81/218338681.db2.gz FESQGPXKGGDRGJ-HZPDHXFCSA-N 1 2 322.361 1.510 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285219570 218338682 /nfs/dbraw/zinc/33/86/82/218338682.db2.gz FESQGPXKGGDRGJ-HZPDHXFCSA-N 1 2 322.361 1.510 20 5 DDBDLO CN(C)C(=O)NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413223166 224156838 /nfs/dbraw/zinc/15/68/38/224156838.db2.gz WXNYWUWXINNQLN-UHFFFAOYSA-N 1 2 303.322 1.826 20 5 DDBDLO CCOCC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709420 285245067 /nfs/dbraw/zinc/24/50/67/285245067.db2.gz LLVFNOFOAZVLNK-CQSZACIVSA-N 1 2 310.350 1.577 20 5 DDBDLO CCOCC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709420 285245072 /nfs/dbraw/zinc/24/50/72/285245072.db2.gz LLVFNOFOAZVLNK-CQSZACIVSA-N 1 2 310.350 1.577 20 5 DDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289509232 221028765 /nfs/dbraw/zinc/02/87/65/221028765.db2.gz KRJMUSKSXCYLPP-UHFFFAOYSA-N 1 2 322.346 1.137 20 5 DDBDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000152212914 407586187 /nfs/dbraw/zinc/58/61/87/407586187.db2.gz TYVAEMMEWSBDHP-ZIAGYGMSSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000152212914 407586194 /nfs/dbraw/zinc/58/61/94/407586194.db2.gz TYVAEMMEWSBDHP-ZIAGYGMSSA-N 1 2 305.334 1.058 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266869430 407655459 /nfs/dbraw/zinc/65/54/59/407655459.db2.gz OVNYCSULCPCDMX-LBPRGKRZSA-N 1 2 320.393 1.537 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000266869430 407655465 /nfs/dbraw/zinc/65/54/65/407655465.db2.gz OVNYCSULCPCDMX-LBPRGKRZSA-N 1 2 320.393 1.537 20 5 DDBDLO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000271733681 407727733 /nfs/dbraw/zinc/72/77/33/407727733.db2.gz NKUQIELSBYOZEH-SECBINFHSA-N 1 2 317.342 1.106 20 5 DDBDLO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000271733681 407727737 /nfs/dbraw/zinc/72/77/37/407727737.db2.gz NKUQIELSBYOZEH-SECBINFHSA-N 1 2 317.342 1.106 20 5 DDBDLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179123511 407727700 /nfs/dbraw/zinc/72/77/00/407727700.db2.gz FZCWSMFJJBTITO-NSHDSACASA-N 1 2 321.333 1.561 20 5 DDBDLO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179123511 407727705 /nfs/dbraw/zinc/72/77/05/407727705.db2.gz FZCWSMFJJBTITO-NSHDSACASA-N 1 2 321.333 1.561 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000153097279 407754817 /nfs/dbraw/zinc/75/48/17/407754817.db2.gz HRLPPNHEZOAPKQ-LLVKDONJSA-N 1 2 323.349 1.389 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000153097279 407754825 /nfs/dbraw/zinc/75/48/25/407754825.db2.gz HRLPPNHEZOAPKQ-LLVKDONJSA-N 1 2 323.349 1.389 20 5 DDBDLO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000117293050 407824014 /nfs/dbraw/zinc/82/40/14/407824014.db2.gz IANUAFOHTDVZOZ-LLVKDONJSA-N 1 2 322.365 1.091 20 5 DDBDLO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000117293050 407824015 /nfs/dbraw/zinc/82/40/15/407824015.db2.gz IANUAFOHTDVZOZ-LLVKDONJSA-N 1 2 322.365 1.091 20 5 DDBDLO Cc1nn(C)c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000268291371 407987033 /nfs/dbraw/zinc/98/70/33/407987033.db2.gz UVBXXKSLHYUDRZ-PWSUYJOCSA-N 1 2 304.354 1.921 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000245522408 408006082 /nfs/dbraw/zinc/00/60/82/408006082.db2.gz LUKOUFRAVVRBRW-UHIISALHSA-N 1 2 307.350 1.539 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000245522408 408006086 /nfs/dbraw/zinc/00/60/86/408006086.db2.gz LUKOUFRAVVRBRW-UHIISALHSA-N 1 2 307.350 1.539 20 5 DDBDLO COC(=O)c1cnc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190168771 408179355 /nfs/dbraw/zinc/17/93/55/408179355.db2.gz HGDQNNIDURRNNH-SNVBAGLBSA-N 1 2 319.321 1.721 20 5 DDBDLO CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182796226 408251847 /nfs/dbraw/zinc/25/18/47/408251847.db2.gz CETPXJMUJMCJPK-IUODEOHRSA-N 1 2 321.377 1.801 20 5 DDBDLO CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182796226 408251856 /nfs/dbraw/zinc/25/18/56/408251856.db2.gz CETPXJMUJMCJPK-IUODEOHRSA-N 1 2 321.377 1.801 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2ccc[nH+]c2N2CCOCC2)nc1 ZINC000273659688 408278753 /nfs/dbraw/zinc/27/87/53/408278753.db2.gz VVMAGDKWJIIFPB-UHFFFAOYSA-N 1 2 316.321 1.229 20 5 DDBDLO CN(CC[NH+]1CCOCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000263996679 408339454 /nfs/dbraw/zinc/33/94/54/408339454.db2.gz FNALWZVSCMADQZ-UHFFFAOYSA-N 1 2 311.367 1.072 20 5 DDBDLO Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000264172519 408389370 /nfs/dbraw/zinc/38/93/70/408389370.db2.gz ACGKAAKWCBAZMK-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO CC(C)NC(=O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176990274 408492459 /nfs/dbraw/zinc/49/24/59/408492459.db2.gz VFUTZPQMQWWAHE-UHFFFAOYSA-N 1 2 306.322 1.692 20 5 DDBDLO CC(C)NC(=O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176990274 408492462 /nfs/dbraw/zinc/49/24/62/408492462.db2.gz VFUTZPQMQWWAHE-UHFFFAOYSA-N 1 2 306.322 1.692 20 5 DDBDLO O=C(C[N@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265486412 408667845 /nfs/dbraw/zinc/66/78/45/408667845.db2.gz MQFZFMSYBYUZTH-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265486412 408667850 /nfs/dbraw/zinc/66/78/50/408667850.db2.gz MQFZFMSYBYUZTH-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO CCC1(CC)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000185223566 408782739 /nfs/dbraw/zinc/78/27/39/408782739.db2.gz OYRQRNTYOVOHAB-NRFANRHFSA-N 1 2 314.411 1.414 20 5 DDBDLO CCC1(CC)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000185223566 408782741 /nfs/dbraw/zinc/78/27/41/408782741.db2.gz OYRQRNTYOVOHAB-NRFANRHFSA-N 1 2 314.411 1.414 20 5 DDBDLO NC(=O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000191488995 163188277 /nfs/dbraw/zinc/18/82/77/163188277.db2.gz PIHLJGLUEOHPAQ-UHFFFAOYSA-N 1 2 318.358 1.826 20 5 DDBDLO CO[C@H]1COC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290156669 409311539 /nfs/dbraw/zinc/31/15/39/409311539.db2.gz OFJFRSCYHPRNGB-KBPBESRZSA-N 1 2 319.317 1.753 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+](C(C)C)C2COC2)c([N+](=O)[O-])c1 ZINC000295552997 409343005 /nfs/dbraw/zinc/34/30/05/409343005.db2.gz XEJUHCFSLSRULN-UHFFFAOYSA-N 1 2 323.349 1.651 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+](C(C)C)C2COC2)c([N+](=O)[O-])c1 ZINC000295552997 409343011 /nfs/dbraw/zinc/34/30/11/409343011.db2.gz XEJUHCFSLSRULN-UHFFFAOYSA-N 1 2 323.349 1.651 20 5 DDBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCOCC1 ZINC000285475667 409458557 /nfs/dbraw/zinc/45/85/57/409458557.db2.gz ZWBUYFUVVRDBTK-UHFFFAOYSA-N 1 2 316.304 1.846 20 5 DDBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCOCC1 ZINC000285475667 409458562 /nfs/dbraw/zinc/45/85/62/409458562.db2.gz ZWBUYFUVVRDBTK-UHFFFAOYSA-N 1 2 316.304 1.846 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296183944 409455076 /nfs/dbraw/zinc/45/50/76/409455076.db2.gz LUQFTWHZQDBMHB-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296183944 409455080 /nfs/dbraw/zinc/45/50/80/409455080.db2.gz LUQFTWHZQDBMHB-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000290594976 409455562 /nfs/dbraw/zinc/45/55/62/409455562.db2.gz XZZWZQWHACRVEI-VIFPVBQESA-N 1 2 304.310 1.033 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374373474 164172268 /nfs/dbraw/zinc/17/22/68/164172268.db2.gz IDBJKOMBIUIKSA-OAHLLOKOSA-N 1 2 312.329 1.777 20 5 DDBDLO CO[C@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285578186 409494078 /nfs/dbraw/zinc/49/40/78/409494078.db2.gz IAXKWHKZVZEZOB-LLVKDONJSA-N 1 2 316.379 1.335 20 5 DDBDLO CO[C@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285578186 409494081 /nfs/dbraw/zinc/49/40/81/409494081.db2.gz IAXKWHKZVZEZOB-LLVKDONJSA-N 1 2 316.379 1.335 20 5 DDBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339191823 410069051 /nfs/dbraw/zinc/06/90/51/410069051.db2.gz ASNIXAZYIOXFNM-TZMCWYRMSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339191823 410069057 /nfs/dbraw/zinc/06/90/57/410069057.db2.gz ASNIXAZYIOXFNM-TZMCWYRMSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@@H](O)CNc1cc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000298262792 410157852 /nfs/dbraw/zinc/15/78/52/410157852.db2.gz ONYJCLBMEHYTMU-LLVKDONJSA-N 1 2 317.349 1.832 20 5 DDBDLO C[C@@H](O)CNc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000298262792 410157858 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1.299 20 5 DDBDLO COc1c(C(=O)N(C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000355530265 410564636 /nfs/dbraw/zinc/56/46/36/410564636.db2.gz AQTKEKVXHIUVCJ-UHFFFAOYSA-N 1 2 323.349 1.008 20 5 DDBDLO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cn1cc[nH+]c1 ZINC000301140062 410663378 /nfs/dbraw/zinc/66/33/78/410663378.db2.gz AFUUKQKSQPLKPA-SECBINFHSA-N 1 2 304.310 1.033 20 5 DDBDLO CC1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337241244 410669913 /nfs/dbraw/zinc/66/99/13/410669913.db2.gz FWHDKOIAVMRSLN-UHFFFAOYSA-N 1 2 320.349 1.134 20 5 DDBDLO CC1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337241244 410669918 /nfs/dbraw/zinc/66/99/18/410669918.db2.gz FWHDKOIAVMRSLN-UHFFFAOYSA-N 1 2 320.349 1.134 20 5 DDBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000301341329 410700725 /nfs/dbraw/zinc/70/07/25/410700725.db2.gz IPMKRLSUKCQJJJ-JTQLQIEISA-N 1 2 313.329 1.875 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000347705607 410680538 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ZINC000541688834 307692414 /nfs/dbraw/zinc/69/24/14/307692414.db2.gz AQVBXBWXJBGIAA-SECBINFHSA-N 1 2 319.321 1.884 20 5 DDBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000541688837 307692417 /nfs/dbraw/zinc/69/24/17/307692417.db2.gz AQVBXBWXJBGIAA-VIFPVBQESA-N 1 2 319.321 1.884 20 5 DDBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000576716206 308334865 /nfs/dbraw/zinc/33/48/65/308334865.db2.gz SLWVSCOHXSWAAU-NSHDSACASA-N 1 2 302.334 1.855 20 5 DDBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000576716206 308334867 /nfs/dbraw/zinc/33/48/67/308334867.db2.gz SLWVSCOHXSWAAU-NSHDSACASA-N 1 2 302.334 1.855 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000494814255 534340233 /nfs/dbraw/zinc/34/02/33/534340233.db2.gz ZUNAJRWUKZKISM-JTQLQIEISA-N 1 2 318.337 1.321 20 5 DDBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444698991 528009328 /nfs/dbraw/zinc/00/93/28/528009328.db2.gz DMTVWRCBEPZRKT-GFCCVEGCSA-N 1 2 322.365 1.689 20 5 DDBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444698991 528009337 /nfs/dbraw/zinc/00/93/37/528009337.db2.gz DMTVWRCBEPZRKT-GFCCVEGCSA-N 1 2 322.365 1.689 20 5 DDBDLO CCOC(=O)N(C)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000491115158 528937529 /nfs/dbraw/zinc/93/75/29/528937529.db2.gz MXZIXJNORZHZEN-UHFFFAOYSA-N 1 2 311.342 1.302 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000176209496 697403178 /nfs/dbraw/zinc/40/31/78/697403178.db2.gz QSEXIGMGAHTTHY-CQSZACIVSA-N 1 2 324.381 1.799 20 5 DDBDLO Cc1n[nH]c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000729339456 699476822 /nfs/dbraw/zinc/47/68/22/699476822.db2.gz XVTIVJYYXUBEKK-JTQLQIEISA-N 1 2 320.353 1.668 20 5 DDBDLO Cc1n[nH]c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000729339458 699476873 /nfs/dbraw/zinc/47/68/73/699476873.db2.gz XVTIVJYYXUBEKK-SNVBAGLBSA-N 1 2 320.353 1.668 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000791052469 699609024 /nfs/dbraw/zinc/60/90/24/699609024.db2.gz OGFTZUOPVWSSPZ-OAHLLOKOSA-N 1 2 307.394 1.486 20 5 DDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000792876436 699720425 /nfs/dbraw/zinc/72/04/25/699720425.db2.gz NAZJDURTIIFZSJ-ZDUSSCGKSA-N 1 2 311.294 1.086 20 5 DDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000792876436 699720427 /nfs/dbraw/zinc/72/04/27/699720427.db2.gz NAZJDURTIIFZSJ-ZDUSSCGKSA-N 1 2 311.294 1.086 20 5 DDBDLO C[C@H]1C[C@H](C)[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000740858477 699803024 /nfs/dbraw/zinc/80/30/24/699803024.db2.gz FMXBKMCICFLDOS-UWVGGRQHSA-N 1 2 303.318 1.879 20 5 DDBDLO C[C@H]1C[C@H](C)[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000740858477 699803025 /nfs/dbraw/zinc/80/30/25/699803025.db2.gz FMXBKMCICFLDOS-UWVGGRQHSA-N 1 2 303.318 1.879 20 5 DDBDLO O=C(NCc1ncccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000771822010 701333119 /nfs/dbraw/zinc/33/31/19/701333119.db2.gz IDIRJFLNLDMQQO-UHFFFAOYSA-N 1 2 324.300 1.501 20 5 DDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000840107335 701971977 /nfs/dbraw/zinc/97/19/77/701971977.db2.gz FZGIRQIGANGTTP-LBPRGKRZSA-N 1 2 323.397 1.671 20 5 DDBDLO Cc1nn(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000840107335 701971978 /nfs/dbraw/zinc/97/19/78/701971978.db2.gz FZGIRQIGANGTTP-LBPRGKRZSA-N 1 2 323.397 1.671 20 5 DDBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814048914 702470067 /nfs/dbraw/zinc/47/00/67/702470067.db2.gz OFRDSVKJZCPUSB-SSDOTTSWSA-N 1 2 313.260 1.831 20 5 DDBDLO COCC[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843192101 702838174 /nfs/dbraw/zinc/83/81/74/702838174.db2.gz QKDAXWHOWNBYKV-UHFFFAOYSA-N 1 2 322.321 1.313 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)c1ccccn1)CC2 ZINC000851907250 703881539 /nfs/dbraw/zinc/88/15/39/703881539.db2.gz FEKYIQPRIPKGJW-OAHLLOKOSA-N 1 2 300.318 1.477 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)c1ccccn1)CC2 ZINC000851907250 703881543 /nfs/dbraw/zinc/88/15/43/703881543.db2.gz FEKYIQPRIPKGJW-OAHLLOKOSA-N 1 2 300.318 1.477 20 5 DDBDLO COC(=O)C[C@]1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCCOC1 ZINC000851946945 703888055 /nfs/dbraw/zinc/88/80/55/703888055.db2.gz MXMWIQLMOLRBSN-CYBMUJFWSA-N 1 2 313.310 1.093 20 5 DDBDLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000857977568 704653631 /nfs/dbraw/zinc/65/36/31/704653631.db2.gz FLSQMWIKACPCAM-WCQYABFASA-N 1 2 302.290 1.086 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000877499554 706124217 /nfs/dbraw/zinc/12/42/17/706124217.db2.gz IBKDJXJQUKHBMQ-GFCCVEGCSA-N 1 2 312.391 1.831 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000877499554 706124218 /nfs/dbraw/zinc/12/42/18/706124218.db2.gz IBKDJXJQUKHBMQ-GFCCVEGCSA-N 1 2 312.391 1.831 20 5 DDBDLO Cc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000864404568 706158371 /nfs/dbraw/zinc/15/83/71/706158371.db2.gz GPWJFJKMXKLASO-NSCUHMNNSA-N 1 2 305.334 1.730 20 5 DDBDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000877773709 706205227 /nfs/dbraw/zinc/20/52/27/706205227.db2.gz VSOUUEFICBKEDM-UHFFFAOYSA-N 1 2 323.397 1.409 20 5 DDBDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000877773709 706205228 /nfs/dbraw/zinc/20/52/28/706205228.db2.gz VSOUUEFICBKEDM-UHFFFAOYSA-N 1 2 323.397 1.409 20 5 DDBDLO C[C@H]1C[N@H+](CCO)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000829578195 706360187 /nfs/dbraw/zinc/36/01/87/706360187.db2.gz WSUDPDYKIAERJR-VIFPVBQESA-N 1 2 301.293 1.376 20 5 DDBDLO C[C@H]1C[N@@H+](CCO)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000829578195 706360189 /nfs/dbraw/zinc/36/01/89/706360189.db2.gz WSUDPDYKIAERJR-VIFPVBQESA-N 1 2 301.293 1.376 20 5 DDBDLO COC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835158869 707184961 /nfs/dbraw/zinc/18/49/61/707184961.db2.gz QSHJRXRGOLEGMM-JTQLQIEISA-N 1 2 305.290 1.972 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000897455754 708336002 /nfs/dbraw/zinc/33/60/02/708336002.db2.gz RUCFEFIYVGQNHB-GFCCVEGCSA-N 1 2 321.377 1.350 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000897455754 708336003 /nfs/dbraw/zinc/33/60/03/708336003.db2.gz RUCFEFIYVGQNHB-GFCCVEGCSA-N 1 2 321.377 1.350 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000886303957 708738862 /nfs/dbraw/zinc/73/88/62/708738862.db2.gz JYORKKLLSUPPQY-HUUCEWRRSA-N 1 2 315.329 1.614 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000886303957 708738863 /nfs/dbraw/zinc/73/88/63/708738863.db2.gz JYORKKLLSUPPQY-HUUCEWRRSA-N 1 2 315.329 1.614 20 5 DDBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892545637 710455588 /nfs/dbraw/zinc/45/55/88/710455588.db2.gz PCRUQKAGLRWYLV-GFCCVEGCSA-N 1 2 316.365 1.607 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000928634539 713242907 /nfs/dbraw/zinc/24/29/07/713242907.db2.gz FLBSYZQDLBYMBH-CQSZACIVSA-N 1 2 321.377 1.744 20 5 DDBDLO COC(=O)c1ccc(N2CC[N@H+](CC[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000929431298 713609057 /nfs/dbraw/zinc/60/90/57/713609057.db2.gz XQXFCWHBAJNEOB-GFCCVEGCSA-N 1 2 307.350 1.260 20 5 DDBDLO COC(=O)c1ccc(N2CC[N@@H+](CC[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000929431298 713609059 /nfs/dbraw/zinc/60/90/59/713609059.db2.gz XQXFCWHBAJNEOB-GFCCVEGCSA-N 1 2 307.350 1.260 20 5 DDBDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025684956 736820024 /nfs/dbraw/zinc/82/00/24/736820024.db2.gz BHCFACWNEXCYTJ-PJXYFTJBSA-N 1 2 309.391 1.859 20 5 DDBDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025684956 736820027 /nfs/dbraw/zinc/82/00/27/736820027.db2.gz BHCFACWNEXCYTJ-PJXYFTJBSA-N 1 2 309.391 1.859 20 5 DDBDLO C[C@H]([C@H](C)O)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001190324799 745182230 /nfs/dbraw/zinc/18/22/30/745182230.db2.gz 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ZINC001225892646 882096726 /nfs/dbraw/zinc/09/67/26/882096726.db2.gz FSMOKROOLQHPKT-SECBINFHSA-N 1 2 321.255 1.718 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225892646 882096743 /nfs/dbraw/zinc/09/67/43/882096743.db2.gz FSMOKROOLQHPKT-SECBINFHSA-N 1 2 321.255 1.718 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302094067 871042028 /nfs/dbraw/zinc/04/20/28/871042028.db2.gz MNZFEPMMNVEYDJ-UHFFFAOYSA-N 1 2 301.306 1.109 20 5 DDBDLO C[N@@H+]1CCO[C@H](COc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245735 882929680 /nfs/dbraw/zinc/92/96/80/882929680.db2.gz AZGGOOZBRNUZMN-QMMMGPOBSA-N 1 2 321.255 1.718 20 5 DDBDLO C[N@H+]1CCO[C@H](COc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245735 882929689 /nfs/dbraw/zinc/92/96/89/882929689.db2.gz AZGGOOZBRNUZMN-QMMMGPOBSA-N 1 2 321.255 1.718 20 5 DDBDLO C[N@@H+]1CCO[C@@H](COc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056995 885170595 /nfs/dbraw/zinc/17/05/95/885170595.db2.gz WBOZJQMUZSMDIU-SNVBAGLBSA-N 1 2 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C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc2n1CCOC2 ZINC000282512916 217053350 /nfs/dbraw/zinc/05/33/50/217053350.db2.gz SFNHSHHQEZEAJE-UHFFFAOYSA-N 1 2 317.349 1.391 20 5 DDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135574224 248291319 /nfs/dbraw/zinc/29/13/19/248291319.db2.gz DGNRIKKOWNPYAC-GFCCVEGCSA-N 1 2 323.324 1.327 20 5 DDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135574224 248291324 /nfs/dbraw/zinc/29/13/24/248291324.db2.gz DGNRIKKOWNPYAC-GFCCVEGCSA-N 1 2 323.324 1.327 20 5 DDBDLO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153711092 248300134 /nfs/dbraw/zinc/30/01/34/248300134.db2.gz HVIXFUFRUQKGEA-GFCCVEGCSA-N 1 2 302.334 1.786 20 5 DDBDLO Cc1cccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000104594512 194018097 /nfs/dbraw/zinc/01/80/97/194018097.db2.gz DAXRTDIPNNHAJZ-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCO)C1CC1 ZINC000268877264 207046171 /nfs/dbraw/zinc/04/61/71/207046171.db2.gz UMMWWGCWGVRXTH-UHFFFAOYSA-N 1 2 316.317 1.377 20 5 DDBDLO CC(C)C(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269670059 207744752 /nfs/dbraw/zinc/74/47/52/207744752.db2.gz AFAHTCNLXDPITQ-HNNXBMFYSA-N 1 2 321.377 1.428 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494318622 533219931 /nfs/dbraw/zinc/21/99/31/533219931.db2.gz RVJZFOZEINBCEY-CYBMUJFWSA-N 1 2 321.333 1.630 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494318622 533219937 /nfs/dbraw/zinc/21/99/37/533219937.db2.gz RVJZFOZEINBCEY-CYBMUJFWSA-N 1 2 321.333 1.630 20 5 DDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074389729 406911055 /nfs/dbraw/zinc/91/10/55/406911055.db2.gz BTFCOWZAONFRMG-UHFFFAOYSA-N 1 2 321.377 1.778 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539649 406949117 /nfs/dbraw/zinc/94/91/17/406949117.db2.gz GNIYCPNJIHCMFY-NSHDSACASA-N 1 2 317.349 1.787 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539649 406949118 /nfs/dbraw/zinc/94/91/18/406949118.db2.gz GNIYCPNJIHCMFY-NSHDSACASA-N 1 2 317.349 1.787 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087117001 407118322 /nfs/dbraw/zinc/11/83/22/407118322.db2.gz WQEYHQPWVQVOLF-CYBMUJFWSA-N 1 2 321.377 1.364 20 5 DDBDLO O=C(NCCCn1cc[nH+]c1)NCc1cccc([N+](=O)[O-])c1 ZINC000067004161 407265718 /nfs/dbraw/zinc/26/57/18/407265718.db2.gz QPORKJCTVRIIMY-UHFFFAOYSA-N 1 2 303.322 1.681 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000170688435 407478690 /nfs/dbraw/zinc/47/86/90/407478690.db2.gz RZYQNGOKCMPAED-GFCCVEGCSA-N 1 2 323.349 1.653 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000170688435 407478696 /nfs/dbraw/zinc/47/86/96/407478696.db2.gz RZYQNGOKCMPAED-GFCCVEGCSA-N 1 2 323.349 1.653 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000170911088 407551180 /nfs/dbraw/zinc/55/11/80/407551180.db2.gz KMVAQKCVZAMVCW-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000170911088 407551188 /nfs/dbraw/zinc/55/11/88/407551188.db2.gz KMVAQKCVZAMVCW-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861937 407535085 /nfs/dbraw/zinc/53/50/85/407535085.db2.gz MPBOMKRJDJCMMU-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861937 407535092 /nfs/dbraw/zinc/53/50/92/407535092.db2.gz MPBOMKRJDJCMMU-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179123523 407728911 /nfs/dbraw/zinc/72/89/11/407728911.db2.gz FZCWSMFJJBTITO-LLVKDONJSA-N 1 2 321.333 1.561 20 5 DDBDLO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179123523 407728915 /nfs/dbraw/zinc/72/89/15/407728915.db2.gz FZCWSMFJJBTITO-LLVKDONJSA-N 1 2 321.333 1.561 20 5 DDBDLO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCSCC1 ZINC000179174868 407744334 /nfs/dbraw/zinc/74/43/34/407744334.db2.gz UUJYOWIHKOJOCB-NSHDSACASA-N 1 2 321.402 1.921 20 5 DDBDLO COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000267239132 407804468 /nfs/dbraw/zinc/80/44/68/407804468.db2.gz XHEVDDRNLBUUAD-UHFFFAOYSA-N 1 2 323.349 1.095 20 5 DDBDLO COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000267239132 407804474 /nfs/dbraw/zinc/80/44/74/407804474.db2.gz XHEVDDRNLBUUAD-UHFFFAOYSA-N 1 2 323.349 1.095 20 5 DDBDLO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000153570565 407853498 /nfs/dbraw/zinc/85/34/98/407853498.db2.gz ZDOWFXDYBGEPGJ-LBPRGKRZSA-N 1 2 318.333 1.623 20 5 DDBDLO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000153646839 407868727 /nfs/dbraw/zinc/86/87/27/407868727.db2.gz XGYCSKCYILSJOW-ZDUSSCGKSA-N 1 2 310.350 1.284 20 5 DDBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000187344539 407845731 /nfs/dbraw/zinc/84/57/31/407845731.db2.gz UINGDKFJECEFMV-MRXNPFEDSA-N 1 2 321.377 1.964 20 5 DDBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000187344539 407845736 /nfs/dbraw/zinc/84/57/36/407845736.db2.gz UINGDKFJECEFMV-MRXNPFEDSA-N 1 2 321.377 1.964 20 5 DDBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000272596001 408000597 /nfs/dbraw/zinc/00/05/97/408000597.db2.gz GQYPDYUGROHULY-SNVBAGLBSA-N 1 2 322.325 1.160 20 5 DDBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000272596001 408000602 /nfs/dbraw/zinc/00/06/02/408000602.db2.gz GQYPDYUGROHULY-SNVBAGLBSA-N 1 2 322.325 1.160 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000136210109 408088776 /nfs/dbraw/zinc/08/87/76/408088776.db2.gz DFVZOFXWVSJNBK-UHFFFAOYSA-N 1 2 315.333 1.925 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000155030726 408117322 /nfs/dbraw/zinc/11/73/22/408117322.db2.gz MWFBMKSSKHRQBW-UHFFFAOYSA-N 1 2 318.333 1.719 20 5 DDBDLO Cc1ccc(C(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000263896130 408303998 /nfs/dbraw/zinc/30/39/98/408303998.db2.gz WMQYLWUMEQLGLZ-UHFFFAOYSA-N 1 2 307.350 1.307 20 5 DDBDLO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000264338961 408452385 /nfs/dbraw/zinc/45/23/85/408452385.db2.gz YDKPRLNUKQAACI-GHMZBOCLSA-N 1 2 322.365 1.215 20 5 DDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000184076661 408544048 /nfs/dbraw/zinc/54/40/48/408544048.db2.gz IYSHBFAJVCVQMS-UHFFFAOYSA-N 1 2 324.362 1.301 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265634492 408723364 /nfs/dbraw/zinc/72/33/64/408723364.db2.gz HAJWLSQTNZJVSS-GWCFXTLKSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265634492 408723369 /nfs/dbraw/zinc/72/33/69/408723369.db2.gz HAJWLSQTNZJVSS-GWCFXTLKSA-N 1 2 320.349 1.084 20 5 DDBDLO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000277390017 408932437 /nfs/dbraw/zinc/93/24/37/408932437.db2.gz XFWRYJZRMWUNSJ-LLVKDONJSA-N 1 2 307.350 1.857 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277511477 408954942 /nfs/dbraw/zinc/95/49/42/408954942.db2.gz UJQAYZXADGPFSU-UHFFFAOYSA-N 1 2 307.350 1.880 20 5 DDBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000281989727 408967507 /nfs/dbraw/zinc/96/75/07/408967507.db2.gz NGVOAPYGZWRLFL-SNVBAGLBSA-N 1 2 317.353 1.915 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000277592040 408972208 /nfs/dbraw/zinc/97/22/08/408972208.db2.gz NLOQQNZEBKMJID-UHFFFAOYSA-N 1 2 305.334 1.524 20 5 DDBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277659408 408986686 /nfs/dbraw/zinc/98/66/86/408986686.db2.gz GECZHUGVGQXNBB-SECBINFHSA-N 1 2 317.305 1.438 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c(F)c1 ZINC000287460655 409040330 /nfs/dbraw/zinc/04/03/30/409040330.db2.gz RGAPQXLUIOHDLC-RKDXNWHRSA-N 1 2 302.277 1.191 20 5 DDBDLO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000288386878 409163235 /nfs/dbraw/zinc/16/32/35/409163235.db2.gz MBQXFKDCUWFYCD-NWDGAFQWSA-N 1 2 319.361 1.999 20 5 DDBDLO O=C(NCc1c[nH+]c[nH]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000321306900 164043879 /nfs/dbraw/zinc/04/38/79/164043879.db2.gz WDKVUWQXCVGWRA-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO O=C(NCc1c[nH]c[nH+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000321306900 164043880 /nfs/dbraw/zinc/04/38/80/164043880.db2.gz WDKVUWQXCVGWRA-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513497 409586335 /nfs/dbraw/zinc/58/63/35/409586335.db2.gz NEDLVYIHIDEJJT-RNCFNFMXSA-N 1 2 305.334 1.513 20 5 DDBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513497 409586341 /nfs/dbraw/zinc/58/63/41/409586341.db2.gz NEDLVYIHIDEJJT-RNCFNFMXSA-N 1 2 305.334 1.513 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342583236 409740526 /nfs/dbraw/zinc/74/05/26/409740526.db2.gz WUVWTFKHCBASAT-SNVBAGLBSA-N 1 2 311.313 1.184 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342583236 409740530 /nfs/dbraw/zinc/74/05/30/409740530.db2.gz WUVWTFKHCBASAT-SNVBAGLBSA-N 1 2 311.313 1.184 20 5 DDBDLO Cc1ccc[nH+]c1CCc1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000351135400 410041177 /nfs/dbraw/zinc/04/11/77/410041177.db2.gz ZDQGBORGPYWKCM-UHFFFAOYSA-N 1 2 314.305 1.867 20 5 DDBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000358631616 410502541 /nfs/dbraw/zinc/50/25/41/410502541.db2.gz IONPSHRGLOBZBJ-LBPRGKRZSA-N 1 2 318.337 1.165 20 5 DDBDLO CCOC(=O)c1ccnc(NCc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000302743506 410855785 /nfs/dbraw/zinc/85/57/85/410855785.db2.gz DUVYANUOZQVXIR-UHFFFAOYSA-N 1 2 317.305 1.756 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)nc1 ZINC000302789995 410867735 /nfs/dbraw/zinc/86/77/35/410867735.db2.gz XZDZALIFGAPTBA-CYBMUJFWSA-N 1 2 303.322 1.663 20 5 DDBDLO COc1cc(C[N@@H+]2CCSC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000330931192 410906663 /nfs/dbraw/zinc/90/66/63/410906663.db2.gz SKEOLENZLFFQDE-SNVBAGLBSA-N 1 2 316.354 1.652 20 5 DDBDLO COc1cc(C[N@H+]2CCSC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000330931192 410906669 /nfs/dbraw/zinc/90/66/69/410906669.db2.gz SKEOLENZLFFQDE-SNVBAGLBSA-N 1 2 316.354 1.652 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000348305223 410908660 /nfs/dbraw/zinc/90/86/60/410908660.db2.gz ODNCHWHVIPOHFF-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000348305223 410908667 /nfs/dbraw/zinc/90/86/67/410908667.db2.gz ODNCHWHVIPOHFF-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000337770956 410992340 /nfs/dbraw/zinc/99/23/40/410992340.db2.gz FMKNEQOETKXOAE-NSHDSACASA-N 1 2 324.362 1.467 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1COC[C@@H]1O ZINC000348640921 411045515 /nfs/dbraw/zinc/04/55/15/411045515.db2.gz INYQZCVBDBYVQJ-MNOVXSKESA-N 1 2 318.276 1.388 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1COC[C@@H]1O ZINC000348640921 411045520 /nfs/dbraw/zinc/04/55/20/411045520.db2.gz INYQZCVBDBYVQJ-MNOVXSKESA-N 1 2 318.276 1.388 20 5 DDBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000419322456 226113655 /nfs/dbraw/zinc/11/36/55/226113655.db2.gz HKDGQTWFYUWDMQ-ZIAGYGMSSA-N 1 2 323.393 1.361 20 5 DDBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000419322456 226113659 /nfs/dbraw/zinc/11/36/59/226113659.db2.gz HKDGQTWFYUWDMQ-ZIAGYGMSSA-N 1 2 323.393 1.361 20 5 DDBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085774 418428458 /nfs/dbraw/zinc/42/84/58/418428458.db2.gz HBWCOSCTKYTGRL-GYSYKLTISA-N 1 2 310.354 1.097 20 5 DDBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085774 418428460 /nfs/dbraw/zinc/42/84/60/418428460.db2.gz HBWCOSCTKYTGRL-GYSYKLTISA-N 1 2 310.354 1.097 20 5 DDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366412633 418471380 /nfs/dbraw/zinc/47/13/80/418471380.db2.gz DEXUYFFROVZWBK-JTQLQIEISA-N 1 2 301.306 1.997 20 5 DDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366412633 418471382 /nfs/dbraw/zinc/47/13/82/418471382.db2.gz DEXUYFFROVZWBK-JTQLQIEISA-N 1 2 301.306 1.997 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000372559567 418884099 /nfs/dbraw/zinc/88/40/99/418884099.db2.gz CMJISUOTJUWDPF-GJBLVYBDSA-N 1 2 305.334 1.055 20 5 DDBDLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000372559567 418884102 /nfs/dbraw/zinc/88/41/02/418884102.db2.gz CMJISUOTJUWDPF-GJBLVYBDSA-N 1 2 305.334 1.055 20 5 DDBDLO Cc1c(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000373216415 418932655 /nfs/dbraw/zinc/93/26/55/418932655.db2.gz AMQVJIIRCRDSGM-ZDUSSCGKSA-N 1 2 304.350 1.455 20 5 DDBDLO Cc1c(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000373216415 418932656 /nfs/dbraw/zinc/93/26/56/418932656.db2.gz AMQVJIIRCRDSGM-ZDUSSCGKSA-N 1 2 304.350 1.455 20 5 DDBDLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000425919567 419367600 /nfs/dbraw/zinc/36/76/00/419367600.db2.gz NPHKBOFWQRXDEJ-OAHLLOKOSA-N 1 2 307.350 1.689 20 5 DDBDLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000425919567 419367604 /nfs/dbraw/zinc/36/76/04/419367604.db2.gz NPHKBOFWQRXDEJ-OAHLLOKOSA-N 1 2 307.350 1.689 20 5 DDBDLO COC(=O)[C@@H]1CN(C)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912323 419475362 /nfs/dbraw/zinc/47/53/62/419475362.db2.gz VGKZXMDOVOWJLI-CHWSQXEVSA-N 1 2 321.377 1.692 20 5 DDBDLO COC(=O)[C@@H]1CN(C)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912323 419475371 /nfs/dbraw/zinc/47/53/71/419475371.db2.gz VGKZXMDOVOWJLI-CHWSQXEVSA-N 1 2 321.377 1.692 20 5 DDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428359894 419854878 /nfs/dbraw/zinc/85/48/78/419854878.db2.gz KBNAYBUWQNMQTO-LLVKDONJSA-N 1 2 315.333 1.334 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000299297452 229035640 /nfs/dbraw/zinc/03/56/40/229035640.db2.gz OARSORJCNXXTFU-LLVKDONJSA-N 1 2 303.322 1.408 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429552756 420024247 /nfs/dbraw/zinc/02/42/47/420024247.db2.gz BHJAEJCGLBDKTG-UHFFFAOYSA-N 1 2 309.370 1.067 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429552756 420024248 /nfs/dbraw/zinc/02/42/48/420024248.db2.gz BHJAEJCGLBDKTG-UHFFFAOYSA-N 1 2 309.370 1.067 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCNC(=O)C(C)C ZINC000430207532 420091010 /nfs/dbraw/zinc/09/10/10/420091010.db2.gz QZQMYAYCTRSNQE-UHFFFAOYSA-N 1 2 309.366 1.807 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000430207532 420091014 /nfs/dbraw/zinc/09/10/14/420091014.db2.gz QZQMYAYCTRSNQE-UHFFFAOYSA-N 1 2 309.366 1.807 20 5 DDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423731455 420147358 /nfs/dbraw/zinc/14/73/58/420147358.db2.gz OGAXTMJQHJQNLG-NWDGAFQWSA-N 1 2 305.334 1.875 20 5 DDBDLO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000439295960 420505941 /nfs/dbraw/zinc/50/59/41/420505941.db2.gz OKTXPPOFOXKUJB-DGCLKSJQSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000439295960 420505943 /nfs/dbraw/zinc/50/59/43/420505943.db2.gz OKTXPPOFOXKUJB-DGCLKSJQSA-N 1 2 310.350 1.839 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CC(F)(F)F)s1 ZINC000443510471 420752198 /nfs/dbraw/zinc/75/21/98/420752198.db2.gz NTZVMLSCGHMCHN-UHFFFAOYSA-N 1 2 307.257 2.422 20 5 DDBDLO C[C@H](CO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447803813 420801404 /nfs/dbraw/zinc/80/14/04/420801404.db2.gz CAXPENKTKXRLQZ-LBPRGKRZSA-N 1 2 309.366 1.467 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC1 ZINC000448558219 420862866 /nfs/dbraw/zinc/86/28/66/420862866.db2.gz NHSWMEYEGJKEHR-UHFFFAOYSA-N 1 2 302.290 1.253 20 5 DDBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448945483 420919998 /nfs/dbraw/zinc/91/99/98/420919998.db2.gz IPOYDIDNMIWMJK-GFCCVEGCSA-N 1 2 319.361 1.720 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448945483 420920002 /nfs/dbraw/zinc/92/00/02/420920002.db2.gz IPOYDIDNMIWMJK-GFCCVEGCSA-N 1 2 319.361 1.720 20 5 DDBDLO Cc1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ncc1[N+](=O)[O-] ZINC000450378367 421190870 /nfs/dbraw/zinc/19/08/70/421190870.db2.gz LQELGZZSSFIILN-LBPRGKRZSA-N 1 2 301.306 1.746 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000562742151 421407814 /nfs/dbraw/zinc/40/78/14/421407814.db2.gz KAFLKJLRFSNNQA-ZDUSSCGKSA-N 1 2 315.333 1.115 20 5 DDBDLO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000517769774 421628554 /nfs/dbraw/zinc/62/85/54/421628554.db2.gz RRXCHIDKXINUNK-UHFFFAOYSA-N 1 2 307.350 1.762 20 5 DDBDLO C[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000518381062 421650371 /nfs/dbraw/zinc/65/03/71/421650371.db2.gz GIPVMCBYCVJCBK-LBPRGKRZSA-N 1 2 317.349 1.971 20 5 DDBDLO CS(=O)(=O)c1cccc(N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000534282955 421687297 /nfs/dbraw/zinc/68/72/97/421687297.db2.gz VYYXJXVDBPDGPC-UHFFFAOYSA-N 1 2 322.346 1.256 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000541551556 421797440 /nfs/dbraw/zinc/79/74/40/421797440.db2.gz CVYKHNBLWSBYHR-UHFFFAOYSA-N 1 2 308.725 1.954 20 5 DDBDLO C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000583601789 422193104 /nfs/dbraw/zinc/19/31/04/422193104.db2.gz WSKMYQJGYDMCQT-NSHDSACASA-N 1 2 300.318 1.978 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(Cl)c1 ZINC000578795620 422650852 /nfs/dbraw/zinc/65/08/52/422650852.db2.gz PHKJNEZFUAFJNO-MFKMUULPSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(Cl)c1 ZINC000578795620 422650857 /nfs/dbraw/zinc/65/08/57/422650857.db2.gz PHKJNEZFUAFJNO-MFKMUULPSA-N 1 2 300.742 1.423 20 5 DDBDLO CC(=O)c1cc(NCC[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341971635 271262097 /nfs/dbraw/zinc/26/20/97/271262097.db2.gz LLBSHMCRDUODFA-NSHDSACASA-N 1 2 307.350 1.930 20 5 DDBDLO CC(=O)c1cc(NCC[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341971635 271262098 /nfs/dbraw/zinc/26/20/98/271262098.db2.gz LLBSHMCRDUODFA-NSHDSACASA-N 1 2 307.350 1.930 20 5 DDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078544664 278260618 /nfs/dbraw/zinc/26/06/18/278260618.db2.gz QOODNHRJRLAWAD-LBPRGKRZSA-N 1 2 321.381 1.352 20 5 DDBDLO Cc1cnc(N2CCN(c3cc[nH+]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000273532847 279015573 /nfs/dbraw/zinc/01/55/73/279015573.db2.gz UXUIHRPULYGBAY-UHFFFAOYSA-N 1 2 314.349 1.723 20 5 DDBDLO Cc1c[nH]nc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000290452059 280281988 /nfs/dbraw/zinc/28/19/88/280281988.db2.gz OSHWVNBHPZAVCU-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2[nH+]ccn21 ZINC000412404584 288555621 /nfs/dbraw/zinc/55/56/21/288555621.db2.gz VPBWMTVCWYCSJT-GMSGAONNSA-N 1 2 303.278 1.328 20 5 DDBDLO Cc1cn2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000357912061 299018075 /nfs/dbraw/zinc/01/80/75/299018075.db2.gz OMEIKUJGXCMROK-UHFFFAOYSA-N 1 2 300.278 1.537 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363699844 300298292 /nfs/dbraw/zinc/29/82/92/300298292.db2.gz IZHDTXBHLAMCFQ-GFCCVEGCSA-N 1 2 305.334 1.611 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363699844 300298294 /nfs/dbraw/zinc/29/82/94/300298294.db2.gz IZHDTXBHLAMCFQ-GFCCVEGCSA-N 1 2 305.334 1.611 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491519571 300346200 /nfs/dbraw/zinc/34/62/00/300346200.db2.gz JOPATXHRRLVTOG-IRBQFCFKSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491519571 300346202 /nfs/dbraw/zinc/34/62/02/300346202.db2.gz JOPATXHRRLVTOG-IRBQFCFKSA-N 1 2 319.361 1.445 20 5 DDBDLO CCc1nn(C)c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000367735187 300879062 /nfs/dbraw/zinc/87/90/62/300879062.db2.gz XFKPGLJWPGLVMP-VXGBXAGGSA-N 1 2 323.397 1.190 20 5 DDBDLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000368411687 301021652 /nfs/dbraw/zinc/02/16/52/301021652.db2.gz JBECBFQWVRAZRB-GWCFXTLKSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000368411687 301021653 /nfs/dbraw/zinc/02/16/53/301021653.db2.gz JBECBFQWVRAZRB-GWCFXTLKSA-N 1 2 305.334 1.467 20 5 DDBDLO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362216017 307015471 /nfs/dbraw/zinc/01/54/71/307015471.db2.gz FGHMHKDLOSECAK-CQSZACIVSA-N 1 2 319.361 1.708 20 5 DDBDLO Nc1ccc([N+](=O)[O-])c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000367181536 307088256 /nfs/dbraw/zinc/08/82/56/307088256.db2.gz YUPIGPRDPQWEEK-AWEZNQCLSA-N 1 2 317.349 1.850 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(N)c([N+](=O)[O-])c1 ZINC000378311611 307285385 /nfs/dbraw/zinc/28/53/85/307285385.db2.gz QUTFPAZVVNQXCE-VIFPVBQESA-N 1 2 315.333 1.496 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(N)c([N+](=O)[O-])c1 ZINC000378311611 307285386 /nfs/dbraw/zinc/28/53/86/307285386.db2.gz QUTFPAZVVNQXCE-VIFPVBQESA-N 1 2 315.333 1.496 20 5 DDBDLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000567164344 308073506 /nfs/dbraw/zinc/07/35/06/308073506.db2.gz BGVIFLQDNLEICK-NSHDSACASA-N 1 2 322.365 1.298 20 5 DDBDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000567164344 308073508 /nfs/dbraw/zinc/07/35/08/308073508.db2.gz BGVIFLQDNLEICK-NSHDSACASA-N 1 2 322.365 1.298 20 5 DDBDLO CC(=O)c1ccc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154805819 518387919 /nfs/dbraw/zinc/38/79/19/518387919.db2.gz LBMXJJAKFQWZPY-MEBBXXQBSA-N 1 2 307.350 1.928 20 5 DDBDLO CC(=O)c1ccc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154805819 518387932 /nfs/dbraw/zinc/38/79/32/518387932.db2.gz 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CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C(F)(F)F)O1 ZINC000292352913 529121175 /nfs/dbraw/zinc/12/11/75/529121175.db2.gz VNPWBSOEJDVTQB-VIFPVBQESA-N 1 2 322.287 1.833 20 5 DDBDLO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C(F)(F)F)O1 ZINC000292352913 529121177 /nfs/dbraw/zinc/12/11/77/529121177.db2.gz VNPWBSOEJDVTQB-VIFPVBQESA-N 1 2 322.287 1.833 20 5 DDBDLO COCCONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000748766899 700133107 /nfs/dbraw/zinc/13/31/07/700133107.db2.gz KBWMDTPRELLIBX-UHFFFAOYSA-N 1 2 306.278 1.088 20 5 DDBDLO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000779555274 698434843 /nfs/dbraw/zinc/43/48/43/698434843.db2.gz FNFYGNAWLFHUTM-UHFFFAOYSA-N 1 2 308.294 1.325 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000784913739 699046454 /nfs/dbraw/zinc/04/64/54/699046454.db2.gz HIUYPWIYHAENRG-LLPBQKLSSA-N 1 2 320.345 1.872 20 5 DDBDLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC000729517835 699481027 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Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1C ZINC000487382505 421020176 /nfs/dbraw/zinc/02/01/76/421020176.db2.gz ZSJMBIFTLPDMDW-LBPRGKRZSA-N 1 2 316.365 1.718 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nn1C ZINC000487379622 421020581 /nfs/dbraw/zinc/02/05/81/421020581.db2.gz OAVJVAQVOLNWNP-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000450348758 421187318 /nfs/dbraw/zinc/18/73/18/421187318.db2.gz MVFCIUINQPXPFI-QMTHXVAHSA-N 1 2 316.317 1.233 20 5 DDBDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000507141108 421422621 /nfs/dbraw/zinc/42/26/21/421422621.db2.gz GIAZPWRRRHQLNR-SNVBAGLBSA-N 1 2 318.333 1.871 20 5 DDBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000548411809 421435540 /nfs/dbraw/zinc/43/55/40/421435540.db2.gz LRMZEHUXXUXNKJ-UHFFFAOYSA-N 1 2 312.289 1.971 20 5 DDBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548952128 421488382 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714311099 /nfs/dbraw/zinc/31/10/99/714311099.db2.gz GGWOYVNMAIGHHF-NSHDSACASA-N 1 2 308.334 1.992 20 5 DDBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001164635562 719204643 /nfs/dbraw/zinc/20/46/43/719204643.db2.gz JEFANLVAFHWUEM-IUCAKERBSA-N 1 2 300.746 1.410 20 5 DDBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001164635562 719204649 /nfs/dbraw/zinc/20/46/49/719204649.db2.gz JEFANLVAFHWUEM-IUCAKERBSA-N 1 2 300.746 1.410 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000694708531 736333600 /nfs/dbraw/zinc/33/36/00/736333600.db2.gz YDWXJCNDVOKEMS-UHFFFAOYSA-N 1 2 300.742 1.425 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000694708531 736333606 /nfs/dbraw/zinc/33/36/06/736333606.db2.gz YDWXJCNDVOKEMS-UHFFFAOYSA-N 1 2 300.742 1.425 20 5 DDBDLO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC001168284420 742141489 /nfs/dbraw/zinc/14/14/89/742141489.db2.gz JODZECOVAXAABY-GFCCVEGCSA-N 1 2 304.350 1.884 20 5 DDBDLO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC001168284420 742141491 /nfs/dbraw/zinc/14/14/91/742141491.db2.gz JODZECOVAXAABY-GFCCVEGCSA-N 1 2 304.350 1.884 20 5 DDBDLO O=C(NC1C[NH+](CCCc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292643 744025668 /nfs/dbraw/zinc/02/56/68/744025668.db2.gz QAECQSHSWZTEKT-CHWSQXEVSA-N 1 2 309.391 1.146 20 5 DDBDLO Cc1noc(C)c1C[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001184820987 744108390 /nfs/dbraw/zinc/10/83/90/744108390.db2.gz NBGGCOFAFKNQFV-UHFFFAOYSA-N 1 2 320.353 1.255 20 5 DDBDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984408 762152459 /nfs/dbraw/zinc/15/24/59/762152459.db2.gz MQNOQILCTQAHBG-SNPRPXQTSA-N 1 2 321.377 1.591 20 5 DDBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)Cc1[nH]cc[nH+]1 ZINC001109506410 763761629 /nfs/dbraw/zinc/76/16/29/763761629.db2.gz GYFVYZSKNAJJNG-UHFFFAOYSA-N 1 2 317.349 1.821 20 5 DDBDLO Cc1ccc(NCCNC(=O)CCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC001093581859 774857993 /nfs/dbraw/zinc/85/79/93/774857993.db2.gz FTSSEMVSMHJHPV-UHFFFAOYSA-N 1 2 317.349 1.787 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001094809082 776309604 /nfs/dbraw/zinc/30/96/04/776309604.db2.gz VZABFHZOEYDWRK-UHFFFAOYSA-N 1 2 317.349 1.787 20 5 DDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)C(F)(F)F ZINC001173213840 777068093 /nfs/dbraw/zinc/06/80/93/777068093.db2.gz LFHHNNYXXMKNIW-SECBINFHSA-N 1 2 319.283 1.794 20 5 DDBDLO Cc1ccnc(NCCN(C)C(=O)Cc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC001101975936 777757076 /nfs/dbraw/zinc/75/70/76/777757076.db2.gz UUFLPFQKUWLFFB-UHFFFAOYSA-N 1 2 318.337 1.134 20 5 DDBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nccc(C)c1[N+](=O)[O-] ZINC001160690575 866029622 /nfs/dbraw/zinc/02/96/22/866029622.db2.gz DWEBWDSNIIGBSV-NSHDSACASA-N 1 2 319.321 1.228 20 5 DDBDLO CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1 ZINC001225804010 882039112 /nfs/dbraw/zinc/03/91/12/882039112.db2.gz LYNKSHWGIIESDO-SGIREYDYSA-N 1 2 318.329 1.980 20 5 DDBDLO CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1 ZINC001225804010 882039130 /nfs/dbraw/zinc/03/91/30/882039130.db2.gz LYNKSHWGIIESDO-SGIREYDYSA-N 1 2 318.329 1.980 20 5 DDBDLO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001324470602 867296355 /nfs/dbraw/zinc/29/63/55/867296355.db2.gz CYMJJWPCBCTLFP-FZMZJTMJSA-N 1 2 318.333 1.277 20 5 DDBDLO Cc1c(C[NH2+]Cc2nnc3n2CCOC3)cccc1[N+](=O)[O-] ZINC001335948961 868639879 /nfs/dbraw/zinc/63/98/79/868639879.db2.gz ISSCZZFHORKXLD-UHFFFAOYSA-N 1 2 303.322 1.315 20 5 DDBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC001307691675 871447609 /nfs/dbraw/zinc/44/76/09/871447609.db2.gz AUZSJNLVPASYLM-BMIGLBTASA-N 1 2 316.317 1.459 20 5 DDBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)o1 ZINC001307691675 871447620 /nfs/dbraw/zinc/44/76/20/871447620.db2.gz AUZSJNLVPASYLM-BMIGLBTASA-N 1 2 316.317 1.459 20 5 DDBDLO Cn1c[nH+]cc1CCCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001343719403 872732536 /nfs/dbraw/zinc/73/25/36/872732536.db2.gz QRPFQJWSSZRQRN-UHFFFAOYSA-N 1 2 319.317 1.883 20 5 DDBDLO CC[N@@H+]1CC[C@@H](Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001227625496 883109740 /nfs/dbraw/zinc/10/97/40/883109740.db2.gz YIKIKDRVDFGQIG-SSDOTTSWSA-N 1 2 300.340 1.285 20 5 DDBDLO CC[N@H+]1CC[C@@H](Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001227625496 883109743 /nfs/dbraw/zinc/10/97/43/883109743.db2.gz YIKIKDRVDFGQIG-SSDOTTSWSA-N 1 2 300.340 1.285 20 5 DDBDLO O=c1cc(O[C@H]2C[NH2+]CC2(F)F)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218233015 877431405 /nfs/dbraw/zinc/43/14/05/877431405.db2.gz IFECQGFMAVKVOQ-NSHDSACASA-N 1 2 311.244 1.835 20 5 DDBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232221543 886168474 /nfs/dbraw/zinc/16/84/74/886168474.db2.gz AKYOVOCQOPFFRJ-HNNXBMFYSA-N 1 2 322.368 1.469 20 5 DDBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232221543 886168477 /nfs/dbraw/zinc/16/84/77/886168477.db2.gz AKYOVOCQOPFFRJ-HNNXBMFYSA-N 1 2 322.368 1.469 20 5 DDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001254550561 896498397 /nfs/dbraw/zinc/49/83/97/896498397.db2.gz LSQIVHBUAWKOPN-ZBFHGGJFSA-N 1 2 319.405 1.932 20 5 DDBDLO COCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447799292 230493675 /nfs/dbraw/zinc/49/36/75/230493675.db2.gz HLCGPDLOZYDOMY-UHFFFAOYSA-N 1 2 309.366 1.510 20 5 DDBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[NH+]1CCOCC1 ZINC000278475468 214176765 /nfs/dbraw/zinc/17/67/65/214176765.db2.gz UXXVKRLLVMAMGO-UHFFFAOYSA-N 1 2 320.271 1.753 20 5 DDBDLO CCc1cnc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090551531 185302742 /nfs/dbraw/zinc/30/27/42/185302742.db2.gz OFBAYPSOHIQAGV-UHFFFAOYSA-N 1 2 322.390 1.907 20 5 DDBDLO CCc1cnc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090551531 185302743 /nfs/dbraw/zinc/30/27/43/185302743.db2.gz OFBAYPSOHIQAGV-UHFFFAOYSA-N 1 2 322.390 1.907 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491368228 529788846 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DDBDLO CC(C)C(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037749 352434131 /nfs/dbraw/zinc/43/41/31/352434131.db2.gz SRPVBSZDIJYOQB-UHFFFAOYSA-N 1 2 321.377 1.774 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000047265058 352488690 /nfs/dbraw/zinc/48/86/90/352488690.db2.gz RZYGIEZEGPDQFQ-LLVKDONJSA-N 1 2 317.349 1.676 20 5 DDBDLO NC(=O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000083168665 353706304 /nfs/dbraw/zinc/70/63/04/353706304.db2.gz YIDAFHYZVQSWID-UHFFFAOYSA-N 1 2 318.333 1.966 20 5 DDBDLO NC(=O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000083168665 353706307 /nfs/dbraw/zinc/70/63/07/353706307.db2.gz YIDAFHYZVQSWID-UHFFFAOYSA-N 1 2 318.333 1.966 20 5 DDBDLO CCc1nn(C)c(NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092826942 353871697 /nfs/dbraw/zinc/87/16/97/353871697.db2.gz TZUZTWQQCBWJBP-UHFFFAOYSA-N 1 2 311.386 1.413 20 5 DDBDLO Cn1c[nH+]cc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000291246092 354445969 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DDBDLO CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000595477481 356509483 /nfs/dbraw/zinc/50/94/83/356509483.db2.gz UFSASRZGIJYGCS-ZDUSSCGKSA-N 1 2 323.324 1.703 20 5 DDBDLO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000595477481 356509486 /nfs/dbraw/zinc/50/94/86/356509486.db2.gz UFSASRZGIJYGCS-ZDUSSCGKSA-N 1 2 323.324 1.703 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757062 356638203 /nfs/dbraw/zinc/63/82/03/356638203.db2.gz MCLUGCKZSDZAIQ-XHDPSFHLSA-N 1 2 305.334 1.298 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757062 356638205 /nfs/dbraw/zinc/63/82/05/356638205.db2.gz MCLUGCKZSDZAIQ-XHDPSFHLSA-N 1 2 305.334 1.298 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597995835 357411638 /nfs/dbraw/zinc/41/16/38/357411638.db2.gz GPGCXLGADQROEK-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597995835 357411644 /nfs/dbraw/zinc/41/16/44/357411644.db2.gz GPGCXLGADQROEK-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598466086 357593296 /nfs/dbraw/zinc/59/32/96/357593296.db2.gz WTAQEJZKTMDWMY-VIFPVBQESA-N 1 2 306.297 1.887 20 5 DDBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c(F)c1 ZINC000599439588 357937086 /nfs/dbraw/zinc/93/70/86/357937086.db2.gz XUWUHJGJTHDKBT-UHFFFAOYSA-N 1 2 319.340 1.775 20 5 DDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCc2[nH]c[nH+]c2C1 ZINC000599951543 358088930 /nfs/dbraw/zinc/08/89/30/358088930.db2.gz FAASVPWIDFOLQM-UHFFFAOYSA-N 1 2 316.273 1.245 20 5 DDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCc2[nH+]c[nH]c2C1 ZINC000599951543 358088933 /nfs/dbraw/zinc/08/89/33/358088933.db2.gz FAASVPWIDFOLQM-UHFFFAOYSA-N 1 2 316.273 1.245 20 5 DDBDLO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000602167621 358859983 /nfs/dbraw/zinc/85/99/83/358859983.db2.gz 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C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000602898078 359280019 /nfs/dbraw/zinc/28/00/19/359280019.db2.gz KYJJOGRIOMZICA-TVQRCGJNSA-N 1 2 302.277 1.191 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603218520 359490009 /nfs/dbraw/zinc/49/00/09/359490009.db2.gz PAVXPVHINONKQI-GFCCVEGCSA-N 1 2 323.740 1.549 20 5 DDBDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000281140082 216105670 /nfs/dbraw/zinc/10/56/70/216105670.db2.gz OTAKGGSCUOPVQO-MRXNPFEDSA-N 1 2 321.377 1.952 20 5 DDBDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000281140082 216105673 /nfs/dbraw/zinc/10/56/73/216105673.db2.gz OTAKGGSCUOPVQO-MRXNPFEDSA-N 1 2 321.377 1.952 20 5 DDBDLO Cn1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000609131485 360262938 /nfs/dbraw/zinc/26/29/38/360262938.db2.gz QSJZKLNVXJFBMO-NSHDSACASA-N 1 2 303.322 1.607 20 5 DDBDLO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610579557 360475249 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Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000613471830 361433078 /nfs/dbraw/zinc/43/30/78/361433078.db2.gz WQUUOEKWUYIBKX-SECBINFHSA-N 1 2 319.408 1.337 20 5 DDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000613471830 361433083 /nfs/dbraw/zinc/43/30/83/361433083.db2.gz WQUUOEKWUYIBKX-SECBINFHSA-N 1 2 319.408 1.337 20 5 DDBDLO COC(=O)c1cc(C(=O)NC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000275297618 212256315 /nfs/dbraw/zinc/25/63/15/212256315.db2.gz YFCIYSNELJMQJD-UHFFFAOYSA-N 1 2 321.333 1.204 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH+]cn2C)c1C ZINC000349783386 284051449 /nfs/dbraw/zinc/05/14/49/284051449.db2.gz KYSYWAMTSAOBAJ-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3c([N+](=O)[O-])cnn3C)n2)C1 ZINC000349847642 284076024 /nfs/dbraw/zinc/07/60/24/284076024.db2.gz HZAQDJZXYBLJGL-JTQLQIEISA-N 1 2 322.325 1.160 20 5 DDBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3c([N+](=O)[O-])cnn3C)n2)C1 ZINC000349847642 284076028 /nfs/dbraw/zinc/07/60/28/284076028.db2.gz HZAQDJZXYBLJGL-JTQLQIEISA-N 1 2 322.325 1.160 20 5 DDBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000267799780 206291847 /nfs/dbraw/zinc/29/18/47/206291847.db2.gz KPCGCXPQWCBECB-JTQLQIEISA-N 1 2 313.741 1.907 20 5 DDBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000267799780 206291852 /nfs/dbraw/zinc/29/18/52/206291852.db2.gz KPCGCXPQWCBECB-JTQLQIEISA-N 1 2 313.741 1.907 20 5 DDBDLO COc1cc(OCC(=O)NCCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000174764715 248380727 /nfs/dbraw/zinc/38/07/27/248380727.db2.gz OEOWTVJYAXXRGF-UHFFFAOYSA-N 1 2 320.305 1.064 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156859599 197145538 /nfs/dbraw/zinc/14/55/38/197145538.db2.gz WIAWWVGJXSULDZ-QWHCGFSZSA-N 1 2 310.350 1.445 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156859599 197145539 /nfs/dbraw/zinc/14/55/39/197145539.db2.gz WIAWWVGJXSULDZ-QWHCGFSZSA-N 1 2 310.350 1.445 20 5 DDBDLO 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CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC(C)(C)C ZINC000186312700 407634587 /nfs/dbraw/zinc/63/45/87/407634587.db2.gz DYTRXLSQQXTVPH-UHFFFAOYSA-N 1 2 312.370 1.845 20 5 DDBDLO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC(C)(C)C ZINC000186312700 407634592 /nfs/dbraw/zinc/63/45/92/407634592.db2.gz DYTRXLSQQXTVPH-UHFFFAOYSA-N 1 2 312.370 1.845 20 5 DDBDLO CN(CC1CC1)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153006632 407734072 /nfs/dbraw/zinc/73/40/72/407734072.db2.gz IUGXDANRFXPBGJ-UHFFFAOYSA-N 1 2 303.362 1.821 20 5 DDBDLO CN(CC1CC1)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153006632 407734077 /nfs/dbraw/zinc/73/40/77/407734077.db2.gz IUGXDANRFXPBGJ-UHFFFAOYSA-N 1 2 303.362 1.821 20 5 DDBDLO Cc1cc(N(CCO)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267249736 407805483 /nfs/dbraw/zinc/80/54/83/407805483.db2.gz UGSPSWUTAYFWRR-UHFFFAOYSA-N 1 2 318.333 1.151 20 5 DDBDLO COCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]CC1 ZINC000262490751 407847611 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20 5 DDBDLO CC(=O)N1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000268653591 408142155 /nfs/dbraw/zinc/14/21/55/408142155.db2.gz GYFFQVUSEDUMIQ-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO COC(=O)c1cnc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000190170474 408183308 /nfs/dbraw/zinc/18/33/08/408183308.db2.gz JCXUJARFNDGFDQ-UHFFFAOYSA-N 1 2 306.322 1.061 20 5 DDBDLO O=C(NCc1[nH]cc[nH+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134279626 162074864 /nfs/dbraw/zinc/07/48/64/162074864.db2.gz PBEXNYIJSXIZEY-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000191791367 408494377 /nfs/dbraw/zinc/49/43/77/408494377.db2.gz SDZVROXVRKVQDS-JTQLQIEISA-N 1 2 318.337 1.902 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265625092 408716781 /nfs/dbraw/zinc/71/67/81/408716781.db2.gz CRTKXHGKODBHIE-GWCFXTLKSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265625092 408716787 /nfs/dbraw/zinc/71/67/87/408716787.db2.gz CRTKXHGKODBHIE-GWCFXTLKSA-N 1 2 320.349 1.084 20 5 DDBDLO CC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193648159 408734613 /nfs/dbraw/zinc/73/46/13/408734613.db2.gz TUIUIEUTZLTJRP-UHFFFAOYSA-N 1 2 322.321 1.557 20 5 DDBDLO CC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193648159 408734619 /nfs/dbraw/zinc/73/46/19/408734619.db2.gz TUIUIEUTZLTJRP-UHFFFAOYSA-N 1 2 322.321 1.557 20 5 DDBDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184804628 408693852 /nfs/dbraw/zinc/69/38/52/408693852.db2.gz XDSIOJBQZFYCTE-CYBMUJFWSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184804628 408693855 /nfs/dbraw/zinc/69/38/55/408693855.db2.gz XDSIOJBQZFYCTE-CYBMUJFWSA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277594531 408972672 /nfs/dbraw/zinc/97/26/72/408972672.db2.gz 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COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000280667385 409402151 /nfs/dbraw/zinc/40/21/51/409402151.db2.gz CDLCDVNDPXPZPS-SNVBAGLBSA-N 1 2 319.321 1.721 20 5 DDBDLO CC[C@@H](CCO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000305107024 409685472 /nfs/dbraw/zinc/68/54/72/409685472.db2.gz BVFXBFCRFWWLMD-LBPRGKRZSA-N 1 2 318.333 1.671 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000331901767 409798439 /nfs/dbraw/zinc/79/84/39/409798439.db2.gz QGUAPXLYUUDFGD-UHFFFAOYSA-N 1 2 304.310 1.294 20 5 DDBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354455539 409868529 /nfs/dbraw/zinc/86/85/29/409868529.db2.gz CSIUUPPOAIQDTE-UHFFFAOYSA-N 1 2 312.289 1.638 20 5 DDBDLO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000332167489 409943086 /nfs/dbraw/zinc/94/30/86/409943086.db2.gz RXDVWMHTVNRSDA-FZMZJTMJSA-N 1 2 322.365 1.106 20 5 DDBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000332424914 410146742 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Cc1nc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000347875785 410769981 /nfs/dbraw/zinc/76/99/81/410769981.db2.gz KCDZTQKTYIOGOX-UHFFFAOYSA-N 1 2 322.346 1.579 20 5 DDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000348659182 411049638 /nfs/dbraw/zinc/04/96/38/411049638.db2.gz JBYLXUYVMUQSFU-UHFFFAOYSA-N 1 2 314.305 1.406 20 5 DDBDLO COc1ccc(C[N@@H+]2CCC[C@]23CCNC3=O)cc1[N+](=O)[O-] ZINC000580461878 422934738 /nfs/dbraw/zinc/93/47/38/422934738.db2.gz IWRIFCQHMMCFBC-OAHLLOKOSA-N 1 2 305.334 1.458 20 5 DDBDLO COc1ccc(C[N@H+]2CCC[C@]23CCNC3=O)cc1[N+](=O)[O-] ZINC000580461878 422934740 /nfs/dbraw/zinc/93/47/40/422934740.db2.gz IWRIFCQHMMCFBC-OAHLLOKOSA-N 1 2 305.334 1.458 20 5 DDBDLO Cc1ccc[nH+]c1CCc1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000351133844 306762534 /nfs/dbraw/zinc/76/25/34/306762534.db2.gz UCFIOSDTDAVDKC-UHFFFAOYSA-N 1 2 314.305 1.867 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000373735501 418452945 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1.540 20 5 DDBDLO CC[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000421882449 419758696 /nfs/dbraw/zinc/75/86/96/419758696.db2.gz SCTRHFCVPKZZBY-ZIAGYGMSSA-N 1 2 304.350 1.778 20 5 DDBDLO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000429573386 420027210 /nfs/dbraw/zinc/02/72/10/420027210.db2.gz AVYHPDVPSBIKQO-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000429573386 420027213 /nfs/dbraw/zinc/02/72/13/420027213.db2.gz AVYHPDVPSBIKQO-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436969139 420388727 /nfs/dbraw/zinc/38/87/27/420388727.db2.gz XLMSSQBHTKZXLI-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436969139 420388732 /nfs/dbraw/zinc/38/87/32/420388732.db2.gz XLMSSQBHTKZXLI-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC(F)(F)CO)n1 ZINC000447601215 420785843 /nfs/dbraw/zinc/78/58/43/420785843.db2.gz PDSVRLOIQIVEDT-ZJUUUORDSA-N 1 2 304.297 1.492 20 5 DDBDLO C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000555307757 421675023 /nfs/dbraw/zinc/67/50/23/421675023.db2.gz MJODKWFAUMOQOM-CHWSQXEVSA-N 1 2 321.377 1.535 20 5 DDBDLO C[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000555307757 421675026 /nfs/dbraw/zinc/67/50/26/421675026.db2.gz MJODKWFAUMOQOM-CHWSQXEVSA-N 1 2 321.377 1.535 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCCCCn2cc[nH+]c2)n1 ZINC000557610502 421781533 /nfs/dbraw/zinc/78/15/33/421781533.db2.gz BFGPXJFZWDLUGU-UHFFFAOYSA-N 1 2 306.326 1.218 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000541690594 421799788 /nfs/dbraw/zinc/79/97/88/421799788.db2.gz NLINOOYDXVOUOK-KOLCDFICSA-N 1 2 322.321 1.377 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOC[C@@H]1CCCO1)CC2 ZINC000544441271 421845122 /nfs/dbraw/zinc/84/51/22/421845122.db2.gz UMDMQESHPKXHRT-AWEZNQCLSA-N 1 2 307.350 1.544 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOC[C@@H]1CCCO1)CC2 ZINC000544441271 421845123 /nfs/dbraw/zinc/84/51/23/421845123.db2.gz UMDMQESHPKXHRT-AWEZNQCLSA-N 1 2 307.350 1.544 20 5 DDBDLO CNc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000315197378 271013770 /nfs/dbraw/zinc/01/37/70/271013770.db2.gz CWUIXJAWIMZFKI-UHFFFAOYSA-N 1 2 304.350 1.557 20 5 DDBDLO CS(=O)(=O)c1cccc(N2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000345176132 272185523 /nfs/dbraw/zinc/18/55/23/272185523.db2.gz RWUCGIPMAXNWPM-UHFFFAOYSA-N 1 2 322.346 1.215 20 5 DDBDLO CCN1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000450493832 276204053 /nfs/dbraw/zinc/20/40/53/276204053.db2.gz GVNZJFNNLIGZSE-GFCCVEGCSA-N 1 2 317.353 1.300 20 5 DDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000078237169 276884985 /nfs/dbraw/zinc/88/49/85/276884985.db2.gz FKSQZVNXGSOWEL-UHFFFAOYSA-N 1 2 317.349 1.677 20 5 DDBDLO C[NH+]1CCC(Oc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccn2)CC1 ZINC000364174333 300353715 /nfs/dbraw/zinc/35/37/15/300353715.db2.gz UXVIKTFDKCUKBA-CHWSQXEVSA-N 1 2 320.349 1.158 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369587074 301200615 /nfs/dbraw/zinc/20/06/15/301200615.db2.gz IASIKYDMDSSSAH-GFCCVEGCSA-N 1 2 321.333 1.630 20 5 DDBDLO CCOc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369587074 301200616 /nfs/dbraw/zinc/20/06/16/301200616.db2.gz IASIKYDMDSSSAH-GFCCVEGCSA-N 1 2 321.333 1.630 20 5 DDBDLO Cc1[nH+]ccn1-c1ccc(F)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000377649149 302203289 /nfs/dbraw/zinc/20/32/89/302203289.db2.gz PJNXCPQMGBPTCO-GXFFZTMASA-N 1 2 304.281 1.924 20 5 DDBDLO Nc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000378080439 302276236 /nfs/dbraw/zinc/27/62/36/302276236.db2.gz UCVRXTKYHTUWOW-UHFFFAOYSA-N 1 2 315.333 1.920 20 5 DDBDLO Nc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000378080439 302276239 /nfs/dbraw/zinc/27/62/39/302276239.db2.gz UCVRXTKYHTUWOW-UHFFFAOYSA-N 1 2 315.333 1.920 20 5 DDBDLO Cc1n[nH]cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535785639 303353072 /nfs/dbraw/zinc/35/30/72/303353072.db2.gz AHINQGZAMPPTKP-UHFFFAOYSA-N 1 2 302.338 1.344 20 5 DDBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363917207 307037548 /nfs/dbraw/zinc/03/75/48/307037548.db2.gz DRVQCEMLDVMALF-LBPRGKRZSA-N 1 2 304.354 1.707 20 5 DDBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363917207 307037549 /nfs/dbraw/zinc/03/75/49/307037549.db2.gz DRVQCEMLDVMALF-LBPRGKRZSA-N 1 2 304.354 1.707 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000365203760 307062203 /nfs/dbraw/zinc/06/22/03/307062203.db2.gz NOSJSQSITBSMPL-VIFPVBQESA-N 1 2 304.310 1.071 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000371852004 307158860 /nfs/dbraw/zinc/15/88/60/307158860.db2.gz DNJVSYYGMAJZNU-SNVBAGLBSA-N 1 2 315.333 1.427 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000374369887 307206915 /nfs/dbraw/zinc/20/69/15/307206915.db2.gz WEUQCIXHIIUKHM-LLVKDONJSA-N 1 2 307.350 1.810 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000374369887 307206916 /nfs/dbraw/zinc/20/69/16/307206916.db2.gz WEUQCIXHIIUKHM-LLVKDONJSA-N 1 2 307.350 1.810 20 5 DDBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])o1 ZINC000376715637 307255054 /nfs/dbraw/zinc/25/50/54/307255054.db2.gz MYUPKPKOLVRMAZ-UHFFFAOYSA-N 1 2 313.273 1.699 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncs3)CC2)cn1 ZINC000536637791 307666389 /nfs/dbraw/zinc/66/63/89/307666389.db2.gz NJKVXBCCDYMBBL-UHFFFAOYSA-N 1 2 305.363 1.769 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000548460599 307770131 /nfs/dbraw/zinc/77/01/31/307770131.db2.gz LNUHXTODSJSDIE-UHFFFAOYSA-N 1 2 318.333 1.456 20 5 DDBDLO COc1cc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000433260641 533827498 /nfs/dbraw/zinc/82/74/98/533827498.db2.gz ZJBGRGAMFSWKGI-WIUDPPPLSA-N 1 2 312.391 1.804 20 5 DDBDLO COc1cc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000433260641 533827504 /nfs/dbraw/zinc/82/75/04/533827504.db2.gz ZJBGRGAMFSWKGI-WIUDPPPLSA-N 1 2 312.391 1.804 20 5 DDBDLO Cn1cnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000331689307 534807503 /nfs/dbraw/zinc/80/75/03/534807503.db2.gz YGEJVFNNUDJQGG-GHMZBOCLSA-N 1 2 305.342 1.193 20 5 DDBDLO O=C1CN(C[N@H+]2CC=CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000778577409 698349139 /nfs/dbraw/zinc/34/91/39/698349139.db2.gz STLGFNNUQHGOQV-UHFFFAOYSA-N 1 2 316.317 1.583 20 5 DDBDLO O=C1CN(C[N@@H+]2CC=CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000778577409 698349143 /nfs/dbraw/zinc/34/91/43/698349143.db2.gz STLGFNNUQHGOQV-UHFFFAOYSA-N 1 2 316.317 1.583 20 5 DDBDLO Cc1nn(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000779868270 698476820 /nfs/dbraw/zinc/47/68/20/698476820.db2.gz LBDLOLZHSQYWRI-HNNXBMFYSA-N 1 2 320.324 1.790 20 5 DDBDLO Cc1nn(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000779868270 698476824 /nfs/dbraw/zinc/47/68/24/698476824.db2.gz LBDLOLZHSQYWRI-HNNXBMFYSA-N 1 2 320.324 1.790 20 5 DDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000787305387 699204363 /nfs/dbraw/zinc/20/43/63/699204363.db2.gz AZFFGAURGVSHHF-VIFPVBQESA-N 1 2 301.306 1.118 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000788565923 699324133 /nfs/dbraw/zinc/32/41/33/699324133.db2.gz PNVSTMTVVJZMJC-LBPRGKRZSA-N 1 2 319.365 1.399 20 5 DDBDLO COc1ccc(CC(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000791838617 699657741 /nfs/dbraw/zinc/65/77/41/699657741.db2.gz IWTVWCRTCVLOPH-UHFFFAOYSA-N 1 2 317.301 1.867 20 5 DDBDLO Nc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000753896688 700465800 /nfs/dbraw/zinc/46/58/00/700465800.db2.gz ZGRGYYMPFRAVJH-TXEJJXNPSA-N 1 2 321.333 1.197 20 5 DDBDLO Nc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000753896688 700465801 /nfs/dbraw/zinc/46/58/01/700465801.db2.gz ZGRGYYMPFRAVJH-TXEJJXNPSA-N 1 2 321.333 1.197 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000758062235 700682692 /nfs/dbraw/zinc/68/26/92/700682692.db2.gz IDUOFQROCCIQLA-JTQLQIEISA-N 1 2 316.321 1.246 20 5 DDBDLO COC(=O)C[C@@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCOC1 ZINC000770678353 701289489 /nfs/dbraw/zinc/28/94/89/701289489.db2.gz ZVORZJKZRMNCOL-HNNXBMFYSA-N 1 2 324.333 1.502 20 5 DDBDLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000771630392 701326013 /nfs/dbraw/zinc/32/60/13/701326013.db2.gz LRIDKDHXECOFAV-NSHDSACASA-N 1 2 310.354 1.660 20 5 DDBDLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000771630392 701326015 /nfs/dbraw/zinc/32/60/15/701326015.db2.gz LRIDKDHXECOFAV-NSHDSACASA-N 1 2 310.354 1.660 20 5 DDBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000840114810 701975266 /nfs/dbraw/zinc/97/52/66/701975266.db2.gz UGNOLZIVDVIJFG-CYBMUJFWSA-N 1 2 312.276 1.604 20 5 DDBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000840114810 701975273 /nfs/dbraw/zinc/97/52/73/701975273.db2.gz UGNOLZIVDVIJFG-CYBMUJFWSA-N 1 2 312.276 1.604 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000816972898 702251006 /nfs/dbraw/zinc/25/10/06/702251006.db2.gz ACOZEGSMTQEQIG-UHFFFAOYSA-N 1 2 302.290 1.150 20 5 DDBDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000842047174 702663353 /nfs/dbraw/zinc/66/33/53/702663353.db2.gz MBSCKAZJYXKZJL-UWVGGRQHSA-N 1 2 315.320 1.764 20 5 DDBDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000842047174 702663356 /nfs/dbraw/zinc/66/33/56/702663356.db2.gz MBSCKAZJYXKZJL-UWVGGRQHSA-N 1 2 315.320 1.764 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOCC[C@@H]2C)c1 ZINC000844314398 703011629 /nfs/dbraw/zinc/01/16/29/703011629.db2.gz PMMMCKWEFZHYRY-NSHDSACASA-N 1 2 308.334 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOCC[C@@H]2C)c1 ZINC000844314398 703011632 /nfs/dbraw/zinc/01/16/32/703011632.db2.gz PMMMCKWEFZHYRY-NSHDSACASA-N 1 2 308.334 1.992 20 5 DDBDLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853585765 704276020 /nfs/dbraw/zinc/27/60/20/704276020.db2.gz SQLDILKXHRNFRW-CQSZACIVSA-N 1 2 301.350 1.960 20 5 DDBDLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853585765 704276021 /nfs/dbraw/zinc/27/60/21/704276021.db2.gz SQLDILKXHRNFRW-CQSZACIVSA-N 1 2 301.350 1.960 20 5 DDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000874704026 705137647 /nfs/dbraw/zinc/13/76/47/705137647.db2.gz UFUOFYDWMNXVIX-ZDUSSCGKSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000874704026 705137649 /nfs/dbraw/zinc/13/76/49/705137649.db2.gz UFUOFYDWMNXVIX-ZDUSSCGKSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000876772818 705869240 /nfs/dbraw/zinc/86/92/40/705869240.db2.gz IROUPDAQOCWSSE-ZDUSSCGKSA-N 1 2 321.377 1.237 20 5 DDBDLO Cc1ccc(NCCCNC(=O)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000828454204 706182840 /nfs/dbraw/zinc/18/28/40/706182840.db2.gz PUJZUVPLKFPRMW-UHFFFAOYSA-N 1 2 317.349 1.787 20 5 DDBDLO C[S@@](=N)(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877789360 706213696 /nfs/dbraw/zinc/21/36/96/706213696.db2.gz MHPDCDHUIMEXRI-NRFANRHFSA-N 1 2 312.395 1.346 20 5 DDBDLO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000872053694 707286386 /nfs/dbraw/zinc/28/63/86/707286386.db2.gz ZCLSADNVLUSXDB-BDAKNGLRSA-N 1 2 304.343 1.818 20 5 DDBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1csc([N+](=O)[O-])c1 ZINC000898488683 708654263 /nfs/dbraw/zinc/65/42/63/708654263.db2.gz IUNBKPPRTGTHLL-SNVBAGLBSA-N 1 2 301.343 1.820 20 5 DDBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1csc([N+](=O)[O-])c1 ZINC000898488683 708654266 /nfs/dbraw/zinc/65/42/66/708654266.db2.gz IUNBKPPRTGTHLL-SNVBAGLBSA-N 1 2 301.343 1.820 20 5 DDBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886207922 708715074 /nfs/dbraw/zinc/71/50/74/708715074.db2.gz PORGERJFBHSLKH-GFCCVEGCSA-N 1 2 308.338 1.700 20 5 DDBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886207922 708715075 /nfs/dbraw/zinc/71/50/75/708715075.db2.gz PORGERJFBHSLKH-GFCCVEGCSA-N 1 2 308.338 1.700 20 5 DDBDLO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000898832569 708882932 /nfs/dbraw/zinc/88/29/32/708882932.db2.gz MJWJACLITZKRSY-KBPBESRZSA-N 1 2 319.361 1.903 20 5 DDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000928637024 713244380 /nfs/dbraw/zinc/24/43/80/713244380.db2.gz RWPQHZYDCSRFSQ-AWEZNQCLSA-N 1 2 321.377 1.744 20 5 DDBDLO C[C@@H]1COC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000928891035 713505476 /nfs/dbraw/zinc/50/54/76/713505476.db2.gz QGRAHYJCFFOCTO-ZYHUDNBSSA-N 1 2 316.317 1.545 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933900658 714696798 /nfs/dbraw/zinc/69/67/98/714696798.db2.gz ZERFOCVLVAJKDW-CYBMUJFWSA-N 1 2 308.334 1.941 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933900658 714696799 /nfs/dbraw/zinc/69/67/99/714696799.db2.gz ZERFOCVLVAJKDW-CYBMUJFWSA-N 1 2 308.334 1.941 20 5 DDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775875 736853693 /nfs/dbraw/zinc/85/36/93/736853693.db2.gz PDKAKJNTODKMKZ-MNTFUVPPSA-N 1 2 320.176 1.017 20 5 DDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775875 736853703 /nfs/dbraw/zinc/85/37/03/736853703.db2.gz PDKAKJNTODKMKZ-MNTFUVPPSA-N 1 2 320.176 1.017 20 5 DDBDLO O=C(NC1C[NH+](Cc2ccc(C3CC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294181 744027279 /nfs/dbraw/zinc/02/72/79/744027279.db2.gz ZUMVZBSLLKUBFF-HZPDHXFCSA-N 1 2 315.373 1.530 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCC2)COC1 ZINC001168443039 744902563 /nfs/dbraw/zinc/90/25/63/744902563.db2.gz WUGZYBGEDHIIQL-UHFFFAOYSA-N 1 2 308.338 1.275 20 5 DDBDLO COc1ccc([N+](=O)[O-])nc1NCC1([NH+]2CCCC2)COC1 ZINC001168444930 744963883 /nfs/dbraw/zinc/96/38/83/744963883.db2.gz MZPCKGURWPVSGB-UHFFFAOYSA-N 1 2 308.338 1.275 20 5 DDBDLO O=C1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccccc1 ZINC001169037788 762192785 /nfs/dbraw/zinc/19/27/85/762192785.db2.gz UGJLNPJNBSGDRA-ZFWWWQNUSA-N 1 2 303.362 1.781 20 5 DDBDLO O=C1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccccc1 ZINC001169037788 762192787 /nfs/dbraw/zinc/19/27/87/762192787.db2.gz UGJLNPJNBSGDRA-ZFWWWQNUSA-N 1 2 303.362 1.781 20 5 DDBDLO O=C(Cn1cc[nH+]c1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093700630 775019863 /nfs/dbraw/zinc/01/98/63/775019863.db2.gz CQJJGFQXJHDCSB-UHFFFAOYSA-N 1 2 307.285 1.159 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093777028 775101415 /nfs/dbraw/zinc/10/14/15/775101415.db2.gz ROOZNDOCJUNFCO-UHFFFAOYSA-N 1 2 318.337 1.101 20 5 DDBDLO CC(=O)N(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001102409482 778118766 /nfs/dbraw/zinc/11/87/66/778118766.db2.gz CCEZSTYEKUKQTA-UHFFFAOYSA-N 1 2 306.366 1.195 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778474 778235593 /nfs/dbraw/zinc/23/55/93/778235593.db2.gz VNKUXGPAFFOHOV-AEGPPILISA-N 1 2 309.341 1.356 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778474 778235601 /nfs/dbraw/zinc/23/56/01/778235601.db2.gz VNKUXGPAFFOHOV-AEGPPILISA-N 1 2 309.341 1.356 20 5 DDBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330208919 864158512 /nfs/dbraw/zinc/15/85/12/864158512.db2.gz VUNSQYPPOJJLLW-LBPRGKRZSA-N 1 2 312.329 1.896 20 5 DDBDLO CC[NH+](CC)Cc1csc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC001332873050 866206315 /nfs/dbraw/zinc/20/63/15/866206315.db2.gz SLODAYNSNACNDF-UHFFFAOYSA-N 1 2 324.366 1.869 20 5 DDBDLO C[N@@H+]1CCO[C@@H](COc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225848079 882068185 /nfs/dbraw/zinc/06/81/85/882068185.db2.gz VVXZFJIHKMSVJU-SECBINFHSA-N 1 2 321.255 1.718 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225848079 882068195 /nfs/dbraw/zinc/06/81/95/882068195.db2.gz VVXZFJIHKMSVJU-SECBINFHSA-N 1 2 321.255 1.718 20 5 DDBDLO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1[N+](=O)[O-] ZINC001307224790 871412079 /nfs/dbraw/zinc/41/20/79/871412079.db2.gz NGRBMYCIWOSTJI-UWVGGRQHSA-N 1 2 324.312 1.009 20 5 DDBDLO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1[N+](=O)[O-] ZINC001307224790 871412091 /nfs/dbraw/zinc/41/20/91/871412091.db2.gz NGRBMYCIWOSTJI-UWVGGRQHSA-N 1 2 324.312 1.009 20 5 DDBDLO C[C@@H](c1ncccn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001341393700 871638321 /nfs/dbraw/zinc/63/83/21/871638321.db2.gz SPAFTQRSLDWRED-NSHDSACASA-N 1 2 302.338 1.979 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001350511013 875735436 /nfs/dbraw/zinc/73/54/36/875735436.db2.gz IYUUGJBZVRGJTB-UONOGXRCSA-N 1 2 314.345 1.791 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CCC1(O)CCC1)C2 ZINC001354431385 877981163 /nfs/dbraw/zinc/98/11/63/877981163.db2.gz MGNFYPLCXNNYQU-HNNXBMFYSA-N 1 2 306.362 1.967 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CCC1(O)CCC1)C2 ZINC001354431385 877981175 /nfs/dbraw/zinc/98/11/75/877981175.db2.gz MGNFYPLCXNNYQU-HNNXBMFYSA-N 1 2 306.362 1.967 20 5 DDBDLO CCOC(=O)c1ccc(COC2C[NH+](CC)C2)c([N+](=O)[O-])c1 ZINC001223965345 881165397 /nfs/dbraw/zinc/16/53/97/881165397.db2.gz ZYUHIUFMIALTPH-UHFFFAOYSA-N 1 2 308.334 1.992 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228933447 883736569 /nfs/dbraw/zinc/73/65/69/883736569.db2.gz FNBLMDNXVZXTBS-VIFPVBQESA-N 1 2 301.730 1.743 20 5 DDBDLO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H](C)C[NH+]1CCOCC1 ZINC001230248267 884389064 /nfs/dbraw/zinc/38/90/64/884389064.db2.gz YSIVVOHEIFZFOC-LLVKDONJSA-N 1 2 323.349 1.653 20 5 DDBDLO CC(=O)c1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001233495681 887040537 /nfs/dbraw/zinc/04/05/37/887040537.db2.gz JVSLKTCKFMFMJX-AMKSKSKJSA-N 1 2 318.329 1.980 20 5 DDBDLO CC(=O)c1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ccc1[N+](=O)[O-] ZINC001233495681 887040546 /nfs/dbraw/zinc/04/05/46/887040546.db2.gz JVSLKTCKFMFMJX-AMKSKSKJSA-N 1 2 318.329 1.980 20 5 DDBDLO C[C@@H]1CC(=O)NN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001290610881 913477988 /nfs/dbraw/zinc/47/79/88/913477988.db2.gz WWAISVJLQUPMJJ-SECBINFHSA-N 1 2 315.289 1.046 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249566310 282174376 /nfs/dbraw/zinc/17/43/76/282174376.db2.gz NDGKGVRBLRMTFZ-GXFFZTMASA-N 1 2 307.350 1.689 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249566310 282174380 /nfs/dbraw/zinc/17/43/80/282174380.db2.gz NDGKGVRBLRMTFZ-GXFFZTMASA-N 1 2 307.350 1.689 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000492141733 529785444 /nfs/dbraw/zinc/78/54/44/529785444.db2.gz BWHGJLZFLXUGCH-JBZXTQMFSA-N 1 2 317.345 1.149 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000492141733 529785445 /nfs/dbraw/zinc/78/54/45/529785445.db2.gz BWHGJLZFLXUGCH-JBZXTQMFSA-N 1 2 317.345 1.149 20 5 DDBDLO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000181900800 186216526 /nfs/dbraw/zinc/21/65/26/186216526.db2.gz QCFFUEHFHQWLAG-UHFFFAOYSA-N 1 2 319.361 1.905 20 5 DDBDLO NC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237882 198063333 /nfs/dbraw/zinc/06/33/33/198063333.db2.gz MORKWMGCSJFDCZ-UHFFFAOYSA-N 1 2 312.757 1.835 20 5 DDBDLO NC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237882 198063334 /nfs/dbraw/zinc/06/33/34/198063334.db2.gz MORKWMGCSJFDCZ-UHFFFAOYSA-N 1 2 312.757 1.835 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)n1 ZINC000617404960 363089758 /nfs/dbraw/zinc/08/97/58/363089758.db2.gz AMLBAVNEUFXJSJ-UHFFFAOYSA-N 1 2 317.305 1.110 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000014927191 352151800 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CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000052669150 352622058 /nfs/dbraw/zinc/62/20/58/352622058.db2.gz BKJDVTKZYPBPGP-GFCCVEGCSA-N 1 2 313.379 1.108 20 5 DDBDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000052669150 352622062 /nfs/dbraw/zinc/62/20/62/352622062.db2.gz BKJDVTKZYPBPGP-GFCCVEGCSA-N 1 2 313.379 1.108 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000331877542 234226858 /nfs/dbraw/zinc/22/68/58/234226858.db2.gz HZPRJGGMSSCHIM-BMFZPTHFSA-N 1 2 322.361 1.662 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000331877542 234226862 /nfs/dbraw/zinc/22/68/62/234226862.db2.gz HZPRJGGMSSCHIM-BMFZPTHFSA-N 1 2 322.361 1.662 20 5 DDBDLO CC(C)NC(=O)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000068660277 353124385 /nfs/dbraw/zinc/12/43/85/353124385.db2.gz LIMJSQXVVUTJLZ-UHFFFAOYSA-N 1 2 324.356 1.381 20 5 DDBDLO Cc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000076510678 353424088 /nfs/dbraw/zinc/42/40/88/353424088.db2.gz FGUYEGGMFRIABN-UHFFFAOYSA-N 1 2 320.393 1.550 20 5 DDBDLO CCc1nn(C)c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000094155976 353911987 /nfs/dbraw/zinc/91/19/87/353911987.db2.gz ORGLWWYWUITFQS-MNOVXSKESA-N 1 2 311.386 1.412 20 5 DDBDLO NC(=O)c1ccnc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000357233989 291024741 /nfs/dbraw/zinc/02/47/41/291024741.db2.gz FQRDUBOWVDPVKW-UHFFFAOYSA-N 1 2 312.289 1.349 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051769 354879554 /nfs/dbraw/zinc/87/95/54/354879554.db2.gz UEJBFLHQJGABLT-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587061846 354879975 /nfs/dbraw/zinc/87/99/75/354879975.db2.gz JRPNGPFOVOLUBU-GFCCVEGCSA-N 1 2 300.318 1.465 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593064040 355784533 /nfs/dbraw/zinc/78/45/33/355784533.db2.gz MTKNGAYHSAHEFD-WDEREUQCSA-N 1 2 306.322 1.053 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593064040 355784539 /nfs/dbraw/zinc/78/45/39/355784539.db2.gz MTKNGAYHSAHEFD-WDEREUQCSA-N 1 2 306.322 1.053 20 5 DDBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000078511002 191876800 /nfs/dbraw/zinc/87/68/00/191876800.db2.gz SILKMQGLQNSLQX-OLZOCXBDSA-N 1 2 321.377 1.363 20 5 DDBDLO COc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000565182634 304049051 /nfs/dbraw/zinc/04/90/51/304049051.db2.gz QQMPKHGBBXSCIV-JTQLQIEISA-N 1 2 318.333 1.822 20 5 DDBDLO COc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000565182634 304049052 /nfs/dbraw/zinc/04/90/52/304049052.db2.gz QQMPKHGBBXSCIV-JTQLQIEISA-N 1 2 318.333 1.822 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nncn2C)CC1 ZINC000594022680 356092054 /nfs/dbraw/zinc/09/20/54/356092054.db2.gz MCMBSMZJKFGOAY-GFCCVEGCSA-N 1 2 316.365 1.607 20 5 DDBDLO COc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594957108 356364176 /nfs/dbraw/zinc/36/41/76/356364176.db2.gz MUFZORVXQVXTOM-GXSJLCMTSA-N 1 2 303.322 1.991 20 5 DDBDLO Cc1noc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000595466286 356504046 /nfs/dbraw/zinc/50/40/46/356504046.db2.gz JYCNUCQPVUYWFD-IINYFYTJSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000595466286 356504049 /nfs/dbraw/zinc/50/40/49/356504049.db2.gz JYCNUCQPVUYWFD-IINYFYTJSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595493940 356517461 /nfs/dbraw/zinc/51/74/61/356517461.db2.gz XMZUZHVRBRTWHI-DTWKUNHWSA-N 1 2 323.271 1.884 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595493940 356517466 /nfs/dbraw/zinc/51/74/66/356517466.db2.gz XMZUZHVRBRTWHI-DTWKUNHWSA-N 1 2 323.271 1.884 20 5 DDBDLO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000601347967 358510276 /nfs/dbraw/zinc/51/02/76/358510276.db2.gz NUSGJJHDFDCKEJ-CABZTGNLSA-N 1 2 311.313 1.183 20 5 DDBDLO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000601347967 358510280 /nfs/dbraw/zinc/51/02/80/358510280.db2.gz NUSGJJHDFDCKEJ-CABZTGNLSA-N 1 2 311.313 1.183 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000596452099 356883763 /nfs/dbraw/zinc/88/37/63/356883763.db2.gz CEBGGYMBGUGCBU-VXGBXAGGSA-N 1 2 322.365 1.826 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000596452099 356883766 /nfs/dbraw/zinc/88/37/66/356883766.db2.gz CEBGGYMBGUGCBU-VXGBXAGGSA-N 1 2 322.365 1.826 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000597998666 357414268 /nfs/dbraw/zinc/41/42/68/357414268.db2.gz PYUGSFHHCLEGPQ-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000597998666 357414273 /nfs/dbraw/zinc/41/42/73/357414273.db2.gz PYUGSFHHCLEGPQ-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598466085 357593728 /nfs/dbraw/zinc/59/37/28/357593728.db2.gz WTAQEJZKTMDWMY-SECBINFHSA-N 1 2 306.297 1.887 20 5 DDBDLO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000598511912 357610534 /nfs/dbraw/zinc/61/05/34/357610534.db2.gz UTWMPRFRLZQWBD-GFCCVEGCSA-N 1 2 315.333 1.322 20 5 DDBDLO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000598511912 357610538 /nfs/dbraw/zinc/61/05/38/357610538.db2.gz UTWMPRFRLZQWBD-GFCCVEGCSA-N 1 2 315.333 1.322 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651733 357671634 /nfs/dbraw/zinc/67/16/34/357671634.db2.gz VIQJFMACWZHZMK-DGCLKSJQSA-N 1 2 321.377 1.792 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651733 357671637 /nfs/dbraw/zinc/67/16/37/357671637.db2.gz VIQJFMACWZHZMK-DGCLKSJQSA-N 1 2 321.377 1.792 20 5 DDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944679 357768298 /nfs/dbraw/zinc/76/82/98/357768298.db2.gz SSVAPAJDOPWWBV-NSHDSACASA-N 1 2 316.317 1.301 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@](O)(CO)C1 ZINC000599087502 357811441 /nfs/dbraw/zinc/81/14/41/357811441.db2.gz IFUSDXBYOCGOMM-OAHLLOKOSA-N 1 2 303.318 1.467 20 5 DDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H](CO)[C@H](CO)C3)c2c1 ZINC000599127720 357823421 /nfs/dbraw/zinc/82/34/21/357823421.db2.gz NKMZXQIBHIAGPN-RYUDHWBXSA-N 1 2 303.318 1.180 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000599510254 357959928 /nfs/dbraw/zinc/95/99/28/357959928.db2.gz VGLZAZBGWCVOLP-UHFFFAOYSA-N 1 2 300.322 1.102 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000348104295 283370288 /nfs/dbraw/zinc/37/02/88/283370288.db2.gz ASPPLVCHHQZYHE-SECBINFHSA-N 1 2 319.321 1.966 20 5 DDBDLO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000601101930 358402668 /nfs/dbraw/zinc/40/26/68/358402668.db2.gz ZBDJBTHDOXRRAS-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO 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CC(C)C[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000318602230 528001161 /nfs/dbraw/zinc/00/11/61/528001161.db2.gz VXUSNSASIHUIKO-UHFFFAOYSA-N 1 2 307.350 1.714 20 5 DDBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000746466127 700025409 /nfs/dbraw/zinc/02/54/09/700025409.db2.gz BQBXKUYOSCJOSG-OAQYLSRUSA-N 1 2 311.407 1.091 20 5 DDBDLO CO[C@@H](C)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155548592 696950143 /nfs/dbraw/zinc/95/01/43/696950143.db2.gz GYJNNASNYVLTBC-JTQLQIEISA-N 1 2 305.290 1.972 20 5 DDBDLO CCN(CC)C(=O)C1([NH2+]Cn2nccc2[N+](=O)[O-])CCCCC1 ZINC000161176232 697321910 /nfs/dbraw/zinc/32/19/10/697321910.db2.gz JREVKKIZJOPIRA-UHFFFAOYSA-N 1 2 323.397 1.910 20 5 DDBDLO C[N@H+](C[C@@H]1CCOC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000176102211 697401605 /nfs/dbraw/zinc/40/16/05/697401605.db2.gz KBCFIBYYFZBOTI-JTQLQIEISA-N 1 2 319.317 1.117 20 5 DDBDLO C[N@@H+](C[C@@H]1CCOC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000176102211 697401607 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20 5 DDBDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000778506593 698343083 /nfs/dbraw/zinc/34/30/83/698343083.db2.gz QCCDXGKILZKGMK-SNVBAGLBSA-N 1 2 313.304 1.849 20 5 DDBDLO CC[N@@H+](Cc1cn(C)nn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782101789 698683796 /nfs/dbraw/zinc/68/37/96/698683796.db2.gz DFTUIBWLFJSIHR-AWEZNQCLSA-N 1 2 305.338 1.279 20 5 DDBDLO CC[N@H+](Cc1cn(C)nn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782101789 698683798 /nfs/dbraw/zinc/68/37/98/698683798.db2.gz DFTUIBWLFJSIHR-AWEZNQCLSA-N 1 2 305.338 1.279 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782569884 698739638 /nfs/dbraw/zinc/73/96/38/698739638.db2.gz DMRAANDQJHYQRY-GJZGRUSLSA-N 1 2 321.377 1.475 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782569884 698739640 /nfs/dbraw/zinc/73/96/40/698739640.db2.gz DMRAANDQJHYQRY-GJZGRUSLSA-N 1 2 321.377 1.475 20 5 DDBDLO COC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 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BZFHJVXPMUPJBJ-OLZOCXBDSA-N 1 2 322.361 1.962 20 5 DDBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000771950289 701338112 /nfs/dbraw/zinc/33/81/12/701338112.db2.gz KUHTVZDYQLVCSP-UHFFFAOYSA-N 1 2 319.273 1.420 20 5 DDBDLO Cc1nn(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000840187355 702019495 /nfs/dbraw/zinc/01/94/95/702019495.db2.gz VNUIJVWWPMYTAA-GFCCVEGCSA-N 1 2 309.370 1.355 20 5 DDBDLO Cc1nn(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000840187355 702019502 /nfs/dbraw/zinc/01/95/02/702019502.db2.gz VNUIJVWWPMYTAA-GFCCVEGCSA-N 1 2 309.370 1.355 20 5 DDBDLO O=C(NCCCn1cc[nH+]c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823534787 705262840 /nfs/dbraw/zinc/26/28/40/705262840.db2.gz VRPUVDBAUDIPOT-CYBMUJFWSA-N 1 2 304.306 1.031 20 5 DDBDLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072178 707288071 /nfs/dbraw/zinc/28/80/71/707288071.db2.gz AYIKATQMXASDSJ-SECBINFHSA-N 1 2 319.358 1.276 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830787286 706579454 /nfs/dbraw/zinc/57/94/54/706579454.db2.gz RKVXWCWXQYXNRG-LBPRGKRZSA-N 1 2 301.387 1.001 20 5 DDBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000882529080 707684500 /nfs/dbraw/zinc/68/45/00/707684500.db2.gz ROOFUAQARQPIOH-GFCCVEGCSA-N 1 2 305.334 1.053 20 5 DDBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000882529080 707684501 /nfs/dbraw/zinc/68/45/01/707684501.db2.gz ROOFUAQARQPIOH-GFCCVEGCSA-N 1 2 305.334 1.053 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000891537069 710229835 /nfs/dbraw/zinc/22/98/35/710229835.db2.gz YOKCPZHNLCQUQG-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C ZINC000895738305 711591425 /nfs/dbraw/zinc/59/14/25/711591425.db2.gz UZKHNYMYWRYUTK-ONGXEEELSA-N 1 2 313.379 1.503 20 5 DDBDLO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+]1C ZINC000895738305 711591427 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DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933896746 714695685 /nfs/dbraw/zinc/69/56/85/714695685.db2.gz OVXSAQBFRVBELN-ZDUSSCGKSA-N 1 2 308.334 1.941 20 5 DDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCS(=O)CC1 ZINC001167685323 735672213 /nfs/dbraw/zinc/67/22/13/735672213.db2.gz JEJMBGPXZCKQMN-UHFFFAOYSA-N 1 2 322.390 1.814 20 5 DDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCS(=O)CC1 ZINC001167685323 735672216 /nfs/dbraw/zinc/67/22/16/735672216.db2.gz JEJMBGPXZCKQMN-UHFFFAOYSA-N 1 2 322.390 1.814 20 5 DDBDLO CC(C)c1cnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001020140091 736998571 /nfs/dbraw/zinc/99/85/71/736998571.db2.gz YGMDYIWWBGHMHK-DDHJBXDOSA-N 1 2 322.365 1.200 20 5 DDBDLO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001109633609 763884422 /nfs/dbraw/zinc/88/44/22/763884422.db2.gz KDGGXXFTZBZLPK-UHFFFAOYSA-N 1 2 318.337 1.216 20 5 DDBDLO O=C(CCn1cc[nH+]c1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094024590 775349278 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C[C@@H]1OCC[C@]12C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000602645778 359096084 /nfs/dbraw/zinc/09/60/84/359096084.db2.gz ZVMIOFDGQIZROB-SUNKGSAMSA-N 1 2 310.354 1.097 20 5 DDBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000602645778 359096089 /nfs/dbraw/zinc/09/60/89/359096089.db2.gz ZVMIOFDGQIZROB-SUNKGSAMSA-N 1 2 310.354 1.097 20 5 DDBDLO Cn1cc(C[N@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])n1 ZINC000602648949 359098995 /nfs/dbraw/zinc/09/89/95/359098995.db2.gz FOBIQMWNEATVGU-UHFFFAOYSA-N 1 2 302.338 1.351 20 5 DDBDLO Cn1cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])n1 ZINC000602648949 359099000 /nfs/dbraw/zinc/09/90/00/359099000.db2.gz FOBIQMWNEATVGU-UHFFFAOYSA-N 1 2 302.338 1.351 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818307 359212941 /nfs/dbraw/zinc/21/29/41/359212941.db2.gz MUJJQQRQEHGFSX-CMPLNLGQSA-N 1 2 310.354 1.373 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818307 359212946 /nfs/dbraw/zinc/21/29/46/359212946.db2.gz MUJJQQRQEHGFSX-CMPLNLGQSA-N 1 2 310.354 1.373 20 5 DDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085174 359394247 /nfs/dbraw/zinc/39/42/47/359394247.db2.gz CGACAYZCIOGSKZ-BXKDBHETSA-N 1 2 313.151 1.924 20 5 DDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085174 359394249 /nfs/dbraw/zinc/39/42/49/359394249.db2.gz CGACAYZCIOGSKZ-BXKDBHETSA-N 1 2 313.151 1.924 20 5 DDBDLO Cc1ccc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1[N+](=O)[O-] ZINC000281277022 216204900 /nfs/dbraw/zinc/20/49/00/216204900.db2.gz WOTADMBJZKVISQ-CQSZACIVSA-N 1 2 317.349 1.878 20 5 DDBDLO Cn1c[nH+]c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000618903879 363789812 /nfs/dbraw/zinc/78/98/12/363789812.db2.gz ABUTZGXQZHTRNP-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO Cn1cnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000618903879 363789814 /nfs/dbraw/zinc/78/98/14/363789814.db2.gz ABUTZGXQZHTRNP-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000613946481 361638642 /nfs/dbraw/zinc/63/86/42/361638642.db2.gz ZITPSKNYAKUIEE-NSHDSACASA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000613946481 361638646 /nfs/dbraw/zinc/63/86/46/361638646.db2.gz ZITPSKNYAKUIEE-NSHDSACASA-N 1 2 305.334 1.515 20 5 DDBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])cnc3N)ccc2[nH+]1 ZINC000351111874 284302962 /nfs/dbraw/zinc/30/29/62/284302962.db2.gz GDLBWGOKTXLWPW-UHFFFAOYSA-N 1 2 312.289 1.780 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266049598 205056921 /nfs/dbraw/zinc/05/69/21/205056921.db2.gz AKNPFMMKFROJJU-UHFFFAOYSA-N 1 2 307.350 1.307 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000267897821 206326841 /nfs/dbraw/zinc/32/68/41/206326841.db2.gz WYOSKFSPEIRCNJ-CYBMUJFWSA-N 1 2 307.350 1.689 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000267897821 206326846 /nfs/dbraw/zinc/32/68/46/206326846.db2.gz WYOSKFSPEIRCNJ-CYBMUJFWSA-N 1 2 307.350 1.689 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340992612 251323008 /nfs/dbraw/zinc/32/30/08/251323008.db2.gz NIMCABNANJMBNF-VIFPVBQESA-N 1 2 315.333 1.438 20 5 DDBDLO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340992612 251323012 /nfs/dbraw/zinc/32/30/12/251323012.db2.gz NIMCABNANJMBNF-VIFPVBQESA-N 1 2 315.333 1.438 20 5 DDBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352884848 285360136 /nfs/dbraw/zinc/36/01/36/285360136.db2.gz SAFSYYOVSLQKAX-NSHDSACASA-N 1 2 313.379 1.061 20 5 DDBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352884848 285360139 /nfs/dbraw/zinc/36/01/39/285360139.db2.gz SAFSYYOVSLQKAX-NSHDSACASA-N 1 2 313.379 1.061 20 5 DDBDLO COc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000494310863 533563088 /nfs/dbraw/zinc/56/30/88/533563088.db2.gz DRMZIMXXZRWAMQ-GFCCVEGCSA-N 1 2 321.333 1.630 20 5 DDBDLO COc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000494310863 533563091 /nfs/dbraw/zinc/56/30/91/533563091.db2.gz DRMZIMXXZRWAMQ-GFCCVEGCSA-N 1 2 321.333 1.630 20 5 DDBDLO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000569082026 304334841 /nfs/dbraw/zinc/33/48/41/304334841.db2.gz UDYRWGPBKQOJGL-UHFFFAOYSA-N 1 2 321.333 1.188 20 5 DDBDLO COc1cc(C[N@@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1OC ZINC000421396596 286220060 /nfs/dbraw/zinc/22/00/60/286220060.db2.gz KUQPKYFOCLSPSB-OAHLLOKOSA-N 1 2 308.334 1.977 20 5 DDBDLO COc1cc(C[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1OC ZINC000421396596 286220061 /nfs/dbraw/zinc/22/00/61/286220061.db2.gz KUQPKYFOCLSPSB-OAHLLOKOSA-N 1 2 308.334 1.977 20 5 DDBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000114338995 407560155 /nfs/dbraw/zinc/56/01/55/407560155.db2.gz YQCDRPKADBQEKM-UHFFFAOYSA-N 1 2 301.306 1.822 20 5 DDBDLO NC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000077168384 406979167 /nfs/dbraw/zinc/97/91/67/406979167.db2.gz QWZBTKVAUUBINK-UHFFFAOYSA-N 1 2 320.349 1.121 20 5 DDBDLO COc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000051535265 407141688 /nfs/dbraw/zinc/14/16/88/407141688.db2.gz NWQXLQWXLRZVLN-NSHDSACASA-N 1 2 314.363 1.222 20 5 DDBDLO COc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000051535265 407141691 /nfs/dbraw/zinc/14/16/91/407141691.db2.gz NWQXLQWXLRZVLN-NSHDSACASA-N 1 2 314.363 1.222 20 5 DDBDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883663 407155189 /nfs/dbraw/zinc/15/51/89/407155189.db2.gz WHDJBLVMPFTEPJ-CYBMUJFWSA-N 1 2 316.317 1.700 20 5 DDBDLO NC(=O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883663 407155193 /nfs/dbraw/zinc/15/51/93/407155193.db2.gz WHDJBLVMPFTEPJ-CYBMUJFWSA-N 1 2 316.317 1.700 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(CC(F)F)CC2)c1 ZINC000057911939 407217875 /nfs/dbraw/zinc/21/78/75/407217875.db2.gz ISYHBFVSVJXGJH-UHFFFAOYSA-N 1 2 315.320 1.856 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000061513174 407228273 /nfs/dbraw/zinc/22/82/73/407228273.db2.gz KKLYADAAPGICMM-UHFFFAOYSA-N 1 2 304.306 1.609 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101950868 407318131 /nfs/dbraw/zinc/31/81/31/407318131.db2.gz RLKIGBFXSFWZPB-UHFFFAOYSA-N 1 2 317.305 1.369 20 5 DDBDLO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000266898454 407664887 /nfs/dbraw/zinc/66/48/87/407664887.db2.gz HKZBSILQCIBEAL-UHFFFAOYSA-N 1 2 305.338 1.202 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000266898454 407664892 /nfs/dbraw/zinc/66/48/92/407664892.db2.gz HKZBSILQCIBEAL-UHFFFAOYSA-N 1 2 305.338 1.202 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@@H+]1C1CC1 ZINC000133602913 407863659 /nfs/dbraw/zinc/86/36/59/407863659.db2.gz OWUXTWUPTPOZQW-GXSJLCMTSA-N 1 2 305.334 1.655 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@H+]1C1CC1 ZINC000133602913 407863666 /nfs/dbraw/zinc/86/36/66/407863666.db2.gz OWUXTWUPTPOZQW-GXSJLCMTSA-N 1 2 305.334 1.655 20 5 DDBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC000189462753 408023903 /nfs/dbraw/zinc/02/39/03/408023903.db2.gz TVULZXNGOXWJLV-JTQLQIEISA-N 1 2 320.267 1.971 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)CC(C)C ZINC000175083987 408045096 /nfs/dbraw/zinc/04/50/96/408045096.db2.gz IZKRIZHUSUFNAL-UHFFFAOYSA-N 1 2 309.366 1.937 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)CC(C)C ZINC000175083987 408045102 /nfs/dbraw/zinc/04/51/02/408045102.db2.gz IZKRIZHUSUFNAL-UHFFFAOYSA-N 1 2 309.366 1.937 20 5 DDBDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245519680 408006429 /nfs/dbraw/zinc/00/64/29/408006429.db2.gz IUSSEKRPYLKWPD-BXUZGUMPSA-N 1 2 308.334 1.838 20 5 DDBDLO COC(=O)[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245519680 408006432 /nfs/dbraw/zinc/00/64/32/408006432.db2.gz IUSSEKRPYLKWPD-BXUZGUMPSA-N 1 2 308.334 1.838 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000170885650 162197517 /nfs/dbraw/zinc/19/75/17/162197517.db2.gz XIPGJUHTZBDXMG-ZYHUDNBSSA-N 1 2 322.365 1.137 20 5 DDBDLO COc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000176393750 408354732 /nfs/dbraw/zinc/35/47/32/408354732.db2.gz OKEAGGSDIAPFHS-NSHDSACASA-N 1 2 318.333 1.866 20 5 DDBDLO COCC[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269638466 408370716 /nfs/dbraw/zinc/37/07/16/408370716.db2.gz NIDSSOWOXANQSB-UHFFFAOYSA-N 1 2 301.293 1.641 20 5 DDBDLO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cn1cc[nH+]c1 ZINC000176829126 408452760 /nfs/dbraw/zinc/45/27/60/408452760.db2.gz DNEQCCPXGRIDGY-JTQLQIEISA-N 1 2 303.322 1.440 20 5 DDBDLO Nc1nc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000269871790 408454573 /nfs/dbraw/zinc/45/45/73/408454573.db2.gz NEQWJLYYOXQWDK-SECBINFHSA-N 1 2 301.310 1.053 20 5 DDBDLO Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000264172518 408390708 /nfs/dbraw/zinc/39/07/08/408390708.db2.gz ACGKAAKWCBAZMK-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000264210397 408405397 /nfs/dbraw/zinc/40/53/97/408405397.db2.gz RRGJBHMUQYCPLQ-JTQLQIEISA-N 1 2 303.322 1.889 20 5 DDBDLO CC(C)(C(=O)NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000265684255 408744995 /nfs/dbraw/zinc/74/49/95/408744995.db2.gz CVMKDDKCWJJJBX-UHFFFAOYSA-N 1 2 302.334 1.885 20 5 DDBDLO CCOCC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000277532259 408958812 /nfs/dbraw/zinc/95/88/12/408958812.db2.gz OZXLMVZXGDUIJG-ZDUSSCGKSA-N 1 2 310.350 1.445 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000279287213 409185283 /nfs/dbraw/zinc/18/52/83/409185283.db2.gz LCDJLANXDNBCCM-UHFFFAOYSA-N 1 2 321.377 1.778 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000279287213 409185278 /nfs/dbraw/zinc/18/52/78/409185278.db2.gz LCDJLANXDNBCCM-UHFFFAOYSA-N 1 2 321.377 1.778 20 5 DDBDLO COc1c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000356908494 409712209 /nfs/dbraw/zinc/71/22/09/409712209.db2.gz VOSZXYGAGZJTPS-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000296999109 409752073 /nfs/dbraw/zinc/75/20/73/409752073.db2.gz QHSPSBWJGFGCNO-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313631279 409810010 /nfs/dbraw/zinc/81/00/10/409810010.db2.gz GIYVNHBZMSBHHU-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313631279 409810019 /nfs/dbraw/zinc/81/00/19/409810019.db2.gz GIYVNHBZMSBHHU-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO Cc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1[N+](=O)[O-] ZINC000349629818 409892488 /nfs/dbraw/zinc/89/24/88/409892488.db2.gz KNEJEGRGKKUUJA-UHFFFAOYSA-N 1 2 302.338 1.590 20 5 DDBDLO COc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1[N+](=O)[O-] ZINC000338423479 409979549 /nfs/dbraw/zinc/97/95/49/409979549.db2.gz KYFNLGLXLADDAO-UHFFFAOYSA-N 1 2 317.305 1.902 20 5 DDBDLO CCOc1cc(C[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332263877 410024003 /nfs/dbraw/zinc/02/40/03/410024003.db2.gz UEYYJQOXQKDZDV-GDBMZVCRSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(C[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332263877 410024011 /nfs/dbraw/zinc/02/40/11/410024011.db2.gz UEYYJQOXQKDZDV-GDBMZVCRSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332263877 410024016 /nfs/dbraw/zinc/02/40/16/410024016.db2.gz UEYYJQOXQKDZDV-GDBMZVCRSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000332263877 410024020 /nfs/dbraw/zinc/02/40/20/410024020.db2.gz UEYYJQOXQKDZDV-GDBMZVCRSA-N 1 2 321.377 1.508 20 5 DDBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2[nH+]1 ZINC000357427596 410033699 /nfs/dbraw/zinc/03/36/99/410033699.db2.gz UQIOMDJANTUEDY-UHFFFAOYSA-N 1 2 315.293 1.513 20 5 DDBDLO CC(C)Cn1cc[nH+]c1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357506514 410074782 /nfs/dbraw/zinc/07/47/82/410074782.db2.gz VCKNBKHVVJYCHM-UHFFFAOYSA-N 1 2 318.337 1.553 20 5 DDBDLO COc1cc(C(=O)NCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000298205071 410132799 /nfs/dbraw/zinc/13/27/99/410132799.db2.gz YCHQFHUTLJPIHW-UHFFFAOYSA-N 1 2 320.305 1.239 20 5 DDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000343277500 410300971 /nfs/dbraw/zinc/30/09/71/410300971.db2.gz REYCYCDHIVWKNP-UHFFFAOYSA-N 1 2 313.277 1.011 20 5 DDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000355252912 410400588 /nfs/dbraw/zinc/40/05/88/410400588.db2.gz GZLMANOCLGJWJU-UHFFFAOYSA-N 1 2 306.347 1.980 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340221650 410765955 /nfs/dbraw/zinc/76/59/55/410765955.db2.gz HDQGSCWMHURKBD-GXFFZTMASA-N 1 2 320.349 1.051 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340221650 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322.325 1.033 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000348303493 410909581 /nfs/dbraw/zinc/90/95/81/410909581.db2.gz NBBJWPSWFXMNSY-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000348303493 410909584 /nfs/dbraw/zinc/90/95/84/410909584.db2.gz NBBJWPSWFXMNSY-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)(F)CO ZINC000344110552 410962641 /nfs/dbraw/zinc/96/26/41/410962641.db2.gz YYCZIBORUMFZFD-VIFPVBQESA-N 1 2 317.292 1.529 20 5 DDBDLO COc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000571743983 304483555 /nfs/dbraw/zinc/48/35/55/304483555.db2.gz AIUUGKWZPUUCDO-UHFFFAOYSA-N 1 2 302.290 1.497 20 5 DDBDLO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)n1C ZINC000351507356 306765396 /nfs/dbraw/zinc/76/53/96/306765396.db2.gz MAFVAEYHYBNLPE-QMMMGPOBSA-N 1 2 317.309 1.687 20 5 DDBDLO Cn1cc[nH+]c1-c1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000373393899 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DDBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000342364438 271390601 /nfs/dbraw/zinc/39/06/01/271390601.db2.gz FAAXWMZWQKTGHO-NSHDSACASA-N 1 2 308.338 1.107 20 5 DDBDLO CCC[N@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193789836 276249493 /nfs/dbraw/zinc/24/94/93/276249493.db2.gz BKIGUCBTLHHOLF-UHFFFAOYSA-N 1 2 310.310 1.461 20 5 DDBDLO CCC[N@@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193789836 276249495 /nfs/dbraw/zinc/24/94/95/276249495.db2.gz BKIGUCBTLHHOLF-UHFFFAOYSA-N 1 2 310.310 1.461 20 5 DDBDLO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339112261 276366749 /nfs/dbraw/zinc/36/67/49/276366749.db2.gz JFYRKCQRVWUVKA-GOEBONIOSA-N 1 2 324.377 1.956 20 5 DDBDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340933508 279001050 /nfs/dbraw/zinc/00/10/50/279001050.db2.gz QVTUYZICJWUQJM-SCZZXKLOSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340933508 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320.349 1.004 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000543910538 303467310 /nfs/dbraw/zinc/46/73/10/303467310.db2.gz IPUQMDZPUNXSFC-UHFFFAOYSA-N 1 2 322.346 1.345 20 5 DDBDLO Cc1cnn([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000363448333 307028209 /nfs/dbraw/zinc/02/82/09/307028209.db2.gz FNPBONZBRQFZBX-LBPRGKRZSA-N 1 2 304.354 1.670 20 5 DDBDLO Cc1cnn([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000363448333 307028210 /nfs/dbraw/zinc/02/82/10/307028210.db2.gz FNPBONZBRQFZBX-LBPRGKRZSA-N 1 2 304.354 1.670 20 5 DDBDLO COc1ccc(C(=O)N2CCn3cc(C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000363677523 307033386 /nfs/dbraw/zinc/03/33/86/307033386.db2.gz YPCJKVOFCZWGGD-UHFFFAOYSA-N 1 2 316.317 1.764 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366576641 307076617 /nfs/dbraw/zinc/07/66/17/307076617.db2.gz SAGLYVHEFCMVQD-CQSZACIVSA-N 1 2 310.354 1.098 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366576641 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ZINC000830866162 706594053 /nfs/dbraw/zinc/59/40/53/706594053.db2.gz UNERWKPWCVDQPO-GHMZBOCLSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830866162 706594056 /nfs/dbraw/zinc/59/40/56/706594056.db2.gz UNERWKPWCVDQPO-GHMZBOCLSA-N 1 2 312.297 1.090 20 5 DDBDLO O=C(N[C@@H](CO)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000771029386 701305181 /nfs/dbraw/zinc/30/51/81/701305181.db2.gz GENYWYMQJONLQX-LBPRGKRZSA-N 1 2 316.317 1.281 20 5 DDBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000805479312 701384958 /nfs/dbraw/zinc/38/49/58/701384958.db2.gz MPYBMWNOXSGQRL-ZDUSSCGKSA-N 1 2 312.297 1.498 20 5 DDBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000805479312 701384960 /nfs/dbraw/zinc/38/49/60/701384960.db2.gz MPYBMWNOXSGQRL-ZDUSSCGKSA-N 1 2 312.297 1.498 20 5 DDBDLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839617475 701755101 /nfs/dbraw/zinc/75/51/01/701755101.db2.gz 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20 5 DDBDLO CC[C@@](C)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=O ZINC000177136202 408530522 /nfs/dbraw/zinc/53/05/22/408530522.db2.gz HTGILXTZTWQJIR-CQSZACIVSA-N 1 2 319.321 1.388 20 5 DDBDLO CN(CCc1ccccc1[N+](=O)[O-])c1[nH+]cnc2c1cnn2C ZINC000286664025 408994414 /nfs/dbraw/zinc/99/44/14/408994414.db2.gz VOSWHBHCCLVFRD-UHFFFAOYSA-N 1 2 312.333 1.950 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCOCC2)CC1 ZINC000278051070 409057762 /nfs/dbraw/zinc/05/77/62/409057762.db2.gz VRWGJJQAORPBBD-UHFFFAOYSA-N 1 2 319.361 1.118 20 5 DDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000278064114 409060204 /nfs/dbraw/zinc/06/02/04/409060204.db2.gz WNFRVIYIRROUMF-UHFFFAOYSA-N 1 2 323.324 1.329 20 5 DDBDLO CN(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1c[nH+]cn1C ZINC000280671201 409403174 /nfs/dbraw/zinc/40/31/74/409403174.db2.gz BNRIPEOOOAKAPQ-CQSZACIVSA-N 1 2 317.349 1.247 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000408019816 164200159 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1.388 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357121387 409889053 /nfs/dbraw/zinc/88/90/53/409889053.db2.gz UIYUCDYUSZVSLR-NSHDSACASA-N 1 2 318.337 1.577 20 5 DDBDLO Cc1nc([N+](=O)[O-])c(-c2noc(Cc3c[nH+]cn3C)n2)n1C ZINC000350443503 409948980 /nfs/dbraw/zinc/94/89/80/409948980.db2.gz XNNPDZVXKNQNCM-UHFFFAOYSA-N 1 2 303.282 1.011 20 5 DDBDLO Cc1nn(C)c(NCc2ccnc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000301247469 410683345 /nfs/dbraw/zinc/68/33/45/410683345.db2.gz BXNGLAGRVQEETR-UHFFFAOYSA-N 1 2 313.321 1.830 20 5 DDBDLO Cc1nn(C)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000301627191 410760619 /nfs/dbraw/zinc/76/06/19/410760619.db2.gz HDCBAOHPOZIYKD-GFCCVEGCSA-N 1 2 303.322 1.689 20 5 DDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000348285637 410897749 /nfs/dbraw/zinc/89/77/49/410897749.db2.gz RAMIJELKMBTVDA-UHFFFAOYSA-N 1 2 324.356 1.115 20 5 DDBDLO COc1c(C(=O)NCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000353355802 410937614 /nfs/dbraw/zinc/93/76/14/410937614.db2.gz RKGJPQRVSNMEPI-UHFFFAOYSA-N 1 2 304.306 1.620 20 5 DDBDLO Cn1c(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000337658609 410923190 /nfs/dbraw/zinc/92/31/90/410923190.db2.gz OWXMVIZCUWDCQF-GFCCVEGCSA-N 1 2 315.333 1.115 20 5 DDBDLO CN1C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CCN2C1=O ZINC000366996356 418549862 /nfs/dbraw/zinc/54/98/62/418549862.db2.gz NTSGXEMBFSOFNG-NSHDSACASA-N 1 2 308.313 1.286 20 5 DDBDLO CN1C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CCN2C1=O ZINC000366996356 418549865 /nfs/dbraw/zinc/54/98/65/418549865.db2.gz NTSGXEMBFSOFNG-NSHDSACASA-N 1 2 308.313 1.286 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC000295417428 418586436 /nfs/dbraw/zinc/58/64/36/418586436.db2.gz TYEQMEWTJWCULS-JTQLQIEISA-N 1 2 322.296 1.790 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC000295417428 418586438 /nfs/dbraw/zinc/58/64/38/418586438.db2.gz TYEQMEWTJWCULS-JTQLQIEISA-N 1 2 322.296 1.790 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367462798 418601700 /nfs/dbraw/zinc/60/17/00/418601700.db2.gz HWHPFJCANUUNNV-DGCLKSJQSA-N 1 2 320.305 1.213 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367462798 418601704 /nfs/dbraw/zinc/60/17/04/418601704.db2.gz HWHPFJCANUUNNV-DGCLKSJQSA-N 1 2 320.305 1.213 20 5 DDBDLO C[N@H+](CCn1cccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361268071 418615507 /nfs/dbraw/zinc/61/55/07/418615507.db2.gz TYCVPFABLCIBKZ-UHFFFAOYSA-N 1 2 300.322 1.800 20 5 DDBDLO C[N@@H+](CCn1cccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361268071 418615508 /nfs/dbraw/zinc/61/55/08/418615508.db2.gz TYCVPFABLCIBKZ-UHFFFAOYSA-N 1 2 300.322 1.800 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000367849352 418644999 /nfs/dbraw/zinc/64/49/99/418644999.db2.gz XOFYXPKBGFQWOH-OCCSQVGLSA-N 1 2 321.333 1.405 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H]2C[C@H]21 ZINC000367849352 418645002 /nfs/dbraw/zinc/64/50/02/418645002.db2.gz XOFYXPKBGFQWOH-OCCSQVGLSA-N 1 2 321.333 1.405 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364948568 418826770 /nfs/dbraw/zinc/82/67/70/418826770.db2.gz YSZHTBIVAGDOMN-AWEZNQCLSA-N 1 2 302.334 1.768 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364948568 418826772 /nfs/dbraw/zinc/82/67/72/418826772.db2.gz YSZHTBIVAGDOMN-AWEZNQCLSA-N 1 2 302.334 1.768 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000427837005 419748839 /nfs/dbraw/zinc/74/88/39/419748839.db2.gz PRKCKWBJYNCYIP-JTQLQIEISA-N 1 2 306.326 1.074 20 5 DDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000428357320 419852891 /nfs/dbraw/zinc/85/28/91/419852891.db2.gz DENKRBRWINRZMA-VIFPVBQESA-N 1 2 304.281 1.675 20 5 DDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299539797 229194715 /nfs/dbraw/zinc/19/47/15/229194715.db2.gz OWFBGVYDNXNCBZ-JTQLQIEISA-N 1 2 304.310 1.268 20 5 DDBDLO CCC[N@H+](CC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429162687 419980466 /nfs/dbraw/zinc/98/04/66/419980466.db2.gz YLTWIUKXURSVEZ-UHFFFAOYSA-N 1 2 319.321 1.342 20 5 DDBDLO CCC[N@@H+](CC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429162687 419980468 /nfs/dbraw/zinc/98/04/68/419980468.db2.gz YLTWIUKXURSVEZ-UHFFFAOYSA-N 1 2 319.321 1.342 20 5 DDBDLO COc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000423717183 420141374 /nfs/dbraw/zinc/14/13/74/420141374.db2.gz AALYKISPUKQDSW-MRVPVSSYSA-N 1 2 301.249 1.539 20 5 DDBDLO CCc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471865307 420954825 /nfs/dbraw/zinc/95/48/25/420954825.db2.gz XNZFKTWIBFXBHW-LBPRGKRZSA-N 1 2 321.377 1.608 20 5 DDBDLO CCc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471865307 420954828 /nfs/dbraw/zinc/95/48/28/420954828.db2.gz XNZFKTWIBFXBHW-LBPRGKRZSA-N 1 2 321.377 1.608 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000455042102 420961137 /nfs/dbraw/zinc/96/11/37/420961137.db2.gz ODXOKUNMAIPADA-PSASIEDQSA-N 1 2 302.294 1.436 20 5 DDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455037329 420961182 /nfs/dbraw/zinc/96/11/82/420961182.db2.gz JLJCGOLCYFXDTO-SECBINFHSA-N 1 2 304.310 1.511 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449646919 421044028 /nfs/dbraw/zinc/04/40/28/421044028.db2.gz CNPQTRLMGFIQPM-SNVBAGLBSA-N 1 2 313.304 1.878 20 5 DDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1csc([N+](=O)[O-])c1 ZINC000456219102 421126120 /nfs/dbraw/zinc/12/61/20/421126120.db2.gz UEMZYGSPMRAFCX-PHIMTYICSA-N 1 2 311.363 1.249 20 5 DDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1csc([N+](=O)[O-])c1 ZINC000456219102 421126124 /nfs/dbraw/zinc/12/61/24/421126124.db2.gz UEMZYGSPMRAFCX-PHIMTYICSA-N 1 2 311.363 1.249 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488067928 421067923 /nfs/dbraw/zinc/06/79/23/421067923.db2.gz LAXYYFSWAONSFZ-GFCCVEGCSA-N 1 2 316.361 1.698 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488067928 421067925 /nfs/dbraw/zinc/06/79/25/421067925.db2.gz LAXYYFSWAONSFZ-GFCCVEGCSA-N 1 2 316.361 1.698 20 5 DDBDLO CC(C)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450166725 421155929 /nfs/dbraw/zinc/15/59/29/421155929.db2.gz ADTYSKZMIIDZHG-CQSZACIVSA-N 1 2 318.333 1.527 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000546690455 421304558 /nfs/dbraw/zinc/30/45/58/421304558.db2.gz NXGAEDCCGGAMIZ-UHFFFAOYSA-N 1 2 310.354 1.100 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000546690455 421304561 /nfs/dbraw/zinc/30/45/61/421304561.db2.gz NXGAEDCCGGAMIZ-UHFFFAOYSA-N 1 2 310.354 1.100 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524421110 421260761 /nfs/dbraw/zinc/26/07/61/421260761.db2.gz JYSRETDTLFLUTP-UHFFFAOYSA-N 1 2 302.290 1.497 20 5 DDBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496606618 421281425 /nfs/dbraw/zinc/28/14/25/421281425.db2.gz OLGRYCIZNKNICI-UHFFFAOYSA-N 1 2 317.305 1.897 20 5 DDBDLO CN(C)C(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000549947931 421511534 /nfs/dbraw/zinc/51/15/34/421511534.db2.gz ICDLRYQGGSPFFY-UHFFFAOYSA-N 1 2 322.365 1.273 20 5 DDBDLO C[C@@H](O)CNc1cc(NCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000556842262 421746310 /nfs/dbraw/zinc/74/63/10/421746310.db2.gz FROCWUDULLABES-SNVBAGLBSA-N 1 2 303.322 1.790 20 5 DDBDLO C[C@@H](O)CNc1cc(NCc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000556842262 421746313 /nfs/dbraw/zinc/74/63/13/421746313.db2.gz FROCWUDULLABES-SNVBAGLBSA-N 1 2 303.322 1.790 20 5 DDBDLO CS(=O)(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000290667647 277503126 /nfs/dbraw/zinc/50/31/26/277503126.db2.gz KDDZHTNJSQYVSM-UHFFFAOYSA-N 1 2 322.346 1.215 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332584814 279318688 /nfs/dbraw/zinc/31/86/88/279318688.db2.gz IAQOHTLHEPBUQT-GFCCVEGCSA-N 1 2 306.366 1.069 20 5 DDBDLO O=C1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000133187976 280263153 /nfs/dbraw/zinc/26/31/53/280263153.db2.gz AKGMGXCNNOUQKK-STQMWFEESA-N 1 2 319.361 1.717 20 5 DDBDLO O=C1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000133187976 280263154 /nfs/dbraw/zinc/26/31/54/280263154.db2.gz AKGMGXCNNOUQKK-STQMWFEESA-N 1 2 319.361 1.717 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000340867215 288676561 /nfs/dbraw/zinc/67/65/61/288676561.db2.gz ZCYYHSDRRUDTIF-LLVKDONJSA-N 1 2 311.386 1.277 20 5 DDBDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274050987 289995829 /nfs/dbraw/zinc/99/58/29/289995829.db2.gz PIMYPYZYQUUUGH-UWVGGRQHSA-N 1 2 318.337 1.401 20 5 DDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364200182 300356704 /nfs/dbraw/zinc/35/67/04/300356704.db2.gz GXGGWYZNYYRIPY-LBPRGKRZSA-N 1 2 301.306 1.877 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1.801 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC[C@H]1C[N@H+](C)CCO1 ZINC001229960331 884248381 /nfs/dbraw/zinc/24/83/81/884248381.db2.gz KJZUEVUHIVSHFV-LLVKDONJSA-N 1 2 324.333 1.399 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001229960331 884248390 /nfs/dbraw/zinc/24/83/90/884248390.db2.gz KJZUEVUHIVSHFV-LLVKDONJSA-N 1 2 324.333 1.399 20 5 DDBDLO CC(C)C(=O)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606182 896527504 /nfs/dbraw/zinc/52/75/04/896527504.db2.gz FQBMSXDSYDLIPE-MRXNPFEDSA-N 1 2 317.389 1.862 20 5 DDBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3C[C@@H](O)[C@H](O)C3)cs2)c1 ZINC000278388319 214134635 /nfs/dbraw/zinc/13/46/35/214134635.db2.gz MOVYIJWOFSPSHH-CHWSQXEVSA-N 1 2 321.358 1.256 20 5 DDBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000181577324 199321634 /nfs/dbraw/zinc/32/16/34/199321634.db2.gz IZOLRXUOULHNER-NSHDSACASA-N 1 2 313.379 1.061 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O 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O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCc2[nH+]c[nH]c2C1 ZINC000590379350 355078825 /nfs/dbraw/zinc/07/88/25/355078825.db2.gz QFTULXOULVBLEA-UHFFFAOYSA-N 1 2 311.301 1.998 20 5 DDBDLO Cn1cc([C@@H](CO)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000494813872 235092527 /nfs/dbraw/zinc/09/25/27/235092527.db2.gz YMNKEIZRBZKUED-GFCCVEGCSA-N 1 2 310.741 1.805 20 5 DDBDLO COCC1(C)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590969966 355226147 /nfs/dbraw/zinc/22/61/47/355226147.db2.gz ZKGHQVSQYUUAGN-UHFFFAOYSA-N 1 2 308.334 1.834 20 5 DDBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COC[C@@H]31)OCCO2 ZINC000590972210 355227244 /nfs/dbraw/zinc/22/72/44/355227244.db2.gz YHAGMFCYOZCGQM-RISCZKNCSA-N 1 2 320.345 1.977 20 5 DDBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]3COC[C@@H]31)OCCO2 ZINC000590972210 355227250 /nfs/dbraw/zinc/22/72/50/355227250.db2.gz YHAGMFCYOZCGQM-RISCZKNCSA-N 1 2 320.345 1.977 20 5 DDBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339191820 291067264 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ISXGFLLKGOLALH-GLQYFDAESA-N 1 2 324.377 1.956 20 5 DDBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081287735 192246067 /nfs/dbraw/zinc/24/60/67/192246067.db2.gz LVCSMMWWTSDTOE-HNNXBMFYSA-N 1 2 321.377 1.662 20 5 DDBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081287735 192246068 /nfs/dbraw/zinc/24/60/68/192246068.db2.gz LVCSMMWWTSDTOE-HNNXBMFYSA-N 1 2 321.377 1.662 20 5 DDBDLO Cc1noc(CN2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000595396012 356477660 /nfs/dbraw/zinc/47/76/60/356477660.db2.gz BKCNFVQFVOVHSJ-UHFFFAOYSA-N 1 2 317.349 1.604 20 5 DDBDLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595598169 356569420 /nfs/dbraw/zinc/56/94/20/356569420.db2.gz XVLSBHXFEYOGDS-CYBMUJFWSA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595598169 356569425 /nfs/dbraw/zinc/56/94/25/356569425.db2.gz XVLSBHXFEYOGDS-CYBMUJFWSA-N 1 2 306.322 1.190 20 5 DDBDLO 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DDBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000137249999 408149407 /nfs/dbraw/zinc/14/94/07/408149407.db2.gz OQMRAEZSAHGSFR-UHFFFAOYSA-N 1 2 316.252 1.895 20 5 DDBDLO C[N@@H+](Cc1ccon1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273357140 408166754 /nfs/dbraw/zinc/16/67/54/408166754.db2.gz QEMABZLNYHLPTG-LBPRGKRZSA-N 1 2 307.306 1.455 20 5 DDBDLO C[N@H+](Cc1ccon1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273357140 408166772 /nfs/dbraw/zinc/16/67/72/408166772.db2.gz QEMABZLNYHLPTG-LBPRGKRZSA-N 1 2 307.306 1.455 20 5 DDBDLO O=C(NCCn1cc[nH+]c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000151012178 408239304 /nfs/dbraw/zinc/23/93/04/408239304.db2.gz LEEQFKBHDRWHGS-UHFFFAOYSA-N 1 2 315.333 1.559 20 5 DDBDLO Cn1cc[nH+]c1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000137971345 162129600 /nfs/dbraw/zinc/12/96/00/162129600.db2.gz MRRFCKCBXRJGMC-UHFFFAOYSA-N 1 2 310.335 1.344 20 5 DDBDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639901 408621845 /nfs/dbraw/zinc/62/18/45/408621845.db2.gz SOFUCQMWGICQFS-JTQLQIEISA-N 1 2 320.349 1.403 20 5 DDBDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639901 408621848 /nfs/dbraw/zinc/62/18/48/408621848.db2.gz SOFUCQMWGICQFS-JTQLQIEISA-N 1 2 320.349 1.403 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000192842586 408659449 /nfs/dbraw/zinc/65/94/49/408659449.db2.gz NXCAUCIZBCKXHF-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO COc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000185207285 408779328 /nfs/dbraw/zinc/77/93/28/408779328.db2.gz JUHYCXFZORIYJJ-HNNXBMFYSA-N 1 2 308.334 1.595 20 5 DDBDLO COc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000185207285 408779330 /nfs/dbraw/zinc/77/93/30/408779330.db2.gz JUHYCXFZORIYJJ-HNNXBMFYSA-N 1 2 308.334 1.595 20 5 DDBDLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000276598594 408891392 /nfs/dbraw/zinc/89/13/92/408891392.db2.gz NXTCPEWTXKBXTN-UHFFFAOYSA-N 1 2 302.334 1.620 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277516077 408955825 /nfs/dbraw/zinc/95/58/25/408955825.db2.gz YLYVFMOZZYXZTG-UHFFFAOYSA-N 1 2 323.349 1.008 20 5 DDBDLO CNC(=O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293629779 409149703 /nfs/dbraw/zinc/14/97/03/409149703.db2.gz WSQDNPLFZULZFA-UHFFFAOYSA-N 1 2 305.256 1.791 20 5 DDBDLO CNC(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293629779 409149704 /nfs/dbraw/zinc/14/97/04/409149704.db2.gz WSQDNPLFZULZFA-UHFFFAOYSA-N 1 2 305.256 1.791 20 5 DDBDLO O=C(NCCC[NH+]1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280691961 409411923 /nfs/dbraw/zinc/41/19/23/409411923.db2.gz DQVSTAFUGOTVDJ-UHFFFAOYSA-N 1 2 307.350 1.906 20 5 DDBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2[nH+]1 ZINC000358041529 410347574 /nfs/dbraw/zinc/34/75/74/410347574.db2.gz QNDHHZDGFHWOLC-UHFFFAOYSA-N 1 2 300.278 1.765 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000351882373 410315336 /nfs/dbraw/zinc/31/53/36/410315336.db2.gz GBBJZLMBAHWJPG-UHFFFAOYSA-N 1 2 304.306 1.576 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358339188 410452111 /nfs/dbraw/zinc/45/21/11/410452111.db2.gz CRYRXYFRKGGIKA-JTQLQIEISA-N 1 2 306.297 1.678 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355509474 410555531 /nfs/dbraw/zinc/55/55/31/410555531.db2.gz PPVQOEFNDZXKNA-LLVKDONJSA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355509474 410555537 /nfs/dbraw/zinc/55/55/37/410555537.db2.gz PPVQOEFNDZXKNA-LLVKDONJSA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000352334922 410627998 /nfs/dbraw/zinc/62/79/98/410627998.db2.gz NBQHKPYFGYGJOD-SECBINFHSA-N 1 2 304.310 1.013 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000347638655 410642098 /nfs/dbraw/zinc/64/20/98/410642098.db2.gz CQCDTDRSWHZEMN-CQSZACIVSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000347638655 410642103 /nfs/dbraw/zinc/64/21/03/410642103.db2.gz CQCDTDRSWHZEMN-CQSZACIVSA-N 1 2 321.377 1.744 20 5 DDBDLO COC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330465855 410711298 /nfs/dbraw/zinc/71/12/98/410711298.db2.gz WHNGHMVJKLDSSB-ZDUSSCGKSA-N 1 2 310.350 1.926 20 5 DDBDLO COC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330465855 410711305 /nfs/dbraw/zinc/71/13/05/410711305.db2.gz WHNGHMVJKLDSSB-ZDUSSCGKSA-N 1 2 310.350 1.926 20 5 DDBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000337459774 410803535 /nfs/dbraw/zinc/80/35/35/410803535.db2.gz OSJAJVJLBYIBMF-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000337459774 410803541 /nfs/dbraw/zinc/80/35/41/410803541.db2.gz OSJAJVJLBYIBMF-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(O)C1 ZINC000353486416 411025379 /nfs/dbraw/zinc/02/53/79/411025379.db2.gz XXKHSCXXBTUEMB-UHFFFAOYSA-N 1 2 304.306 1.600 20 5 DDBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(O)C1 ZINC000353486416 411025382 /nfs/dbraw/zinc/02/53/82/411025382.db2.gz XXKHSCXXBTUEMB-UHFFFAOYSA-N 1 2 304.306 1.600 20 5 DDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360209953 411100145 /nfs/dbraw/zinc/10/01/45/411100145.db2.gz SZJZHOKJZGFMGQ-UHFFFAOYSA-N 1 2 314.773 1.951 20 5 DDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360209953 411100148 /nfs/dbraw/zinc/10/01/48/411100148.db2.gz SZJZHOKJZGFMGQ-UHFFFAOYSA-N 1 2 314.773 1.951 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000374819537 418565026 /nfs/dbraw/zinc/56/50/26/418565026.db2.gz NVTXJCZNRTZFFA-JTQLQIEISA-N 1 2 315.333 1.540 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000361419259 418648069 /nfs/dbraw/zinc/64/80/69/418648069.db2.gz AJUURXQDRUYIRZ-LBPRGKRZSA-N 1 2 307.350 1.687 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000361419259 418648071 /nfs/dbraw/zinc/64/80/71/418648071.db2.gz AJUURXQDRUYIRZ-LBPRGKRZSA-N 1 2 307.350 1.687 20 5 DDBDLO Nc1nc(NCc2[nH+]ccn2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000341797698 418626285 /nfs/dbraw/zinc/62/62/85/418626285.db2.gz ILMXCDSNPLTVMS-UHFFFAOYSA-N 1 2 317.231 1.338 20 5 DDBDLO Cn1ncc2c1CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000411843304 419439761 /nfs/dbraw/zinc/43/97/61/419439761.db2.gz BKFNYELIMLECSG-UHFFFAOYSA-N 1 2 302.334 1.982 20 5 DDBDLO Cn1ncc2c1CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000411843304 419439769 /nfs/dbraw/zinc/43/97/69/419439769.db2.gz BKFNYELIMLECSG-UHFFFAOYSA-N 1 2 302.334 1.982 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000411926656 419497118 /nfs/dbraw/zinc/49/71/18/419497118.db2.gz WLPHJOJSAXCOAN-RYUDHWBXSA-N 1 2 300.742 1.830 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000411926656 419497122 /nfs/dbraw/zinc/49/71/22/419497122.db2.gz WLPHJOJSAXCOAN-RYUDHWBXSA-N 1 2 300.742 1.830 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000431809568 229059087 /nfs/dbraw/zinc/05/90/87/229059087.db2.gz DZVANUSZHPOOPS-UHFFFAOYSA-N 1 2 316.317 1.998 20 5 DDBDLO O=C(CC[N@@H+]1CCc2n[nH]nc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429282337 419995115 /nfs/dbraw/zinc/99/51/15/419995115.db2.gz DVGMPWRTTOMLOW-UHFFFAOYSA-N 1 2 316.321 1.100 20 5 DDBDLO O=C(CC[N@H+]1CCc2n[nH]nc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429282337 419995119 /nfs/dbraw/zinc/99/51/19/419995119.db2.gz DVGMPWRTTOMLOW-UHFFFAOYSA-N 1 2 316.321 1.100 20 5 DDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000423739805 420153317 /nfs/dbraw/zinc/15/33/17/420153317.db2.gz WCGNNZVLBDBATQ-QMMMGPOBSA-N 1 2 317.305 1.353 20 5 DDBDLO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000302360599 230226209 /nfs/dbraw/zinc/22/62/09/230226209.db2.gz CVVSLXGKSSELQJ-VIFPVBQESA-N 1 2 301.293 1.376 20 5 DDBDLO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000302360599 230226213 /nfs/dbraw/zinc/22/62/13/230226213.db2.gz CVVSLXGKSSELQJ-VIFPVBQESA-N 1 2 301.293 1.376 20 5 DDBDLO C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448558281 420863265 /nfs/dbraw/zinc/86/32/65/420863265.db2.gz UGRJOHNXVYPXAN-UHFFFAOYSA-N 1 2 315.333 1.168 20 5 DDBDLO Cc1c(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000449650345 421045508 /nfs/dbraw/zinc/04/55/08/421045508.db2.gz LAKADPRTIREPAZ-JTQLQIEISA-N 1 2 313.304 1.878 20 5 DDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1[N+](=O)[O-] ZINC000456210038 421123124 /nfs/dbraw/zinc/12/31/24/421123124.db2.gz XMTNYRHBTRCPCN-TXEJJXNPSA-N 1 2 323.324 1.327 20 5 DDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1[N+](=O)[O-] ZINC000456210038 421123127 /nfs/dbraw/zinc/12/31/27/421123127.db2.gz XMTNYRHBTRCPCN-TXEJJXNPSA-N 1 2 323.324 1.327 20 5 DDBDLO CO[C@@H]1C[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000488014313 421063962 /nfs/dbraw/zinc/06/39/62/421063962.db2.gz YOVLXCOSZXTMAC-ZIAGYGMSSA-N 1 2 323.349 1.187 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456413154 421161700 /nfs/dbraw/zinc/16/17/00/421161700.db2.gz HXMYEZSNMCKPEC-VXNVDRBHSA-N 1 2 303.278 1.328 20 5 DDBDLO Cc1nc(N(C)Cc2cn3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000450482914 421202978 /nfs/dbraw/zinc/20/29/78/421202978.db2.gz DLRHEODMARRXDL-UHFFFAOYSA-N 1 2 302.338 1.862 20 5 DDBDLO Cc1cc(C(=O)NCc2c[nH+]c(C)nc2N)cc([N+](=O)[O-])c1 ZINC000561700187 421333372 /nfs/dbraw/zinc/33/33/72/421333372.db2.gz HIIKNTIPTXKZOG-UHFFFAOYSA-N 1 2 301.306 1.514 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000514398363 421434173 /nfs/dbraw/zinc/43/41/73/421434173.db2.gz OYULKUJCNNQNFP-UHFFFAOYSA-N 1 2 317.349 1.439 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000553383121 421613170 /nfs/dbraw/zinc/61/31/70/421613170.db2.gz FTYLBWASRAQQLJ-SECBINFHSA-N 1 2 323.378 1.732 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000553383121 421613174 /nfs/dbraw/zinc/61/31/74/421613174.db2.gz FTYLBWASRAQQLJ-SECBINFHSA-N 1 2 323.378 1.732 20 5 DDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000574479681 422117057 /nfs/dbraw/zinc/11/70/57/422117057.db2.gz YPUPMOKHSVOGBN-TXEJJXNPSA-N 1 2 322.365 1.171 20 5 DDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000574479681 422117061 /nfs/dbraw/zinc/11/70/61/422117061.db2.gz YPUPMOKHSVOGBN-TXEJJXNPSA-N 1 2 322.365 1.171 20 5 DDBDLO Nc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1[N+](=O)[O-] ZINC000596172069 422369204 /nfs/dbraw/zinc/36/92/04/422369204.db2.gz IUVHLTOECOBWBW-SNVBAGLBSA-N 1 2 300.322 1.658 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnccn1 ZINC000174644866 274203042 /nfs/dbraw/zinc/20/30/42/274203042.db2.gz VHFLPVMXSXXAFQ-NSHDSACASA-N 1 2 315.333 1.844 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cnccn1 ZINC000174644866 274203043 /nfs/dbraw/zinc/20/30/43/274203043.db2.gz VHFLPVMXSXXAFQ-NSHDSACASA-N 1 2 315.333 1.844 20 5 DDBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339201367 278100585 /nfs/dbraw/zinc/10/05/85/278100585.db2.gz GQJMSOCKENHBQK-IUODEOHRSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339201367 278100586 /nfs/dbraw/zinc/10/05/86/278100586.db2.gz GQJMSOCKENHBQK-IUODEOHRSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339201367 278100587 /nfs/dbraw/zinc/10/05/87/278100587.db2.gz GQJMSOCKENHBQK-IUODEOHRSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285997653 278902261 /nfs/dbraw/zinc/90/22/61/278902261.db2.gz YEELCUXPTJSUDC-IUODEOHRSA-N 1 2 319.361 1.530 20 5 DDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ncccc2[N+](=O)[O-])C1 ZINC000275543403 290108212 /nfs/dbraw/zinc/10/82/12/290108212.db2.gz FMWRJJUMKAVFCC-ZDUSSCGKSA-N 1 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C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@H]21 ZINC000827287795 705968898 /nfs/dbraw/zinc/96/88/98/705968898.db2.gz LPEYJWMWRQSAMU-ZWNOBZJWSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@H]21 ZINC000827287795 705968900 /nfs/dbraw/zinc/96/89/00/705968900.db2.gz LPEYJWMWRQSAMU-ZWNOBZJWSA-N 1 2 305.334 1.467 20 5 DDBDLO Cc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000864404567 706158383 /nfs/dbraw/zinc/15/83/83/706158383.db2.gz GPWJFJKMXKLASO-IHWYPQMZSA-N 1 2 305.334 1.730 20 5 DDBDLO O=C(NOC1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000832333003 706893436 /nfs/dbraw/zinc/89/34/36/706893436.db2.gz QPSAILFJUORRDL-UHFFFAOYSA-N 1 2 302.290 1.994 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000880295142 706931149 /nfs/dbraw/zinc/93/11/49/706931149.db2.gz PHSDLBRJBBAJPN-JTQLQIEISA-N 1 2 311.313 1.833 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CF)C1 ZINC000880295142 706931151 /nfs/dbraw/zinc/93/11/51/706931151.db2.gz PHSDLBRJBBAJPN-JTQLQIEISA-N 1 2 311.313 1.833 20 5 DDBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCCF ZINC000872068650 707287294 /nfs/dbraw/zinc/28/72/94/707287294.db2.gz IPXHLAHHIYGNRN-IUCAKERBSA-N 1 2 301.293 1.859 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000886813343 708850729 /nfs/dbraw/zinc/85/07/29/708850729.db2.gz JUYUSWZKPRGYLW-SNVBAGLBSA-N 1 2 309.244 1.638 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000886813343 708850733 /nfs/dbraw/zinc/85/07/33/708850733.db2.gz JUYUSWZKPRGYLW-SNVBAGLBSA-N 1 2 309.244 1.638 20 5 DDBDLO COc1cc(N2CC[N@H+](C)[C@@H](CO)C2)c(Cl)cc1[N+](=O)[O-] ZINC000894880627 711306806 /nfs/dbraw/zinc/30/68/06/711306806.db2.gz FJWHGTUTMOHXFF-SECBINFHSA-N 1 2 315.757 1.370 20 5 DDBDLO COc1cc(N2CC[N@@H+](C)[C@@H](CO)C2)c(Cl)cc1[N+](=O)[O-] ZINC000894880627 711306810 /nfs/dbraw/zinc/30/68/10/711306810.db2.gz FJWHGTUTMOHXFF-SECBINFHSA-N 1 2 315.757 1.370 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000928647507 713249450 /nfs/dbraw/zinc/24/94/50/713249450.db2.gz LJMADMPYNSBQAJ-GFCCVEGCSA-N 1 2 301.387 1.049 20 5 DDBDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000921414913 713762435 /nfs/dbraw/zinc/76/24/35/713762435.db2.gz ZUDBSJBQNRAZRI-SECBINFHSA-N 1 2 319.770 1.231 20 5 DDBDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000921414913 713762437 /nfs/dbraw/zinc/76/24/37/713762437.db2.gz ZUDBSJBQNRAZRI-SECBINFHSA-N 1 2 319.770 1.231 20 5 DDBDLO O=[N+]([O-])CC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000930993040 713976161 /nfs/dbraw/zinc/97/61/61/713976161.db2.gz APMSONJWQXBXDP-UHFFFAOYSA-N 1 2 314.183 1.848 20 5 DDBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000931668479 714156080 /nfs/dbraw/zinc/15/60/80/714156080.db2.gz RHTNGZZVWXFTAS-ZDUSSCGKSA-N 1 2 314.313 1.602 20 5 DDBDLO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC000933193867 714532857 /nfs/dbraw/zinc/53/28/57/714532857.db2.gz ZZXODXIYRRRIFU-CYBMUJFWSA-N 1 2 310.350 1.902 20 5 DDBDLO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC000933193867 714532860 /nfs/dbraw/zinc/53/28/60/714532860.db2.gz ZZXODXIYRRRIFU-CYBMUJFWSA-N 1 2 310.350 1.902 20 5 DDBDLO CN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001100380399 739267092 /nfs/dbraw/zinc/26/70/92/739267092.db2.gz JURWWICNEHBMFT-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO CN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001100380399 739267094 /nfs/dbraw/zinc/26/70/94/739267094.db2.gz JURWWICNEHBMFT-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO Cc1nn(CC[N@H+]2CCOC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC001188854010 744785003 /nfs/dbraw/zinc/78/50/03/744785003.db2.gz OCOVKFHFHFUTPD-SNVBAGLBSA-N 1 2 305.338 1.369 20 5 DDBDLO Cc1nn(CC[N@@H+]2CCOC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC001188854010 744785006 /nfs/dbraw/zinc/78/50/06/744785006.db2.gz OCOVKFHFHFUTPD-SNVBAGLBSA-N 1 2 305.338 1.369 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001169651964 762573622 /nfs/dbraw/zinc/57/36/22/762573622.db2.gz VEXNAYPKAFFSDQ-VIFPVBQESA-N 1 2 321.312 1.420 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001169651964 762573627 /nfs/dbraw/zinc/57/36/27/762573627.db2.gz VEXNAYPKAFFSDQ-VIFPVBQESA-N 1 2 321.312 1.420 20 5 DDBDLO COc1ccc(C[C@H](C)[N@@H+]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170336529 766257463 /nfs/dbraw/zinc/25/74/63/766257463.db2.gz YSOIEHSQUIPHNM-NSHDSACASA-N 1 2 307.350 1.356 20 5 DDBDLO COc1ccc(C[C@H](C)[N@H+]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170336529 766257468 /nfs/dbraw/zinc/25/74/68/766257468.db2.gz YSOIEHSQUIPHNM-NSHDSACASA-N 1 2 307.350 1.356 20 5 DDBDLO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170336318 766257731 /nfs/dbraw/zinc/25/77/31/766257731.db2.gz WIRWZKGXTGOVIU-VZJVUDMVSA-N 1 2 312.341 1.939 20 5 DDBDLO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170336318 766257735 /nfs/dbraw/zinc/25/77/35/766257735.db2.gz WIRWZKGXTGOVIU-VZJVUDMVSA-N 1 2 312.341 1.939 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093750128 775052452 /nfs/dbraw/zinc/05/24/52/775052452.db2.gz LYAMNXUBTZSOLA-UHFFFAOYSA-N 1 2 321.312 1.238 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093776978 775101348 /nfs/dbraw/zinc/10/13/48/775101348.db2.gz QCVREVGKPOCLES-UHFFFAOYSA-N 1 2 303.322 1.397 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094504161 775941796 /nfs/dbraw/zinc/94/17/96/775941796.db2.gz INKVYORNZBVXBS-UHFFFAOYSA-N 1 2 317.349 1.489 20 5 DDBDLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001100354126 776042807 /nfs/dbraw/zinc/04/28/07/776042807.db2.gz LBXKLXGWUQRQPD-UHFFFAOYSA-N 1 2 303.322 1.113 20 5 DDBDLO C[N@H+](CCNC(=O)C(=O)C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001267189637 837501503 /nfs/dbraw/zinc/50/15/03/837501503.db2.gz YXUQTBSQSNSCLW-UHFFFAOYSA-N 1 2 321.377 1.758 20 5 DDBDLO C[N@@H+](CCNC(=O)C(=O)C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001267189637 837501517 /nfs/dbraw/zinc/50/15/17/837501517.db2.gz YXUQTBSQSNSCLW-UHFFFAOYSA-N 1 2 321.377 1.758 20 5 DDBDLO Cc1ccnc(NCC(C)(C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001328473978 862995055 /nfs/dbraw/zinc/99/50/55/862995055.db2.gz ZBUNBSSLXDMFED-UHFFFAOYSA-N 1 2 307.398 1.736 20 5 DDBDLO CCN(CCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001157462205 863836049 /nfs/dbraw/zinc/83/60/49/863836049.db2.gz DBXBBZCLYIFEGB-UHFFFAOYSA-N 1 2 311.729 1.605 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001158259501 864523238 /nfs/dbraw/zinc/52/32/38/864523238.db2.gz NHFJJBHMJLIFHH-MFKMUULPSA-N 1 2 316.317 1.458 20 5 DDBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160726123 866077617 /nfs/dbraw/zinc/07/76/17/866077617.db2.gz RWUVRIYWDZKLFP-GXTWGEPZSA-N 1 2 322.365 1.202 20 5 DDBDLO CN(C)C(=O)OCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001320968614 867161582 /nfs/dbraw/zinc/16/15/82/867161582.db2.gz IIXLYQDJLVQDSY-UHFFFAOYSA-N 1 2 322.365 1.415 20 5 DDBDLO COc1cc([C@H](C)[NH2+]Cc2nnc(C)n2C)cc([N+](=O)[O-])c1 ZINC001335256539 868180389 /nfs/dbraw/zinc/18/03/89/868180389.db2.gz RQLHAMSXUSGQCF-VIFPVBQESA-N 1 2 305.338 1.891 20 5 DDBDLO Nc1nc(N2CCC(Nc3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC001164165363 868986381 /nfs/dbraw/zinc/98/63/81/868986381.db2.gz ZBMDKYGRRBJPOQ-UHFFFAOYSA-N 1 2 315.337 1.443 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2cc(F)c(OC)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001164308698 869112820 /nfs/dbraw/zinc/11/28/20/869112820.db2.gz PVJODVFWZGAQLO-WPRPVWTQSA-N 1 2 313.285 1.058 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001303339563 871120342 /nfs/dbraw/zinc/12/03/42/871120342.db2.gz PNJKRLVXAMZEFP-LLVKDONJSA-N 1 2 322.365 1.018 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001303339563 871120356 /nfs/dbraw/zinc/12/03/56/871120356.db2.gz PNJKRLVXAMZEFP-LLVKDONJSA-N 1 2 322.365 1.018 20 5 DDBDLO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001345719708 873488384 /nfs/dbraw/zinc/48/83/84/873488384.db2.gz PHZLXQIRIZAJEB-FZMZJTMJSA-N 1 2 321.381 1.351 20 5 DDBDLO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001345719708 873488393 /nfs/dbraw/zinc/48/83/93/873488393.db2.gz PHZLXQIRIZAJEB-FZMZJTMJSA-N 1 2 321.381 1.351 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CCC1(O)CCC1)C2 ZINC001354431386 877981032 /nfs/dbraw/zinc/98/10/32/877981032.db2.gz MGNFYPLCXNNYQU-OAHLLOKOSA-N 1 2 306.362 1.967 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CCC1(O)CCC1)C2 ZINC001354431386 877981041 /nfs/dbraw/zinc/98/10/41/877981041.db2.gz MGNFYPLCXNNYQU-OAHLLOKOSA-N 1 2 306.362 1.967 20 5 DDBDLO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001233983177 887525680 /nfs/dbraw/zinc/52/56/80/887525680.db2.gz QZWNWFOJMHYIFZ-ZDUSSCGKSA-N 1 2 324.377 1.614 20 5 DDBDLO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1OC ZINC000278344454 214103461 /nfs/dbraw/zinc/10/34/61/214103461.db2.gz HXYOQIINFXUBRG-BETUJISGSA-N 1 2 311.294 1.349 20 5 DDBDLO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1OC ZINC000278344454 214103465 /nfs/dbraw/zinc/10/34/65/214103465.db2.gz HXYOQIINFXUBRG-BETUJISGSA-N 1 2 311.294 1.349 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000451234991 231042150 /nfs/dbraw/zinc/04/21/50/231042150.db2.gz NCMDKBDPMMAXSD-LLVKDONJSA-N 1 2 320.267 1.807 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000451234991 231042153 /nfs/dbraw/zinc/04/21/53/231042153.db2.gz NCMDKBDPMMAXSD-LLVKDONJSA-N 1 2 320.267 1.807 20 5 DDBDLO CC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000422126990 529708158 /nfs/dbraw/zinc/70/81/58/529708158.db2.gz CNBBYLZQBCPDOB-NSHDSACASA-N 1 2 304.306 1.281 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000299431545 529788837 /nfs/dbraw/zinc/78/88/37/529788837.db2.gz MSJIDCVBWOBBEJ-KTRBRXNASA-N 1 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ZINC000172299907 198074347 /nfs/dbraw/zinc/07/43/47/198074347.db2.gz ZZRAGSNQCDZQPL-GFCCVEGCSA-N 1 2 323.349 1.007 20 5 DDBDLO CCNC(=O)CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029671882 352243257 /nfs/dbraw/zinc/24/32/57/352243257.db2.gz XYFPBRRSXXDLPL-CYBMUJFWSA-N 1 2 320.393 1.410 20 5 DDBDLO CCNC(=O)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029671882 352243262 /nfs/dbraw/zinc/24/32/62/352243262.db2.gz XYFPBRRSXXDLPL-CYBMUJFWSA-N 1 2 320.393 1.410 20 5 DDBDLO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000029958214 352247353 /nfs/dbraw/zinc/24/73/53/352247353.db2.gz MMUKXAMWXZCRPX-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000044898631 352397052 /nfs/dbraw/zinc/39/70/52/352397052.db2.gz JVCWKZICZXJRTP-UHFFFAOYSA-N 1 2 322.365 1.285 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000044898631 352397053 /nfs/dbraw/zinc/39/70/53/352397053.db2.gz JVCWKZICZXJRTP-UHFFFAOYSA-N 1 2 322.365 1.285 20 5 DDBDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000052669152 352622086 /nfs/dbraw/zinc/62/20/86/352622086.db2.gz BKJDVTKZYPBPGP-LBPRGKRZSA-N 1 2 313.379 1.108 20 5 DDBDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000052669152 352622089 /nfs/dbraw/zinc/62/20/89/352622089.db2.gz BKJDVTKZYPBPGP-LBPRGKRZSA-N 1 2 313.379 1.108 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067004168 353030896 /nfs/dbraw/zinc/03/08/96/353030896.db2.gz NGVDSVQOVJJJEM-LLVKDONJSA-N 1 2 303.322 1.679 20 5 DDBDLO COC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244011 198309979 /nfs/dbraw/zinc/30/99/79/198309979.db2.gz LRPSWRZTPMNNLF-LLVKDONJSA-N 1 2 308.334 2.000 20 5 DDBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 ZINC000255753903 354388089 /nfs/dbraw/zinc/38/80/89/354388089.db2.gz HCSNZJAPZQGYLR-YBGXSUTOSA-N 1 2 305.334 1.183 20 5 DDBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 ZINC000255753903 354388091 /nfs/dbraw/zinc/38/80/91/354388091.db2.gz HCSNZJAPZQGYLR-YBGXSUTOSA-N 1 2 305.334 1.183 20 5 DDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000290092566 354442307 /nfs/dbraw/zinc/44/23/07/354442307.db2.gz DVDIBZQXUABDCL-UHFFFAOYSA-N 1 2 324.362 1.369 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000290223735 354442433 /nfs/dbraw/zinc/44/24/33/354442433.db2.gz OYLGQICEKQQPSU-UHFFFAOYSA-N 1 2 310.335 1.115 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH+]cn1C ZINC000291395701 354446483 /nfs/dbraw/zinc/44/64/83/354446483.db2.gz DDKLWMBMNYGEDA-UHFFFAOYSA-N 1 2 304.306 1.657 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CCO1 ZINC000589861946 355027391 /nfs/dbraw/zinc/02/73/91/355027391.db2.gz ZMVGAMISVAUNPS-GFCCVEGCSA-N 1 2 316.361 1.698 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CCO1 ZINC000589861946 355027396 /nfs/dbraw/zinc/02/73/96/355027396.db2.gz ZMVGAMISVAUNPS-GFCCVEGCSA-N 1 2 316.361 1.698 20 5 DDBDLO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[NH+]2CCSCC2)nn1 ZINC000594652767 356275593 /nfs/dbraw/zinc/27/55/93/356275593.db2.gz ODALMUIUOVSJCE-UHFFFAOYSA-N 1 2 321.362 1.430 20 5 DDBDLO COc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594957110 356363865 /nfs/dbraw/zinc/36/38/65/356363865.db2.gz MUFZORVXQVXTOM-KOLCDFICSA-N 1 2 303.322 1.991 20 5 DDBDLO Cn1cc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000595330789 356452096 /nfs/dbraw/zinc/45/20/96/356452096.db2.gz FCIRRDFYWDQPKY-UHFFFAOYSA-N 1 2 319.340 1.790 20 5 DDBDLO Cc1noc(C[NH+]2CCC(N3CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000595299759 356439096 /nfs/dbraw/zinc/43/90/96/356439096.db2.gz CHJMGWPOIUWCJP-UHFFFAOYSA-N 1 2 308.338 1.478 20 5 DDBDLO COc1cc(C[N@H+](C)C[C@@H]2COCCO2)c([N+](=O)[O-])cc1F ZINC000595736484 356627882 /nfs/dbraw/zinc/62/78/82/356627882.db2.gz LWZLQBFICCGELP-LLVKDONJSA-N 1 2 314.313 1.590 20 5 DDBDLO COc1cc(C[N@@H+](C)C[C@@H]2COCCO2)c([N+](=O)[O-])cc1F ZINC000595736484 356627884 /nfs/dbraw/zinc/62/78/84/356627884.db2.gz LWZLQBFICCGELP-LLVKDONJSA-N 1 2 314.313 1.590 20 5 DDBDLO O=C(NCC1CSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597747585 357315561 /nfs/dbraw/zinc/31/55/61/357315561.db2.gz DLYFWADVILTSJM-UHFFFAOYSA-N 1 2 318.358 1.873 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597857090 357359927 /nfs/dbraw/zinc/35/99/27/357359927.db2.gz KXHOTAPCLRNMDY-UHFFFAOYSA-N 1 2 304.306 1.989 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597857090 357359932 /nfs/dbraw/zinc/35/99/32/357359932.db2.gz KXHOTAPCLRNMDY-UHFFFAOYSA-N 1 2 304.306 1.989 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597992141 357409170 /nfs/dbraw/zinc/40/91/70/357409170.db2.gz BCJUCNYQJPRXHV-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597992141 357409173 /nfs/dbraw/zinc/40/91/73/357409173.db2.gz BCJUCNYQJPRXHV-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040113 357437997 /nfs/dbraw/zinc/43/79/97/357437997.db2.gz CNMXGWZJVRLSJI-LBPRGKRZSA-N 1 2 307.350 1.857 20 5 DDBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598040113 357438001 /nfs/dbraw/zinc/43/80/01/357438001.db2.gz CNMXGWZJVRLSJI-LBPRGKRZSA-N 1 2 307.350 1.857 20 5 DDBDLO CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598462328 357592207 /nfs/dbraw/zinc/59/22/07/357592207.db2.gz ZUSSPBMMQJSKRM-HIFRSBDPSA-N 1 2 316.317 1.688 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950211 357773125 /nfs/dbraw/zinc/77/31/25/357773125.db2.gz PKIDAYJDJUTBPZ-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000598949726 357773222 /nfs/dbraw/zinc/77/32/22/357773222.db2.gz NBULWLFHBXIZIE-NSHDSACASA-N 1 2 315.333 1.634 20 5 DDBDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000598949726 357773224 /nfs/dbraw/zinc/77/32/24/357773224.db2.gz NBULWLFHBXIZIE-NSHDSACASA-N 1 2 315.333 1.634 20 5 DDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cn1 ZINC000599129896 357824369 /nfs/dbraw/zinc/82/43/69/357824369.db2.gz DLOZBGRTILKOHI-HNNXBMFYSA-N 1 2 322.365 1.018 20 5 DDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cn1 ZINC000599129896 357824372 /nfs/dbraw/zinc/82/43/72/357824372.db2.gz DLOZBGRTILKOHI-HNNXBMFYSA-N 1 2 322.365 1.018 20 5 DDBDLO C[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])S(C)(=O)=O ZINC000599060396 357805280 /nfs/dbraw/zinc/80/52/80/357805280.db2.gz SDODOLZPSKXLRP-SECBINFHSA-N 1 2 309.347 1.988 20 5 DDBDLO O=C1CC[C@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCN12 ZINC000599065741 357806936 /nfs/dbraw/zinc/80/69/36/357806936.db2.gz QTKFWFAXMOBEFC-LBPRGKRZSA-N 1 2 312.329 1.954 20 5 DDBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788770 359192999 /nfs/dbraw/zinc/19/29/99/359192999.db2.gz RAGQLZFOZSOCGO-ZDUSSCGKSA-N 1 2 304.354 1.707 20 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359284046 /nfs/dbraw/zinc/28/40/46/359284046.db2.gz TXDYOPWNQBLLJV-NOZJJQNGSA-N 1 2 318.324 1.844 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000602903942 359284051 /nfs/dbraw/zinc/28/40/51/359284051.db2.gz TXDYOPWNQBLLJV-NOZJJQNGSA-N 1 2 318.324 1.844 20 5 DDBDLO COC1(CO)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618551294 363669094 /nfs/dbraw/zinc/66/90/94/363669094.db2.gz SDWDBNZSANAEGZ-UHFFFAOYSA-N 1 2 320.349 1.444 20 5 DDBDLO CO[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189358058 200387081 /nfs/dbraw/zinc/38/70/81/200387081.db2.gz URAMTTKSGICTAA-RISCZKNCSA-N 1 2 307.350 1.890 20 5 DDBDLO CO[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189358058 200387083 /nfs/dbraw/zinc/38/70/83/200387083.db2.gz URAMTTKSGICTAA-RISCZKNCSA-N 1 2 307.350 1.890 20 5 DDBDLO CC(C)(C)CC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447587 360438178 /nfs/dbraw/zinc/43/81/78/360438178.db2.gz MAZFSCYXTZFFSZ-UHFFFAOYSA-N 1 2 323.397 1.372 20 5 DDBDLO C[C@H]1COCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610991092 360593642 /nfs/dbraw/zinc/59/36/42/360593642.db2.gz BTUDLMZHWSXYEE-LBPRGKRZSA-N 1 2 319.361 1.595 20 5 DDBDLO C[C@H]1COCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610991092 360593643 /nfs/dbraw/zinc/59/36/43/360593643.db2.gz BTUDLMZHWSXYEE-LBPRGKRZSA-N 1 2 319.361 1.595 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 ZINC000611845344 360839994 /nfs/dbraw/zinc/83/99/94/360839994.db2.gz DZNGCBDNXHYTTB-UHFFFAOYSA-N 1 2 315.333 1.825 20 5 DDBDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193229605 201009493 /nfs/dbraw/zinc/00/94/93/201009493.db2.gz BRTNFLYGOYHTFT-UHFFFAOYSA-N 1 2 312.391 1.994 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000349783923 284051954 /nfs/dbraw/zinc/05/19/54/284051954.db2.gz NXYUSJZQURFTEP-UHFFFAOYSA-N 1 2 310.335 1.115 20 5 DDBDLO Cc1[nH+]ccn1CCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283018028 217390465 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/nfs/dbraw/zinc/54/26/09/418542609.db2.gz VSXVQGLPSMRIJW-UHFFFAOYSA-N 1 2 306.297 1.825 20 5 DDBDLO CCN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1=O ZINC000425911071 419366289 /nfs/dbraw/zinc/36/62/89/419366289.db2.gz ABZVPWZVJVKUJS-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CCN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1=O ZINC000425911071 419366295 /nfs/dbraw/zinc/36/62/95/419366295.db2.gz ABZVPWZVJVKUJS-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427997931 419785560 /nfs/dbraw/zinc/78/55/60/419785560.db2.gz UDJHNDACPZGURM-CYBMUJFWSA-N 1 2 314.345 1.855 20 5 DDBDLO Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428000744 419785676 /nfs/dbraw/zinc/78/56/76/419785676.db2.gz LYGDMPHIFDIJDS-LBPRGKRZSA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428009868 419788446 /nfs/dbraw/zinc/78/84/46/419788446.db2.gz VJELWFRMWNXGAW-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO COc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1[N+](=O)[O-] ZINC000434074983 420254959 /nfs/dbraw/zinc/25/49/59/420254959.db2.gz LMXFEZBVUIDHAB-UHFFFAOYSA-N 1 2 309.713 2.241 20 5 DDBDLO COc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1[N+](=O)[O-] ZINC000434074983 420254964 /nfs/dbraw/zinc/25/49/64/420254964.db2.gz LMXFEZBVUIDHAB-UHFFFAOYSA-N 1 2 309.713 2.241 20 5 DDBDLO CN(C)c1[nH+]cccc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439092420 420478939 /nfs/dbraw/zinc/47/89/39/420478939.db2.gz BXHOVNCNNRNOED-UHFFFAOYSA-N 1 2 315.333 1.767 20 5 DDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000492722809 420641010 /nfs/dbraw/zinc/64/10/10/420641010.db2.gz VOWDUZSUODGRCE-SZZPACECSA-N 1 2 312.329 1.936 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447661270 420790493 /nfs/dbraw/zinc/79/04/93/420790493.db2.gz PVPSOALLXTXSOO-LBPRGKRZSA-N 1 2 307.350 1.388 20 5 DDBDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000459833755 420887683 /nfs/dbraw/zinc/88/76/83/420887683.db2.gz VAKOPTPUZPLHNC-NWDGAFQWSA-N 1 2 320.305 1.148 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449430585 421011667 /nfs/dbraw/zinc/01/16/67/421011667.db2.gz BZKNDTNBZYKUSW-SGIREYDYSA-N 1 2 322.361 1.662 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449430585 421011671 /nfs/dbraw/zinc/01/16/71/421011671.db2.gz BZKNDTNBZYKUSW-SGIREYDYSA-N 1 2 322.361 1.662 20 5 DDBDLO Nc1nccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000548386425 421431076 /nfs/dbraw/zinc/43/10/76/421431076.db2.gz QZSBJLYIFOKDLD-UHFFFAOYSA-N 1 2 316.321 1.246 20 5 DDBDLO CNc1nccc(C(=O)NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000520253073 421743455 /nfs/dbraw/zinc/74/34/55/421743455.db2.gz PGWGGGDJMQTUKD-UHFFFAOYSA-N 1 2 315.333 1.973 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000544366228 421844861 /nfs/dbraw/zinc/84/48/61/421844861.db2.gz ZAZCCTIGKFCTDO-UHFFFAOYSA-N 1 2 322.752 1.883 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000581379221 421962346 /nfs/dbraw/zinc/96/23/46/421962346.db2.gz HCKQCLKJZJEQKV-QMMMGPOBSA-N 1 2 304.310 1.279 20 5 DDBDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000014191744 263248569 /nfs/dbraw/zinc/24/85/69/263248569.db2.gz ORFVDTPBEFDKRS-UHFFFAOYSA-N 1 2 303.322 1.399 20 5 DDBDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000014191744 263248571 /nfs/dbraw/zinc/24/85/71/263248571.db2.gz ORFVDTPBEFDKRS-UHFFFAOYSA-N 1 2 303.322 1.399 20 5 DDBDLO CC(=O)N1CC[NH+](CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341567055 271121707 /nfs/dbraw/zinc/12/17/07/271121707.db2.gz SIKFUUVNBFZUQE-UHFFFAOYSA-N 1 2 310.329 1.310 20 5 DDBDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000343268286 271708239 /nfs/dbraw/zinc/70/82/39/271708239.db2.gz IDYIJANMQZAAHX-CQSZACIVSA-N 1 2 321.377 1.977 20 5 DDBDLO Cc1[nH]nc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000346044688 272397672 /nfs/dbraw/zinc/39/76/72/272397672.db2.gz YPMCZWCWAJBPKN-LLVKDONJSA-N 1 2 317.305 1.315 20 5 DDBDLO Cc1n[nH]c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000346044688 272397674 /nfs/dbraw/zinc/39/76/74/272397674.db2.gz YPMCZWCWAJBPKN-LLVKDONJSA-N 1 2 317.305 1.315 20 5 DDBDLO CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000188327453 281362540 /nfs/dbraw/zinc/36/25/40/281362540.db2.gz TWAPYGJYIHAMPY-JTQLQIEISA-N 1 2 318.337 1.971 20 5 DDBDLO CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000188327453 281362543 /nfs/dbraw/zinc/36/25/43/281362543.db2.gz TWAPYGJYIHAMPY-JTQLQIEISA-N 1 2 318.337 1.971 20 5 DDBDLO Cc1nc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000268435816 281929134 /nfs/dbraw/zinc/92/91/34/281929134.db2.gz BYJZXSNTIOCQTB-JTQLQIEISA-N 1 2 321.406 1.912 20 5 DDBDLO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000248452204 300219488 /nfs/dbraw/zinc/21/94/88/300219488.db2.gz GHMCDFNLTWMIHI-GXFFZTMASA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000248452204 300219490 /nfs/dbraw/zinc/21/94/90/300219490.db2.gz GHMCDFNLTWMIHI-GXFFZTMASA-N 1 2 307.350 1.713 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C)CC2)cc1C ZINC000060436666 301426083 /nfs/dbraw/zinc/42/60/83/301426083.db2.gz VZBNZIYRQHQNAK-UHFFFAOYSA-N 1 2 313.379 1.148 20 5 DDBDLO Cc1nn(C)c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000371559165 301477214 /nfs/dbraw/zinc/47/72/14/301477214.db2.gz FSNKRHKZHQGUAR-VIFPVBQESA-N 1 2 304.310 1.337 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000372710991 301603012 /nfs/dbraw/zinc/60/30/12/301603012.db2.gz FFMWIUVTOCXOHW-SNVBAGLBSA-N 1 2 315.333 1.540 20 5 DDBDLO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530855962 303217045 /nfs/dbraw/zinc/21/70/45/303217045.db2.gz YEPZLADSZHKFAZ-GFCCVEGCSA-N 1 2 309.366 1.874 20 5 DDBDLO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000530855962 303217046 /nfs/dbraw/zinc/21/70/46/303217046.db2.gz YEPZLADSZHKFAZ-GFCCVEGCSA-N 1 2 309.366 1.874 20 5 DDBDLO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000576564946 308323332 /nfs/dbraw/zinc/32/33/32/308323332.db2.gz JCRCDKTYAYJSAL-ZDUSSCGKSA-N 1 2 312.345 1.898 20 5 DDBDLO Cc1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000488728333 484215143 /nfs/dbraw/zinc/21/51/43/484215143.db2.gz BYTQPAMMCAQLKL-UHFFFAOYSA-N 1 2 302.338 1.727 20 5 DDBDLO COc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451440676 533825344 /nfs/dbraw/zinc/82/53/44/533825344.db2.gz XLDADTWHWTVEEW-CYBMUJFWSA-N 1 2 320.267 1.944 20 5 DDBDLO COc1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000451440676 533825352 /nfs/dbraw/zinc/82/53/52/533825352.db2.gz XLDADTWHWTVEEW-CYBMUJFWSA-N 1 2 320.267 1.944 20 5 DDBDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000292783380 533898911 /nfs/dbraw/zinc/89/89/11/533898911.db2.gz XNTFFSHJELLPFM-UHFFFAOYSA-N 1 2 324.356 1.428 20 5 DDBDLO COC(=O)/C(C)=C/C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746494190 700027242 /nfs/dbraw/zinc/02/72/42/700027242.db2.gz QPMOCOSENPMEMX-NTUHNPAUSA-N 1 2 319.361 1.836 20 5 DDBDLO Cc1nn(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000131078616 696803880 /nfs/dbraw/zinc/80/38/80/696803880.db2.gz FCKJQTVRLANNBX-NWDGAFQWSA-N 1 2 312.395 1.572 20 5 DDBDLO Cc1nn(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000131078616 696803881 /nfs/dbraw/zinc/80/38/81/696803881.db2.gz FCKJQTVRLANNBX-NWDGAFQWSA-N 1 2 312.395 1.572 20 5 DDBDLO Cc1cncc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136788 697015286 /nfs/dbraw/zinc/01/52/86/697015286.db2.gz HBFYCXZSQNEXFR-HUUCEWRRSA-N 1 2 318.377 1.090 20 5 DDBDLO Cc1cncc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136788 697015289 /nfs/dbraw/zinc/01/52/89/697015289.db2.gz HBFYCXZSQNEXFR-HUUCEWRRSA-N 1 2 318.377 1.090 20 5 DDBDLO C[N@H+](CCC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000162900583 697331138 /nfs/dbraw/zinc/33/11/38/697331138.db2.gz VBEYMJRKRXVVLJ-UHFFFAOYSA-N 1 2 303.318 1.880 20 5 DDBDLO C[N@@H+](CCC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000162900583 697331140 /nfs/dbraw/zinc/33/11/40/697331140.db2.gz VBEYMJRKRXVVLJ-UHFFFAOYSA-N 1 2 303.318 1.880 20 5 DDBDLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800378786 700219499 /nfs/dbraw/zinc/21/94/99/700219499.db2.gz GOIMBVZPXHYJRE-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000800378786 700219500 /nfs/dbraw/zinc/21/95/00/700219500.db2.gz GOIMBVZPXHYJRE-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000725787997 699334107 /nfs/dbraw/zinc/33/41/07/699334107.db2.gz ZBYSUBBGQQICFO-GFCCVEGCSA-N 1 2 323.397 1.622 20 5 DDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCCNC1=O ZINC000751472678 700293248 /nfs/dbraw/zinc/29/32/48/700293248.db2.gz WOURTHZOJHXYSB-GFCCVEGCSA-N 1 2 318.333 1.837 20 5 DDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCCNC1=O ZINC000751472678 700293252 /nfs/dbraw/zinc/29/32/52/700293252.db2.gz WOURTHZOJHXYSB-GFCCVEGCSA-N 1 2 318.333 1.837 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802230757 700383312 /nfs/dbraw/zinc/38/33/12/700383312.db2.gz OHDUFTVMVBRJSK-LLVKDONJSA-N 1 2 312.297 1.804 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802230757 700383315 /nfs/dbraw/zinc/38/33/15/700383315.db2.gz OHDUFTVMVBRJSK-LLVKDONJSA-N 1 2 312.297 1.804 20 5 DDBDLO Cc1cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000753895364 700465303 /nfs/dbraw/zinc/46/53/03/700465303.db2.gz MDTWZPHIKBMMOR-OKILXGFUSA-N 1 2 320.345 1.923 20 5 DDBDLO Cc1cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000753895364 700465304 /nfs/dbraw/zinc/46/53/04/700465304.db2.gz MDTWZPHIKBMMOR-OKILXGFUSA-N 1 2 320.345 1.923 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000805472532 701384023 /nfs/dbraw/zinc/38/40/23/701384023.db2.gz JTEZMGWEGOOMBC-BXUZGUMPSA-N 1 2 308.334 1.920 20 5 DDBDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000805472532 701384024 /nfs/dbraw/zinc/38/40/24/701384024.db2.gz JTEZMGWEGOOMBC-BXUZGUMPSA-N 1 2 308.334 1.920 20 5 DDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[NH+]1CCOCC1 ZINC000807916104 701490964 /nfs/dbraw/zinc/49/09/64/701490964.db2.gz MRNIKCJQVAYZEA-UHFFFAOYSA-N 1 2 307.350 1.932 20 5 DDBDLO CS[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000840115002 701975518 /nfs/dbraw/zinc/97/55/18/701975518.db2.gz UHZCUHFLWRWPBS-SNVBAGLBSA-N 1 2 309.347 1.898 20 5 DDBDLO CS[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000840115002 701975522 /nfs/dbraw/zinc/97/55/22/701975522.db2.gz UHZCUHFLWRWPBS-SNVBAGLBSA-N 1 2 309.347 1.898 20 5 DDBDLO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000817278438 702325179 /nfs/dbraw/zinc/32/51/79/702325179.db2.gz BDPZALRSJGOPLX-KGLIPLIRSA-N 1 2 310.350 1.100 20 5 DDBDLO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000817278438 702325184 /nfs/dbraw/zinc/32/51/84/702325184.db2.gz BDPZALRSJGOPLX-KGLIPLIRSA-N 1 2 310.350 1.100 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864404778 706158475 /nfs/dbraw/zinc/15/84/75/706158475.db2.gz OTZKIUQFBVOXBL-NSCUHMNNSA-N 1 2 305.334 1.730 20 5 DDBDLO O=C(O[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835141014 707180319 /nfs/dbraw/zinc/18/03/19/707180319.db2.gz ARZCLHWCBFJPCY-LLVKDONJSA-N 1 2 303.274 1.726 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351394 707596834 /nfs/dbraw/zinc/59/68/34/707596834.db2.gz RQZXJOFLJBQHOP-MNOVXSKESA-N 1 2 310.329 1.428 20 5 DDBDLO COCCC[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000921187037 713720060 /nfs/dbraw/zinc/72/00/60/713720060.db2.gz BXLQXEFKPSTNDS-UHFFFAOYSA-N 1 2 307.306 1.117 20 5 DDBDLO COCCC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000921187037 713720062 /nfs/dbraw/zinc/72/00/62/713720062.db2.gz BXLQXEFKPSTNDS-UHFFFAOYSA-N 1 2 307.306 1.117 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934263486 714779601 /nfs/dbraw/zinc/77/96/01/714779601.db2.gz CNVHPGLLBOQFAI-JKSUJKDBSA-N 1 2 321.377 1.331 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934263486 714779602 /nfs/dbraw/zinc/77/96/02/714779602.db2.gz CNVHPGLLBOQFAI-JKSUJKDBSA-N 1 2 321.377 1.331 20 5 DDBDLO Cc1nn(C)c(N2CCc3cc[nH+]c(N(C)C)c3C2)c1[N+](=O)[O-] ZINC001120904219 782222551 /nfs/dbraw/zinc/22/25/51/782222551.db2.gz GAVSMXYWBHXNEH-UHFFFAOYSA-N 1 2 316.365 1.660 20 5 DDBDLO O=C(NC1CC[NH+](CC=C(Cl)Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786692 743427985 /nfs/dbraw/zinc/42/79/85/743427985.db2.gz FEGNUQNQXZYDIF-NXEZZACHSA-N 1 2 322.192 1.551 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001169129341 762245612 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ZINC000603274419 359533634 /nfs/dbraw/zinc/53/36/34/359533634.db2.gz BXLIIPYQCLHZSL-UHFFFAOYSA-N 1 2 314.345 1.809 20 5 DDBDLO CCOC(=O)C[N@@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000608779539 360242108 /nfs/dbraw/zinc/24/21/08/360242108.db2.gz YXFJIQJQJYOCPR-UHFFFAOYSA-N 1 2 308.338 1.065 20 5 DDBDLO CCOC(=O)C[N@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000608779539 360242110 /nfs/dbraw/zinc/24/21/10/360242110.db2.gz YXFJIQJQJYOCPR-UHFFFAOYSA-N 1 2 308.338 1.065 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000611815654 360832905 /nfs/dbraw/zinc/83/29/05/360832905.db2.gz VASWALCJPDBTOH-UHFFFAOYSA-N 1 2 319.361 1.954 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000611815654 360832913 /nfs/dbraw/zinc/83/29/13/360832913.db2.gz VASWALCJPDBTOH-UHFFFAOYSA-N 1 2 319.361 1.954 20 5 DDBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282587823 217109146 /nfs/dbraw/zinc/10/91/46/217109146.db2.gz WRTMXRMMSGTRRZ-CYBMUJFWSA-N 1 2 323.324 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Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152949421 407720718 /nfs/dbraw/zinc/72/07/18/407720718.db2.gz HEEIWRLBZOCLHE-UONOGXRCSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152949421 407720724 /nfs/dbraw/zinc/72/07/24/407720724.db2.gz HEEIWRLBZOCLHE-UONOGXRCSA-N 1 2 305.334 1.058 20 5 DDBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186685239 407745079 /nfs/dbraw/zinc/74/50/79/407745079.db2.gz XVXCSIAQCCGVHT-UHFFFAOYSA-N 1 2 321.377 1.966 20 5 DDBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186685239 407745083 /nfs/dbraw/zinc/74/50/83/407745083.db2.gz XVXCSIAQCCGVHT-UHFFFAOYSA-N 1 2 321.377 1.966 20 5 DDBDLO C[C@H](O)CC[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182248993 408106888 /nfs/dbraw/zinc/10/68/88/408106888.db2.gz LWOSZWDCDJLVKR-NSHDSACASA-N 1 2 316.379 1.071 20 5 DDBDLO C[C@H](O)CC[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182248993 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DDBDLO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC ZINC000265175516 408569127 /nfs/dbraw/zinc/56/91/27/408569127.db2.gz VKDWSYXERZXEKB-UHFFFAOYSA-N 1 2 312.322 1.095 20 5 DDBDLO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC ZINC000265175516 408569133 /nfs/dbraw/zinc/56/91/33/408569133.db2.gz VKDWSYXERZXEKB-UHFFFAOYSA-N 1 2 312.322 1.095 20 5 DDBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193649361 408734167 /nfs/dbraw/zinc/73/41/67/408734167.db2.gz SOCZHELMBHBVRL-LBPRGKRZSA-N 1 2 322.321 1.556 20 5 DDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193649361 408734173 /nfs/dbraw/zinc/73/41/73/408734173.db2.gz SOCZHELMBHBVRL-LBPRGKRZSA-N 1 2 322.321 1.556 20 5 DDBDLO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280925361 408860092 /nfs/dbraw/zinc/86/00/92/408860092.db2.gz JXOROYGUVSMSIP-PWSUYJOCSA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280925361 408860093 /nfs/dbraw/zinc/86/00/93/408860093.db2.gz JXOROYGUVSMSIP-PWSUYJOCSA-N 1 2 307.350 1.713 20 5 DDBDLO O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291617111 408895225 /nfs/dbraw/zinc/89/52/25/408895225.db2.gz CPOLYMQXNDUUBT-GFCCVEGCSA-N 1 2 315.333 1.677 20 5 DDBDLO O=C(C[N@H+]1CC[C@@H](n2cccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291617111 408895228 /nfs/dbraw/zinc/89/52/28/408895228.db2.gz CPOLYMQXNDUUBT-GFCCVEGCSA-N 1 2 315.333 1.677 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293359343 409097376 /nfs/dbraw/zinc/09/73/76/409097376.db2.gz ZVIKYVGWRPSGDT-GFCCVEGCSA-N 1 2 323.349 1.389 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000293359343 409097379 /nfs/dbraw/zinc/09/73/79/409097379.db2.gz ZVIKYVGWRPSGDT-GFCCVEGCSA-N 1 2 323.349 1.389 20 5 DDBDLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000294057850 409232085 /nfs/dbraw/zinc/23/20/85/409232085.db2.gz JXANCFLZBHABKX-ZDUSSCGKSA-N 1 2 307.350 1.277 20 5 DDBDLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000294057850 409232089 /nfs/dbraw/zinc/23/20/89/409232089.db2.gz JXANCFLZBHABKX-ZDUSSCGKSA-N 1 2 307.350 1.277 20 5 DDBDLO CCOC(=O)c1ccnc(N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000290637074 409469908 /nfs/dbraw/zinc/46/99/08/409469908.db2.gz HQUUJNKLWNDHHH-UHFFFAOYSA-N 1 2 317.305 1.383 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000408171310 164250162 /nfs/dbraw/zinc/25/01/62/164250162.db2.gz HVYIMSVHHIIJNV-TZMCWYRMSA-N 1 2 320.393 1.764 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000353871674 409527735 /nfs/dbraw/zinc/52/77/35/409527735.db2.gz BATMWFFFQDWHFP-LLVKDONJSA-N 1 2 308.338 1.287 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000353871674 409527743 /nfs/dbraw/zinc/52/77/43/409527743.db2.gz BATMWFFFQDWHFP-LLVKDONJSA-N 1 2 308.338 1.287 20 5 DDBDLO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)n1C ZINC000351507355 410087422 /nfs/dbraw/zinc/08/74/22/410087422.db2.gz MAFVAEYHYBNLPE-MRVPVSSYSA-N 1 2 317.309 1.687 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000298574212 410295481 /nfs/dbraw/zinc/29/54/81/410295481.db2.gz REQZWAOEWOOSNJ-GFCCVEGCSA-N 1 2 312.391 1.851 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000298574212 410295488 /nfs/dbraw/zinc/29/54/88/410295488.db2.gz REQZWAOEWOOSNJ-GFCCVEGCSA-N 1 2 312.391 1.851 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000330494495 410727725 /nfs/dbraw/zinc/72/77/25/410727725.db2.gz SLQKLNVWYIBYFB-GFCCVEGCSA-N 1 2 307.350 1.546 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000330494495 410727730 /nfs/dbraw/zinc/72/77/30/410727730.db2.gz SLQKLNVWYIBYFB-GFCCVEGCSA-N 1 2 307.350 1.546 20 5 DDBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301619309 410755468 /nfs/dbraw/zinc/75/54/68/410755468.db2.gz DHKOVTBDVHEATN-UHFFFAOYSA-N 1 2 322.365 1.373 20 5 DDBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301619309 410755473 /nfs/dbraw/zinc/75/54/73/410755473.db2.gz DHKOVTBDVHEATN-UHFFFAOYSA-N 1 2 322.365 1.373 20 5 DDBDLO CC[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000359685620 410816218 /nfs/dbraw/zinc/81/62/18/410816218.db2.gz UKRHDZNXRQWVSV-LBPRGKRZSA-N 1 2 318.333 1.935 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000348266171 410883627 /nfs/dbraw/zinc/88/36/27/410883627.db2.gz BQQGWWBEVDYMTI-UHFFFAOYSA-N 1 2 304.262 1.029 20 5 DDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccnn1C ZINC000348368000 410938850 /nfs/dbraw/zinc/93/88/50/410938850.db2.gz KIEATXJMVDPJPZ-LLVKDONJSA-N 1 2 317.349 1.787 20 5 DDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccnn1C ZINC000348368000 410938858 /nfs/dbraw/zinc/93/88/58/410938858.db2.gz KIEATXJMVDPJPZ-LLVKDONJSA-N 1 2 317.349 1.787 20 5 DDBDLO O=C1OCC[C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000360332423 411128018 /nfs/dbraw/zinc/12/80/18/411128018.db2.gz DURXBAYCZPHCOA-BXUZGUMPSA-N 1 2 306.318 1.611 20 5 DDBDLO O=C1OCC[C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000360332423 411128020 /nfs/dbraw/zinc/12/80/20/411128020.db2.gz DURXBAYCZPHCOA-BXUZGUMPSA-N 1 2 306.318 1.611 20 5 DDBDLO COc1ccc(C[N@@H+]2CCC[C@@]23CCNC3=O)cc1[N+](=O)[O-] ZINC000580461877 422935146 /nfs/dbraw/zinc/93/51/46/422935146.db2.gz IWRIFCQHMMCFBC-HNNXBMFYSA-N 1 2 305.334 1.458 20 5 DDBDLO COc1ccc(C[N@H+]2CCC[C@@]23CCNC3=O)cc1[N+](=O)[O-] ZINC000580461877 422935147 /nfs/dbraw/zinc/93/51/47/422935147.db2.gz IWRIFCQHMMCFBC-HNNXBMFYSA-N 1 2 305.334 1.458 20 5 DDBDLO CNc1nccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000520836607 416979448 /nfs/dbraw/zinc/97/94/48/416979448.db2.gz UFMKKSRVDGAJPO-JTQLQIEISA-N 1 2 318.337 1.294 20 5 DDBDLO Cc1nc(N2CC[NH+](Cc3ccco3)CC2)ncc1[N+](=O)[O-] ZINC000296617659 226052953 /nfs/dbraw/zinc/05/29/53/226052953.db2.gz UODPSLFMDIGWOW-UHFFFAOYSA-N 1 2 303.322 1.608 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N(C)C)n1 ZINC000191771780 222108638 /nfs/dbraw/zinc/10/86/38/222108638.db2.gz OPENSDDQTDQOFM-UHFFFAOYSA-N 1 2 318.337 1.202 20 5 DDBDLO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000371030745 418756812 /nfs/dbraw/zinc/75/68/12/418756812.db2.gz JJHHUBZIYDYWJF-AVGNSLFASA-N 1 2 306.366 1.663 20 5 DDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]ccn2C1 ZINC000372593682 418885700 /nfs/dbraw/zinc/88/57/00/418885700.db2.gz WXYHNTBLZRHAFS-LVDDQXARSA-N 1 2 312.329 1.936 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000426902337 419567933 /nfs/dbraw/zinc/56/79/33/419567933.db2.gz FHCPTYSVHOQGQR-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000426902337 419567938 /nfs/dbraw/zinc/56/79/38/419567938.db2.gz FHCPTYSVHOQGQR-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2[nH+]ccn21 ZINC000412404585 419757535 /nfs/dbraw/zinc/75/75/35/419757535.db2.gz VPBWMTVCWYCSJT-OIBJUYFYSA-N 1 2 303.278 1.328 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1cccc[nH+]1 ZINC000427910621 419768129 /nfs/dbraw/zinc/76/81/29/419768129.db2.gz BRYFEMZEUJFVSA-UHFFFAOYSA-N 1 2 316.317 1.840 20 5 DDBDLO Cc1c(CNc2cc(NC[C@@H](C)O)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000413270948 419778815 /nfs/dbraw/zinc/77/88/15/419778815.db2.gz WEKYGCAVBQCUCS-SNVBAGLBSA-N 1 2 317.349 2.098 20 5 DDBDLO Cc1c(CNc2cc(NC[C@@H](C)O)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000413270948 419778822 /nfs/dbraw/zinc/77/88/22/419778822.db2.gz WEKYGCAVBQCUCS-SNVBAGLBSA-N 1 2 317.349 2.098 20 5 DDBDLO C[NH+](C)C1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000422003763 419801807 /nfs/dbraw/zinc/80/18/07/419801807.db2.gz DVALQUZVAJAXBI-UHFFFAOYSA-N 1 2 307.350 1.903 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCC2)cc1C ZINC000443723089 230025788 /nfs/dbraw/zinc/02/57/88/230025788.db2.gz WZIHUHRFFUVMIO-UHFFFAOYSA-N 1 2 313.379 1.196 20 5 DDBDLO O=C(C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425549807 420415745 /nfs/dbraw/zinc/41/57/45/420415745.db2.gz OGQAUXUGRDDCNU-JTQLQIEISA-N 1 2 316.321 1.141 20 5 DDBDLO O=C(C[N@H+]1CC[C@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425549807 420415746 /nfs/dbraw/zinc/41/57/46/420415746.db2.gz OGQAUXUGRDDCNU-JTQLQIEISA-N 1 2 316.321 1.141 20 5 DDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000492814906 420674944 /nfs/dbraw/zinc/67/49/44/420674944.db2.gz VMZOHZJQSMGDIB-BHQIHCQQSA-N 1 2 314.301 1.621 20 5 DDBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000451948519 420617293 /nfs/dbraw/zinc/61/72/93/420617293.db2.gz UYQQEDIDRXUSPM-JOYOIKCWSA-N 1 2 322.346 1.776 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069259 420620991 /nfs/dbraw/zinc/62/09/91/420620991.db2.gz PXFATIWVXSUGHI-MNOVXSKESA-N 1 2 323.349 1.245 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069259 420620996 /nfs/dbraw/zinc/62/09/96/420620996.db2.gz PXFATIWVXSUGHI-MNOVXSKESA-N 1 2 323.349 1.245 20 5 DDBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000492947527 420718821 /nfs/dbraw/zinc/71/88/21/420718821.db2.gz ZLJJSPOZJKOHLG-JTQLQIEISA-N 1 2 311.342 1.039 20 5 DDBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000492947527 420718823 /nfs/dbraw/zinc/71/88/23/420718823.db2.gz ZLJJSPOZJKOHLG-JTQLQIEISA-N 1 2 311.342 1.039 20 5 DDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000478970877 420974075 /nfs/dbraw/zinc/97/40/75/420974075.db2.gz YRWQYJUJZHHQHV-LBPRGKRZSA-N 1 2 316.321 1.418 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456413151 421162464 /nfs/dbraw/zinc/16/24/64/421162464.db2.gz HXMYEZSNMCKPEC-APPZFPTMSA-N 1 2 303.278 1.328 20 5 DDBDLO CC1(C)C[NH+](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000563391585 421499951 /nfs/dbraw/zinc/49/99/51/421499951.db2.gz XCLBGJHPGJPNRK-UHFFFAOYSA-N 1 2 304.350 1.216 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522293705 421822755 /nfs/dbraw/zinc/82/27/55/421822755.db2.gz SLKXYJFGFUFKCA-LLVKDONJSA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522293705 421822756 /nfs/dbraw/zinc/82/27/56/421822756.db2.gz SLKXYJFGFUFKCA-LLVKDONJSA-N 1 2 308.338 1.437 20 5 DDBDLO Cc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000341708432 271181186 /nfs/dbraw/zinc/18/11/86/271181186.db2.gz SVLZPGDAZHIISR-VIFPVBQESA-N 1 2 304.310 1.241 20 5 DDBDLO Cc1ccc2[nH+]c(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cn2c1 ZINC000342150889 271321271 /nfs/dbraw/zinc/32/12/71/271321271.db2.gz JHEGNBIVYKDBGR-UHFFFAOYSA-N 1 2 314.305 1.064 20 5 DDBDLO C[C@H](O)C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330604174 278295357 /nfs/dbraw/zinc/29/53/57/278295357.db2.gz GSGDXPJNLFGFPD-NEPJUHHUSA-N 1 2 309.366 1.187 20 5 DDBDLO C[C@H](O)C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330604174 278295359 /nfs/dbraw/zinc/29/53/59/278295359.db2.gz GSGDXPJNLFGFPD-NEPJUHHUSA-N 1 2 309.366 1.187 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452330373 279109687 /nfs/dbraw/zinc/10/96/87/279109687.db2.gz ANOVAKUKVHMYBA-UHFFFAOYSA-N 1 2 318.337 1.661 20 5 DDBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000336861538 279345305 /nfs/dbraw/zinc/34/53/05/279345305.db2.gz CECJMDHYBPWMGM-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCO)CC2 ZINC000285004840 280362886 /nfs/dbraw/zinc/36/28/86/280362886.db2.gz YYHAAYMQVXRNJH-UHFFFAOYSA-N 1 2 301.140 1.708 20 5 DDBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCO)CC2 ZINC000285004840 280362887 /nfs/dbraw/zinc/36/28/87/280362887.db2.gz YYHAAYMQVXRNJH-UHFFFAOYSA-N 1 2 301.140 1.708 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000330411154 280369225 /nfs/dbraw/zinc/36/92/25/280369225.db2.gz 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324.362 1.387 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598949016 357772170 /nfs/dbraw/zinc/77/21/70/357772170.db2.gz RYYZBBZJTNARPZ-SECBINFHSA-N 1 2 304.281 1.675 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nccnn2)CC1 ZINC000599058319 357804713 /nfs/dbraw/zinc/80/47/13/357804713.db2.gz KCFGCOLBLYTMNK-GFCCVEGCSA-N 1 2 314.349 1.663 20 5 DDBDLO CS(=O)(=O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599074458 357808312 /nfs/dbraw/zinc/80/83/12/357808312.db2.gz MJPBOUITMKRYDY-LLVKDONJSA-N 1 2 321.358 1.766 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000599161935 357834833 /nfs/dbraw/zinc/83/48/33/357834833.db2.gz YHQHKGOSJSYOAE-QMMMGPOBSA-N 1 2 309.351 1.342 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000599161935 357834837 /nfs/dbraw/zinc/83/48/37/357834837.db2.gz YHQHKGOSJSYOAE-QMMMGPOBSA-N 1 2 309.351 1.342 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c(C)c1[N+](=O)[O-] ZINC000599353215 357905694 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DDBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000602910789 359288769 /nfs/dbraw/zinc/28/87/69/359288769.db2.gz ZNFJIWAHXONVPL-OAHLLOKOSA-N 1 2 317.349 1.130 20 5 DDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000603373823 359599509 /nfs/dbraw/zinc/59/95/09/359599509.db2.gz GZQZWXXGKHXHEK-UHFFFAOYSA-N 1 2 313.379 1.310 20 5 DDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000603373823 359599512 /nfs/dbraw/zinc/59/95/12/359599512.db2.gz GZQZWXXGKHXHEK-UHFFFAOYSA-N 1 2 313.379 1.310 20 5 DDBDLO Cc1sc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187278504 200087255 /nfs/dbraw/zinc/08/72/55/200087255.db2.gz FQBZGONUVDSVOE-VIFPVBQESA-N 1 2 313.379 1.103 20 5 DDBDLO Cc1sc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187278504 200087257 /nfs/dbraw/zinc/08/72/57/200087257.db2.gz FQBZGONUVDSVOE-VIFPVBQESA-N 1 2 313.379 1.103 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000609443378 360307752 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314.301 1.475 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000733985899 699630675 /nfs/dbraw/zinc/63/06/75/699630675.db2.gz PPABPELJNZAZNK-UHFFFAOYSA-N 1 2 317.261 1.397 20 5 DDBDLO Cc1c([N+](=O)[O-])cc(C(=O)OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000771919881 701336987 /nfs/dbraw/zinc/33/69/87/701336987.db2.gz WINIUYMQGGPIBD-UHFFFAOYSA-N 1 2 320.261 1.865 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816811717 702194999 /nfs/dbraw/zinc/19/49/99/702194999.db2.gz MSQXRQMJCHHVSZ-UHFFFAOYSA-N 1 2 315.333 1.209 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(C)n1 ZINC000841830759 702575494 /nfs/dbraw/zinc/57/54/94/702575494.db2.gz OUDJPCNBRDISSU-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO CON(C)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000850477892 703732928 /nfs/dbraw/zinc/73/29/28/703732928.db2.gz LKWNGKUCEZJFHX-AWEZNQCLSA-N 1 2 319.365 1.501 20 5 DDBDLO CC1(C)OCC(CO)([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CO1 ZINC000851989594 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20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000874698484 705131931 /nfs/dbraw/zinc/13/19/31/705131931.db2.gz FSVZMXSIYGZJSW-CQSZACIVSA-N 1 2 321.377 1.744 20 5 DDBDLO CC(C)(CCC(=O)NCC[N@@H+]1CCOCC1(C)C)[N+](=O)[O-] ZINC000823080322 705133340 /nfs/dbraw/zinc/13/33/40/705133340.db2.gz GYRXBDSOGRXXEX-UHFFFAOYSA-N 1 2 301.387 1.049 20 5 DDBDLO CC(C)(CCC(=O)NCC[N@H+]1CCOCC1(C)C)[N+](=O)[O-] ZINC000823080322 705133345 /nfs/dbraw/zinc/13/33/45/705133345.db2.gz GYRXBDSOGRXXEX-UHFFFAOYSA-N 1 2 301.387 1.049 20 5 DDBDLO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000823904901 705337935 /nfs/dbraw/zinc/33/79/35/705337935.db2.gz BRWSGIMSXZOLNN-UMVBOHGHSA-N 1 2 303.362 1.561 20 5 DDBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877820643 706224581 /nfs/dbraw/zinc/22/45/81/706224581.db2.gz JCOZEKOYGVPWHZ-WPRPVWTQSA-N 1 2 322.287 1.870 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877820643 706224583 /nfs/dbraw/zinc/22/45/83/706224583.db2.gz JCOZEKOYGVPWHZ-WPRPVWTQSA-N 1 2 322.287 1.870 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864885351 706292326 /nfs/dbraw/zinc/29/23/26/706292326.db2.gz WDSPLSPRWAOXER-JTQLQIEISA-N 1 2 306.297 1.678 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000829262932 706310789 /nfs/dbraw/zinc/31/07/89/706310789.db2.gz YRJMAYMBROCMLZ-CABCVRRESA-N 1 2 324.402 1.836 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000829262932 706310792 /nfs/dbraw/zinc/31/07/92/706310792.db2.gz YRJMAYMBROCMLZ-CABCVRRESA-N 1 2 324.402 1.836 20 5 DDBDLO NC(=O)[C@H](F)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000879047459 706572805 /nfs/dbraw/zinc/57/28/05/706572805.db2.gz JNTSMJNOBUHWMU-CYBMUJFWSA-N 1 2 313.304 1.769 20 5 DDBDLO CO[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835236592 707201767 /nfs/dbraw/zinc/20/17/67/707201767.db2.gz SEJZWIMQSBKBMI-JTQLQIEISA-N 1 2 305.290 1.972 20 5 DDBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000882766827 707784057 /nfs/dbraw/zinc/78/40/57/707784057.db2.gz RXHZHQOLNZBPFQ-LBPRGKRZSA-N 1 2 313.379 1.276 20 5 DDBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000882766827 707784061 /nfs/dbraw/zinc/78/40/61/707784061.db2.gz RXHZHQOLNZBPFQ-LBPRGKRZSA-N 1 2 313.379 1.276 20 5 DDBDLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882871585 707830581 /nfs/dbraw/zinc/83/05/81/707830581.db2.gz JXKUYFPVVPVPDE-MGPQQGTHSA-N 1 2 300.318 1.406 20 5 DDBDLO Cc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000930306455 713799206 /nfs/dbraw/zinc/79/92/06/713799206.db2.gz OXWFDUPTHMNOQY-YPMHNXCESA-N 1 2 300.380 1.336 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898484440 708652809 /nfs/dbraw/zinc/65/28/09/708652809.db2.gz SRMPCTLQAPGSTF-GFCCVEGCSA-N 1 2 324.356 1.800 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898484440 708652810 /nfs/dbraw/zinc/65/28/10/708652810.db2.gz SRMPCTLQAPGSTF-GFCCVEGCSA-N 1 2 324.356 1.800 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCn3nncc3C2)c1 ZINC000886461500 708763968 /nfs/dbraw/zinc/76/39/68/708763968.db2.gz YUZMELGASPCVPE-CQSZACIVSA-N 1 2 303.322 1.126 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCn3nncc3C2)c1 ZINC000886461500 708763969 /nfs/dbraw/zinc/76/39/69/708763969.db2.gz YUZMELGASPCVPE-CQSZACIVSA-N 1 2 303.322 1.126 20 5 DDBDLO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)cc1[N+](=O)[O-] ZINC000895977944 711659289 /nfs/dbraw/zinc/65/92/89/711659289.db2.gz KMYPARUBMWAAQH-LBPRGKRZSA-N 1 2 314.363 1.269 20 5 DDBDLO CCN(CCNC(=O)Cn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001100555475 734528346 /nfs/dbraw/zinc/52/83/46/734528346.db2.gz VSTKNAWUBCLOPJ-UHFFFAOYSA-N 1 2 317.349 1.434 20 5 DDBDLO Cc1nc(C2([NH2+]CCn3c(C)ncc3[N+](=O)[O-])CCCC2)no1 ZINC001168069034 741212333 /nfs/dbraw/zinc/21/23/33/741212333.db2.gz QPHFEPFYEPURID-UHFFFAOYSA-N 1 2 320.353 1.850 20 5 DDBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cn2ccnc12 ZINC001168371868 743587720 /nfs/dbraw/zinc/58/77/20/743587720.db2.gz GJNYELJHJJRPND-LLVKDONJSA-N 1 2 317.349 1.518 20 5 DDBDLO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cn2ccnc12 ZINC001168371868 743587727 /nfs/dbraw/zinc/58/77/27/743587727.db2.gz GJNYELJHJJRPND-LLVKDONJSA-N 1 2 317.349 1.518 20 5 DDBDLO CCOC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC001191753267 745601562 /nfs/dbraw/zinc/60/15/62/745601562.db2.gz JUPNBZLWPHPXAQ-UHFFFAOYSA-N 1 2 310.354 1.647 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001197823090 747290364 /nfs/dbraw/zinc/29/03/64/747290364.db2.gz DMTYTJPWKKVBND-SNVBAGLBSA-N 1 2 301.306 1.846 20 5 DDBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001106961230 748337875 /nfs/dbraw/zinc/33/78/75/748337875.db2.gz GGLMSLKMLYCKLX-UHFFFAOYSA-N 1 2 317.349 1.821 20 5 DDBDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001095617712 750085255 /nfs/dbraw/zinc/08/52/55/750085255.db2.gz PNMXOFFWADDHLI-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO O=C(OCc1ccccc1)[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956878 762153948 /nfs/dbraw/zinc/15/39/48/762153948.db2.gz CMQLSIXTZLAFSJ-RBSFLKMASA-N 1 2 322.361 1.126 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2C)C[NH2+]1 ZINC001169129716 762245698 /nfs/dbraw/zinc/24/56/98/762245698.db2.gz FLVRTJHGZBUDLQ-SCZZXKLOSA-N 1 2 324.293 1.127 20 5 DDBDLO Cc1ccc(C[NH+]2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C ZINC001042707179 764375098 /nfs/dbraw/zinc/37/50/98/764375098.db2.gz IWELNIKLBNLHJV-HZPDHXFCSA-N 1 2 317.389 1.611 20 5 DDBDLO Cn1cc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])n1 ZINC001170733773 770723015 /nfs/dbraw/zinc/72/30/15/770723015.db2.gz UYXSSTNWMSCKQT-AWEZNQCLSA-N 1 2 306.322 1.031 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173224704 777059656 /nfs/dbraw/zinc/05/96/56/777059656.db2.gz GLZDSCWKDKQHKZ-RISCZKNCSA-N 1 2 308.334 1.400 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173224704 777059660 /nfs/dbraw/zinc/05/96/60/777059660.db2.gz GLZDSCWKDKQHKZ-RISCZKNCSA-N 1 2 308.334 1.400 20 5 DDBDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173224697 777059669 /nfs/dbraw/zinc/05/96/69/777059669.db2.gz GLZDSCWKDKQHKZ-BXUZGUMPSA-N 1 2 308.334 1.400 20 5 DDBDLO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173224697 777059673 /nfs/dbraw/zinc/05/96/73/777059673.db2.gz GLZDSCWKDKQHKZ-BXUZGUMPSA-N 1 2 308.334 1.400 20 5 DDBDLO Cc1ccc(NCCN(C)C(=O)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001101975737 777756810 /nfs/dbraw/zinc/75/68/10/777756810.db2.gz OTGKKGMYIWQGEL-UHFFFAOYSA-N 1 2 317.349 1.739 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110207196 778580883 /nfs/dbraw/zinc/58/08/83/778580883.db2.gz RYTXBNMCYAJVME-UHFFFAOYSA-N 1 2 316.321 1.016 20 5 DDBDLO C[N@H+](CCNS(C)(=O)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001116330362 780497525 /nfs/dbraw/zinc/49/75/25/780497525.db2.gz YRXULFAEFPCDLT-UHFFFAOYSA-N 1 2 321.786 1.229 20 5 DDBDLO C[N@@H+](CCNS(C)(=O)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001116330362 780497533 /nfs/dbraw/zinc/49/75/33/780497533.db2.gz YRXULFAEFPCDLT-UHFFFAOYSA-N 1 2 321.786 1.229 20 5 DDBDLO CCC(=O)NCCC1=CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001158987284 865017021 /nfs/dbraw/zinc/01/70/21/865017021.db2.gz NEWFORIVCMQALE-UHFFFAOYSA-N 1 2 321.381 1.377 20 5 DDBDLO CCC(=O)NCCC1=CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001158987284 865017025 /nfs/dbraw/zinc/01/70/25/865017025.db2.gz NEWFORIVCMQALE-UHFFFAOYSA-N 1 2 321.381 1.377 20 5 DDBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001331434366 865082817 /nfs/dbraw/zinc/08/28/17/865082817.db2.gz KVSARGBVZHSGGO-JTQLQIEISA-N 1 2 306.326 1.359 20 5 DDBDLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320877128 867092788 /nfs/dbraw/zinc/09/27/88/867092788.db2.gz WYYBAVVPZVCUQH-ABAIWWIYSA-N 1 2 310.350 1.323 20 5 DDBDLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320877128 867092807 /nfs/dbraw/zinc/09/28/07/867092807.db2.gz WYYBAVVPZVCUQH-ABAIWWIYSA-N 1 2 310.350 1.323 20 5 DDBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])c2ccccc12 ZINC001161949881 867131528 /nfs/dbraw/zinc/13/15/28/867131528.db2.gz DILRJSOUEZZYKL-LLVKDONJSA-N 1 2 304.306 1.445 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001302062095 871040901 /nfs/dbraw/zinc/04/09/01/871040901.db2.gz YCQMVQTWBWVZJJ-AWEZNQCLSA-N 1 2 315.333 1.413 20 5 DDBDLO CCOC(=O)C[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001348152798 874384290 /nfs/dbraw/zinc/38/42/90/874384290.db2.gz KIFJLWMVIKDZHO-AWEZNQCLSA-N 1 2 308.334 1.267 20 5 DDBDLO CCOC(=O)C[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001348152798 874384302 /nfs/dbraw/zinc/38/43/02/874384302.db2.gz KIFJLWMVIKDZHO-AWEZNQCLSA-N 1 2 308.334 1.267 20 5 DDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCc1[nH+]ccn1C ZINC001350881863 875942452 /nfs/dbraw/zinc/94/24/52/875942452.db2.gz PBQWOWRKMBXKTC-UHFFFAOYSA-N 1 2 302.334 1.920 20 5 DDBDLO O=C(Nc1nncs1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001351797117 876435946 /nfs/dbraw/zinc/43/59/46/876435946.db2.gz OLAYUERSQAQXFQ-UHFFFAOYSA-N 1 2 316.302 1.884 20 5 DDBDLO CC[N@@H+]1CC[C@@H](Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001228660532 883602824 /nfs/dbraw/zinc/60/28/24/883602824.db2.gz HCVYOPBZGSUHGI-SNVBAGLBSA-N 1 2 314.363 1.471 20 5 DDBDLO CC[N@H+]1CC[C@@H](Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001228660532 883602834 /nfs/dbraw/zinc/60/28/34/883602834.db2.gz HCVYOPBZGSUHGI-SNVBAGLBSA-N 1 2 314.363 1.471 20 5 DDBDLO C[N@@H+]1CCO[C@@H](COc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007198 883769799 /nfs/dbraw/zinc/76/97/99/883769799.db2.gz GVELJQSWCIPKBQ-CYBMUJFWSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007198 883769812 /nfs/dbraw/zinc/76/98/12/883769812.db2.gz GVELJQSWCIPKBQ-CYBMUJFWSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c([N+](=O)[O-])cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230312711 884423613 /nfs/dbraw/zinc/42/36/13/884423613.db2.gz JTSYDAYNHATXJK-ZEGGKSINSA-N 1 2 321.289 1.686 20 5 DDBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c([N+](=O)[O-])cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230312711 884423617 /nfs/dbraw/zinc/42/36/17/884423617.db2.gz JTSYDAYNHATXJK-ZEGGKSINSA-N 1 2 321.289 1.686 20 5 DDBDLO C[NH+](C)CCn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001295972238 916159789 /nfs/dbraw/zinc/15/97/89/916159789.db2.gz LGMRFQYXPFTCHE-UHFFFAOYSA-N 1 2 319.321 1.311 20 5 DDBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000449647458 230625860 /nfs/dbraw/zinc/62/58/60/230625860.db2.gz DJNAEQXAWSCJMJ-MRVPVSSYSA-N 1 2 305.306 1.631 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000451465040 231103800 /nfs/dbraw/zinc/10/38/00/231103800.db2.gz 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CO[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1OC ZINC000617101524 362950550 /nfs/dbraw/zinc/95/05/50/362950550.db2.gz MJIANRRDLGFNCB-GASCZTMLSA-N 1 2 324.333 1.212 20 5 DDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000041816615 352315023 /nfs/dbraw/zinc/31/50/23/352315023.db2.gz PFPMALPLPUAKSU-UHFFFAOYSA-N 1 2 303.322 1.410 20 5 DDBDLO CN(C)c1[nH+]cccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000032687553 352283793 /nfs/dbraw/zinc/28/37/93/352283793.db2.gz NSBSWVSENNWCPK-UHFFFAOYSA-N 1 2 314.345 1.915 20 5 DDBDLO COCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000355653410 290962124 /nfs/dbraw/zinc/96/21/24/290962124.db2.gz FGIPRWZNOQMUOW-CYBMUJFWSA-N 1 2 321.377 1.837 20 5 DDBDLO CCCc1n[nH]c(C(=O)NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000068397085 353108907 /nfs/dbraw/zinc/10/89/07/353108907.db2.gz HDGTXQPVZYDGHF-UHFFFAOYSA-N 1 2 306.326 1.287 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355798277 291011323 /nfs/dbraw/zinc/01/13/23/291011323.db2.gz OXAWPKYKLHNPMR-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355798277 291011327 /nfs/dbraw/zinc/01/13/27/291011327.db2.gz OXAWPKYKLHNPMR-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000157311237 354224182 /nfs/dbraw/zinc/22/41/82/354224182.db2.gz VPTWSWLFYKZCSL-IINYFYTJSA-N 1 2 323.349 1.052 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000157311237 354224184 /nfs/dbraw/zinc/22/41/84/354224184.db2.gz VPTWSWLFYKZCSL-IINYFYTJSA-N 1 2 323.349 1.052 20 5 DDBDLO CCOc1cc(NCCC[N@@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000357244603 291030145 /nfs/dbraw/zinc/03/01/45/291030145.db2.gz IKYUCIDNCFVVMR-UHFFFAOYSA-N 1 2 322.365 1.227 20 5 DDBDLO CCOc1cc(NCCC[N@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000357244603 291030149 /nfs/dbraw/zinc/03/01/49/291030149.db2.gz IKYUCIDNCFVVMR-UHFFFAOYSA-N 1 2 322.365 1.227 20 5 DDBDLO Cc1c(CC(=O)N2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000590379589 355079150 /nfs/dbraw/zinc/07/91/50/355079150.db2.gz WWEDQOKONYMBLP-UHFFFAOYSA-N 1 2 300.318 1.754 20 5 DDBDLO Cc1c(CC(=O)N2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000590379589 355079151 /nfs/dbraw/zinc/07/91/51/355079151.db2.gz WWEDQOKONYMBLP-UHFFFAOYSA-N 1 2 300.318 1.754 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000332593907 235164770 /nfs/dbraw/zinc/16/47/70/235164770.db2.gz FZOCIDAWWFBVNN-UHFFFAOYSA-N 1 2 322.346 1.304 20 5 DDBDLO C[C@H](CCO)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593882523 356040138 /nfs/dbraw/zinc/04/01/38/356040138.db2.gz QBVXOZCMLHPPAK-LLVKDONJSA-N 1 2 318.333 1.623 20 5 DDBDLO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000594017779 356090087 /nfs/dbraw/zinc/09/00/87/356090087.db2.gz NOOQOSCHYQFRTH-LBPRGKRZSA-N 1 2 322.283 1.966 20 5 DDBDLO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000594017779 356090090 /nfs/dbraw/zinc/09/00/90/356090090.db2.gz NOOQOSCHYQFRTH-LBPRGKRZSA-N 1 2 322.283 1.966 20 5 DDBDLO Cc1noc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000594053483 356100046 /nfs/dbraw/zinc/10/00/46/356100046.db2.gz QOQJIOPJEHYLLH-GFCCVEGCSA-N 1 2 322.321 1.158 20 5 DDBDLO Cc1noc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000594053483 356100055 /nfs/dbraw/zinc/10/00/55/356100055.db2.gz QOQJIOPJEHYLLH-GFCCVEGCSA-N 1 2 322.321 1.158 20 5 DDBDLO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000595381990 356473282 /nfs/dbraw/zinc/47/32/82/356473282.db2.gz AVGSZRIUKRUTFZ-JTQLQIEISA-N 1 2 324.362 1.509 20 5 DDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cnccn1 ZINC000595484833 356512254 /nfs/dbraw/zinc/51/22/54/356512254.db2.gz OTLWJZCPPZIIKA-UHFFFAOYSA-N 1 2 315.333 1.498 20 5 DDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cnccn1 ZINC000595484833 356512259 /nfs/dbraw/zinc/51/22/59/356512259.db2.gz OTLWJZCPPZIIKA-UHFFFAOYSA-N 1 2 315.333 1.498 20 5 DDBDLO Cc1noc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC000595455193 356499656 /nfs/dbraw/zinc/49/96/56/356499656.db2.gz SWOMJMIQDGJOCS-UHFFFAOYSA-N 1 2 308.338 1.336 20 5 DDBDLO Cc1noc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC000595455193 356499660 /nfs/dbraw/zinc/49/96/60/356499660.db2.gz SWOMJMIQDGJOCS-UHFFFAOYSA-N 1 2 308.338 1.336 20 5 DDBDLO Cc1noc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595502737 356521653 /nfs/dbraw/zinc/52/16/53/356521653.db2.gz XEWATHQFKKMUIK-NOZJJQNGSA-N 1 2 318.333 1.638 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608830 356575430 /nfs/dbraw/zinc/57/54/30/356575430.db2.gz XESNLHRXMBOCLI-LLVKDONJSA-N 1 2 303.322 1.414 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608830 356575435 /nfs/dbraw/zinc/57/54/35/356575435.db2.gz XESNLHRXMBOCLI-LLVKDONJSA-N 1 2 303.322 1.414 20 5 DDBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](CC(F)(F)F)O1 ZINC000595888896 356693632 /nfs/dbraw/zinc/69/36/32/356693632.db2.gz GRABWYNJPJHZNY-ONGXEEELSA-N 1 2 322.287 1.833 20 5 DDBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](CC(F)(F)F)O1 ZINC000595888896 356693634 /nfs/dbraw/zinc/69/36/34/356693634.db2.gz GRABWYNJPJHZNY-ONGXEEELSA-N 1 2 322.287 1.833 20 5 DDBDLO CN(C[C@H]1COCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596456822 356885062 /nfs/dbraw/zinc/88/50/62/356885062.db2.gz HEQSJRGTCAPJBC-ZDUSSCGKSA-N 1 2 303.318 1.995 20 5 DDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709019 357296299 /nfs/dbraw/zinc/29/62/99/357296299.db2.gz FURZJLXYMNPHLW-HNNXBMFYSA-N 1 2 319.361 1.532 20 5 DDBDLO O=C(NCC1CSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597748282 357315864 /nfs/dbraw/zinc/31/58/64/357315864.db2.gz KUDUVTRRIMBMCS-UHFFFAOYSA-N 1 2 318.358 1.873 20 5 DDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000598738069 357709719 /nfs/dbraw/zinc/70/97/19/357709719.db2.gz DKNWVLGISNIQDX-SNVBAGLBSA-N 1 2 320.353 1.584 20 5 DDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598947733 357770767 /nfs/dbraw/zinc/77/07/67/357770767.db2.gz NHFHGPKOBSWXEF-NSHDSACASA-N 1 2 304.281 1.675 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](CO)[C@@H](O)C1 ZINC000599078637 357808678 /nfs/dbraw/zinc/80/86/78/357808678.db2.gz JCQDEAYYHPCCJC-FZMZJTMJSA-N 1 2 303.318 1.323 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000599161509 357833047 /nfs/dbraw/zinc/83/30/47/357833047.db2.gz QDCCTPINEFBBHO-JTQLQIEISA-N 1 2 317.292 1.939 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000599161509 357833049 /nfs/dbraw/zinc/83/30/49/357833049.db2.gz QDCCTPINEFBBHO-JTQLQIEISA-N 1 2 317.292 1.939 20 5 DDBDLO COC[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000599692217 358027806 /nfs/dbraw/zinc/02/78/06/358027806.db2.gz CYSZSNLMGBQPNV-OAHLLOKOSA-N 1 2 310.350 1.841 20 5 DDBDLO COC[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000599692217 358027810 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CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602901001 359282090 /nfs/dbraw/zinc/28/20/90/359282090.db2.gz XGLWOAZPEHRMJQ-AWEZNQCLSA-N 1 2 309.322 1.228 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000348257321 283436838 /nfs/dbraw/zinc/43/68/38/283436838.db2.gz OZHLLNRGYSDZFS-UHFFFAOYSA-N 1 2 317.301 1.694 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@H+](C)CCO)nn1 ZINC000603184799 359464339 /nfs/dbraw/zinc/46/43/39/359464339.db2.gz AINUJAXVPDBYJY-LLVKDONJSA-N 1 2 305.338 1.220 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@@H+](C)CCO)nn1 ZINC000603184799 359464344 /nfs/dbraw/zinc/46/43/44/359464344.db2.gz AINUJAXVPDBYJY-LLVKDONJSA-N 1 2 305.338 1.220 20 5 DDBDLO CC[NH+](CC)Cc1cn(Cc2cc(O)ccc2[N+](=O)[O-])nn1 ZINC000603225880 359497158 /nfs/dbraw/zinc/49/71/58/359497158.db2.gz ATEFSCBKXMFFCU-UHFFFAOYSA-N 1 2 305.338 1.782 20 5 DDBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CC(n2cc[nH+]c2)C1 ZINC000609624866 360337241 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303.322 1.294 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000264917024 204267108 /nfs/dbraw/zinc/26/71/08/204267108.db2.gz OUJOJMZZJDDSPZ-UHFFFAOYSA-N 1 2 311.313 1.138 20 5 DDBDLO Cn1nncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270981540 248722612 /nfs/dbraw/zinc/72/26/12/248722612.db2.gz DHVDTQOAXUEKQF-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO CCN1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000336957545 249296184 /nfs/dbraw/zinc/29/61/84/249296184.db2.gz XXCIXAHNQBSKSB-VIFPVBQESA-N 1 2 308.367 1.658 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOCC23CC3)c1 ZINC000338590538 250043862 /nfs/dbraw/zinc/04/38/62/250043862.db2.gz AJPXTXLWYYNJNI-ZDUSSCGKSA-N 1 2 308.334 1.199 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOCC23CC3)c1 ZINC000338590538 250043863 /nfs/dbraw/zinc/04/38/63/250043863.db2.gz AJPXTXLWYYNJNI-ZDUSSCGKSA-N 1 2 308.334 1.199 20 5 DDBDLO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000338976376 250228920 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DDBDLO COc1cccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000444032641 533417767 /nfs/dbraw/zinc/41/77/67/533417767.db2.gz DDXKPYCITCANSA-SNVBAGLBSA-N 1 2 304.306 1.618 20 5 DDBDLO COc1cc(C(=O)NCCc2cn(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000457868415 533535483 /nfs/dbraw/zinc/53/54/83/533535483.db2.gz XRAMKXQXVPXMKZ-UHFFFAOYSA-N 1 2 304.306 1.309 20 5 DDBDLO CC(C)[N@H+](CC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072863417 406886524 /nfs/dbraw/zinc/88/65/24/406886524.db2.gz ZHZMWDKZXLIWMS-UHFFFAOYSA-N 1 2 319.321 1.341 20 5 DDBDLO CC(C)[N@@H+](CC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072863417 406886526 /nfs/dbraw/zinc/88/65/26/406886526.db2.gz ZHZMWDKZXLIWMS-UHFFFAOYSA-N 1 2 319.321 1.341 20 5 DDBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000027536829 406911656 /nfs/dbraw/zinc/91/16/56/406911656.db2.gz BRDWLVVMOBKZKC-JTQLQIEISA-N 1 2 323.349 1.387 20 5 DDBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000124802998 407370178 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COc1cc(C(=O)NCc2[nH+]ccn2C)cc([N+](=O)[O-])c1OC ZINC000265922110 407512171 /nfs/dbraw/zinc/51/21/71/407512171.db2.gz CHFAMVHNVZMXLZ-UHFFFAOYSA-N 1 2 320.305 1.276 20 5 DDBDLO Cc1nn(C)c(NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000114708741 407603107 /nfs/dbraw/zinc/60/31/07/407603107.db2.gz KHCYDSYFEQEOCJ-UHFFFAOYSA-N 1 2 313.321 1.830 20 5 DDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000114858829 407629609 /nfs/dbraw/zinc/62/96/09/407629609.db2.gz DPWAHDXSSRJQEH-LBPRGKRZSA-N 1 2 305.334 1.188 20 5 DDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000114858829 407629614 /nfs/dbraw/zinc/62/96/14/407629614.db2.gz DPWAHDXSSRJQEH-LBPRGKRZSA-N 1 2 305.334 1.188 20 5 DDBDLO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000261955761 407687500 /nfs/dbraw/zinc/68/75/00/407687500.db2.gz XCPYCIQUBBLVLN-DOMZBBRYSA-N 1 2 323.349 1.771 20 5 DDBDLO CCc1n[nH]c(C(=O)N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000179023473 407695826 /nfs/dbraw/zinc/69/58/26/407695826.db2.gz VTTYTIBOJXOLBU-UHFFFAOYSA-N 1 2 320.353 1.548 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335262 407830591 /nfs/dbraw/zinc/83/05/91/407830591.db2.gz UESUHGZYRNYEMZ-LLVKDONJSA-N 1 2 321.333 1.614 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335262 407830596 /nfs/dbraw/zinc/83/05/96/407830596.db2.gz UESUHGZYRNYEMZ-LLVKDONJSA-N 1 2 321.333 1.614 20 5 DDBDLO CN(C)c1[nH+]cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1C ZINC000272508056 407954119 /nfs/dbraw/zinc/95/41/19/407954119.db2.gz JLPMKUBNKWXKRX-UHFFFAOYSA-N 1 2 319.321 1.030 20 5 DDBDLO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181984561 408059265 /nfs/dbraw/zinc/05/92/65/408059265.db2.gz GCEMYVRZYZFWOE-UHFFFAOYSA-N 1 2 309.366 1.960 20 5 DDBDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000246164046 408159075 /nfs/dbraw/zinc/15/90/75/408159075.db2.gz OHLIQZFGUOTNTF-MWLCHTKSSA-N 1 2 318.337 1.929 20 5 DDBDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000246164046 408159081 /nfs/dbraw/zinc/15/90/81/408159081.db2.gz OHLIQZFGUOTNTF-MWLCHTKSSA-N 1 2 318.337 1.929 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000131260110 162009555 /nfs/dbraw/zinc/00/95/55/162009555.db2.gz QUWXKTNIJFDGNH-LBPRGKRZSA-N 1 2 317.349 1.359 20 5 DDBDLO Cc1nnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000173470545 162341506 /nfs/dbraw/zinc/34/15/06/162341506.db2.gz IBDSMXKUCOOSLX-SNVBAGLBSA-N 1 2 304.310 1.368 20 5 DDBDLO Cc1nnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000173470545 162341510 /nfs/dbraw/zinc/34/15/10/162341510.db2.gz IBDSMXKUCOOSLX-SNVBAGLBSA-N 1 2 304.310 1.368 20 5 DDBDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183344588 408386007 /nfs/dbraw/zinc/38/60/07/408386007.db2.gz FKPUJHJXCYSTOW-UONOGXRCSA-N 1 2 308.334 1.666 20 5 DDBDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183344588 408386010 /nfs/dbraw/zinc/38/60/10/408386010.db2.gz FKPUJHJXCYSTOW-UONOGXRCSA-N 1 2 308.334 1.666 20 5 DDBDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639916 408622849 /nfs/dbraw/zinc/62/28/49/408622849.db2.gz SOFUCQMWGICQFS-SNVBAGLBSA-N 1 2 320.349 1.403 20 5 DDBDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639916 408622854 /nfs/dbraw/zinc/62/28/54/408622854.db2.gz SOFUCQMWGICQFS-SNVBAGLBSA-N 1 2 320.349 1.403 20 5 DDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000291788863 408923613 /nfs/dbraw/zinc/92/36/13/408923613.db2.gz ALCYDRTYGJUERU-UHFFFAOYSA-N 1 2 316.317 1.603 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000287975351 409124842 /nfs/dbraw/zinc/12/48/42/409124842.db2.gz RBQGCZDGMXWOIK-GFCCVEGCSA-N 1 2 320.393 1.845 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1(C)C ZINC000295961490 409384603 /nfs/dbraw/zinc/38/46/03/409384603.db2.gz RTLWXPOLOHBUHI-SNVBAGLBSA-N 1 2 304.310 1.275 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C(N)=O ZINC000295553171 409343737 /nfs/dbraw/zinc/34/37/37/409343737.db2.gz XHPSQCPGIWABSB-UHFFFAOYSA-N 1 2 309.322 1.157 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C(N)=O ZINC000295553171 409343744 /nfs/dbraw/zinc/34/37/44/409343744.db2.gz XHPSQCPGIWABSB-UHFFFAOYSA-N 1 2 309.322 1.157 20 5 DDBDLO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000295412221 409473650 /nfs/dbraw/zinc/47/36/50/409473650.db2.gz MUIMASYJFKCTNY-UHFFFAOYSA-N 1 2 307.350 1.667 20 5 DDBDLO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000295412221 409473654 /nfs/dbraw/zinc/47/36/54/409473654.db2.gz MUIMASYJFKCTNY-UHFFFAOYSA-N 1 2 307.350 1.667 20 5 DDBDLO O=C(C1CC1)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000338281001 409867745 /nfs/dbraw/zinc/86/77/45/409867745.db2.gz LDOBDLJTCXVTGR-HNNXBMFYSA-N 1 2 320.345 1.654 20 5 DDBDLO O=C(C1CC1)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000338281001 409867753 /nfs/dbraw/zinc/86/77/53/409867753.db2.gz LDOBDLJTCXVTGR-HNNXBMFYSA-N 1 2 320.345 1.654 20 5 DDBDLO Cc1nc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ncc1[N+](=O)[O-] ZINC000297294149 409898220 /nfs/dbraw/zinc/89/82/20/409898220.db2.gz YCPRCIFZFFMRAR-VIFPVBQESA-N 1 2 322.394 1.307 20 5 DDBDLO COc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000354588440 409955916 /nfs/dbraw/zinc/95/59/16/409955916.db2.gz WRQUODYOFFSSMN-SNVBAGLBSA-N 1 2 304.306 1.618 20 5 DDBDLO CCOc1cc(C[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332263882 410024791 /nfs/dbraw/zinc/02/47/91/410024791.db2.gz UEYYJQOXQKDZDV-GOEBONIOSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(C[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332263882 410024796 /nfs/dbraw/zinc/02/47/96/410024796.db2.gz UEYYJQOXQKDZDV-GOEBONIOSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332263882 410024804 /nfs/dbraw/zinc/02/48/04/410024804.db2.gz UEYYJQOXQKDZDV-GOEBONIOSA-N 1 2 321.377 1.508 20 5 DDBDLO CCOc1cc(CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000332263882 410024813 /nfs/dbraw/zinc/02/48/13/410024813.db2.gz UEYYJQOXQKDZDV-GOEBONIOSA-N 1 2 321.377 1.508 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000332283525 410038111 /nfs/dbraw/zinc/03/81/11/410038111.db2.gz YONAKDNFEYYLJG-QWHCGFSZSA-N 1 2 324.312 1.281 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000332283525 410038113 /nfs/dbraw/zinc/03/81/13/410038113.db2.gz YONAKDNFEYYLJG-QWHCGFSZSA-N 1 2 324.312 1.281 20 5 DDBDLO Cn1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000332382656 410113288 /nfs/dbraw/zinc/11/32/88/410113288.db2.gz HNCBPRVSWZZHJZ-UHFFFAOYSA-N 1 2 315.333 1.291 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339774776 410451926 /nfs/dbraw/zinc/45/19/26/410451926.db2.gz YPCPTKYYUHMCFX-CVEARBPZSA-N 1 2 322.361 1.710 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355299635 410426159 /nfs/dbraw/zinc/42/61/59/410426159.db2.gz AANQBKWCZODDET-UHFFFAOYSA-N 1 2 314.305 1.776 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000299068740 410506092 /nfs/dbraw/zinc/50/60/92/410506092.db2.gz NYVSVPIOWLSYOM-JTQLQIEISA-N 1 2 310.335 1.158 20 5 DDBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359438983 410659928 /nfs/dbraw/zinc/65/99/28/410659928.db2.gz MBBONISYDZBYEX-UHFFFAOYSA-N 1 2 312.232 1.849 20 5 DDBDLO O=C(NCc1c[nH]c[nH+]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359438983 410659933 /nfs/dbraw/zinc/65/99/33/410659933.db2.gz MBBONISYDZBYEX-UHFFFAOYSA-N 1 2 312.232 1.849 20 5 DDBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000330931191 410906180 /nfs/dbraw/zinc/90/61/80/410906180.db2.gz SKEOLENZLFFQDE-JTQLQIEISA-N 1 2 316.354 1.652 20 5 DDBDLO COc1cc(C[N@H+]2CCSC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000330931191 410906187 /nfs/dbraw/zinc/90/61/87/410906187.db2.gz SKEOLENZLFFQDE-JTQLQIEISA-N 1 2 316.354 1.652 20 5 DDBDLO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCOC[C@H]1C ZINC000353443294 410988496 /nfs/dbraw/zinc/98/84/96/410988496.db2.gz WOUNCYSENWKXNQ-GFCCVEGCSA-N 1 2 309.366 1.874 20 5 DDBDLO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCOC[C@H]1C ZINC000353443294 410988502 /nfs/dbraw/zinc/98/85/02/410988502.db2.gz WOUNCYSENWKXNQ-GFCCVEGCSA-N 1 2 309.366 1.874 20 5 DDBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000331191235 411007146 /nfs/dbraw/zinc/00/71/46/411007146.db2.gz WAGVNPCXEOBQPX-YPMHNXCESA-N 1 2 310.350 1.575 20 5 DDBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000331191235 411007152 /nfs/dbraw/zinc/00/71/52/411007152.db2.gz WAGVNPCXEOBQPX-YPMHNXCESA-N 1 2 310.350 1.575 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000360156209 411078158 /nfs/dbraw/zinc/07/81/58/411078158.db2.gz CMLBGCGIGBJCBW-HIFRSBDPSA-N 1 2 321.352 1.525 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000360156209 411078162 /nfs/dbraw/zinc/07/81/62/411078162.db2.gz CMLBGCGIGBJCBW-HIFRSBDPSA-N 1 2 321.352 1.525 20 5 DDBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cnccn1 ZINC000344209133 411030521 /nfs/dbraw/zinc/03/05/21/411030521.db2.gz LEGDVMJCIGPKLI-UHFFFAOYSA-N 1 2 324.300 1.847 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132832897 196287584 /nfs/dbraw/zinc/28/75/84/196287584.db2.gz MWTSSGQYFINVFG-JTQLQIEISA-N 1 2 311.313 1.184 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@H](O)C3)co2)cc1 ZINC000295587797 225019767 /nfs/dbraw/zinc/01/97/67/225019767.db2.gz MHNIUIYVARAJIG-CQSZACIVSA-N 1 2 319.317 1.443 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@H](O)C3)co2)cc1 ZINC000295587797 225019771 /nfs/dbraw/zinc/01/97/71/225019771.db2.gz MHNIUIYVARAJIG-CQSZACIVSA-N 1 2 319.317 1.443 20 5 DDBDLO Cc1c(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000360541973 418459821 /nfs/dbraw/zinc/45/98/21/418459821.db2.gz XLQDWCKOOZMMCV-LBPRGKRZSA-N 1 2 314.345 1.979 20 5 DDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374387490 418525804 /nfs/dbraw/zinc/52/58/04/418525804.db2.gz PEPOSDCRTJDLSK-GFCCVEGCSA-N 1 2 318.358 1.838 20 5 DDBDLO C[N@@H+]1CCN(C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374798187 418564274 /nfs/dbraw/zinc/56/42/74/418564274.db2.gz JGWAMLCPTGFBFQ-UHFFFAOYSA-N 1 2 318.377 1.338 20 5 DDBDLO C[N@H+]1CCN(C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374798187 418564277 /nfs/dbraw/zinc/56/42/77/418564277.db2.gz JGWAMLCPTGFBFQ-UHFFFAOYSA-N 1 2 318.377 1.338 20 5 DDBDLO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273554 418849975 /nfs/dbraw/zinc/84/99/75/418849975.db2.gz MZFNSGIPQPIIDN-LBPRGKRZSA-N 1 2 317.349 1.650 20 5 DDBDLO Cn1cccc1C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372273554 418849977 /nfs/dbraw/zinc/84/99/77/418849977.db2.gz MZFNSGIPQPIIDN-LBPRGKRZSA-N 1 2 317.349 1.650 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000420979474 419400222 /nfs/dbraw/zinc/40/02/22/419400222.db2.gz DFKJWKWRCHGEAA-GWCFXTLKSA-N 1 2 320.349 1.132 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000420979474 419400226 /nfs/dbraw/zinc/40/02/26/419400226.db2.gz DFKJWKWRCHGEAA-GWCFXTLKSA-N 1 2 320.349 1.132 20 5 DDBDLO CCN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000425911977 419366143 /nfs/dbraw/zinc/36/61/43/419366143.db2.gz CRVRNDZUPQSOFK-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CCN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000425911977 419366148 /nfs/dbraw/zinc/36/61/48/419366148.db2.gz CRVRNDZUPQSOFK-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420988820 419421890 /nfs/dbraw/zinc/42/18/90/419421890.db2.gz QWKAQKVDGZLIOV-LBPRGKRZSA-N 1 2 320.349 1.052 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420988820 419421895 /nfs/dbraw/zinc/42/18/95/419421895.db2.gz QWKAQKVDGZLIOV-LBPRGKRZSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428000743 419786474 /nfs/dbraw/zinc/78/64/74/419786474.db2.gz LYGDMPHIFDIJDS-GFCCVEGCSA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1nc(N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000413225549 419774862 /nfs/dbraw/zinc/77/48/62/419774862.db2.gz GLVDYOXGRRJTJZ-UHFFFAOYSA-N 1 2 318.312 1.554 20 5 DDBDLO C[NH+](C)C1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000422013195 419807114 /nfs/dbraw/zinc/80/71/14/419807114.db2.gz WYJVOJXJNJSGSK-UHFFFAOYSA-N 1 2 307.350 1.903 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000299462467 229132634 /nfs/dbraw/zinc/13/26/34/229132634.db2.gz XYKQVHJXGHIUPA-SNVBAGLBSA-N 1 2 322.296 1.514 20 5 DDBDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000416297101 420312698 /nfs/dbraw/zinc/31/26/98/420312698.db2.gz PCCRZMFDSVUSJP-UWVGGRQHSA-N 1 2 313.379 1.183 20 5 DDBDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000416297101 420312701 /nfs/dbraw/zinc/31/27/01/420312701.db2.gz PCCRZMFDSVUSJP-UWVGGRQHSA-N 1 2 313.379 1.183 20 5 DDBDLO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440955760 420621925 /nfs/dbraw/zinc/62/19/25/420621925.db2.gz HBYATHYLUVLKRT-GFCCVEGCSA-N 1 2 320.349 1.052 20 5 DDBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440955760 420621930 /nfs/dbraw/zinc/62/19/30/420621930.db2.gz HBYATHYLUVLKRT-GFCCVEGCSA-N 1 2 320.349 1.052 20 5 DDBDLO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440961071 420622871 /nfs/dbraw/zinc/62/28/71/420622871.db2.gz QSGXPKRXVZLBEH-LLVKDONJSA-N 1 2 311.313 1.453 20 5 DDBDLO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000440961071 420622874 /nfs/dbraw/zinc/62/28/74/420622874.db2.gz QSGXPKRXVZLBEH-LLVKDONJSA-N 1 2 311.313 1.453 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)CCOCCO ZINC000459792626 420874725 /nfs/dbraw/zinc/87/47/25/420874725.db2.gz OCQUKVAKHGUJTL-UHFFFAOYSA-N 1 2 318.757 1.051 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)CCOCCO ZINC000459792626 420874732 /nfs/dbraw/zinc/87/47/32/420874732.db2.gz OCQUKVAKHGUJTL-UHFFFAOYSA-N 1 2 318.757 1.051 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449204129 420968734 /nfs/dbraw/zinc/96/87/34/420968734.db2.gz MDTKXLJXUZXQAH-STQMWFEESA-N 1 2 319.361 1.762 20 5 DDBDLO NC(=O)C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449777771 421081052 /nfs/dbraw/zinc/08/10/52/421081052.db2.gz VKYSPESUHKYFOF-LQPUYASZSA-N 1 2 305.334 1.184 20 5 DDBDLO NC(=O)C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449777771 421081056 /nfs/dbraw/zinc/08/10/56/421081056.db2.gz VKYSPESUHKYFOF-LQPUYASZSA-N 1 2 305.334 1.184 20 5 DDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000456366890 421151512 /nfs/dbraw/zinc/15/15/12/421151512.db2.gz WPNYRAZNVUGHSB-SECBINFHSA-N 1 2 303.322 1.884 20 5 DDBDLO O=C(NC[C@H](O)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450156834 421154329 /nfs/dbraw/zinc/15/43/29/421154329.db2.gz DQLUFSAMDIJQFH-AWEZNQCLSA-N 1 2 316.317 1.281 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](F)C1 ZINC000450606177 421215835 /nfs/dbraw/zinc/21/58/35/421215835.db2.gz SSHIXRVHGKGRQM-CYBMUJFWSA-N 1 2 309.341 1.975 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000523731711 421249872 /nfs/dbraw/zinc/24/98/72/421249872.db2.gz GGRKKRJLEXEFIY-SECBINFHSA-N 1 2 311.367 1.437 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000523731711 421249873 /nfs/dbraw/zinc/24/98/73/421249873.db2.gz GGRKKRJLEXEFIY-SECBINFHSA-N 1 2 311.367 1.437 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527001991 421346773 /nfs/dbraw/zinc/34/67/73/421346773.db2.gz AHUOZKNJNWHJIZ-UHFFFAOYSA-N 1 2 300.318 1.835 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527001991 421346775 /nfs/dbraw/zinc/34/67/75/421346775.db2.gz AHUOZKNJNWHJIZ-UHFFFAOYSA-N 1 2 300.318 1.835 20 5 DDBDLO C[C@H]1C[N@H+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058985 421566040 /nfs/dbraw/zinc/56/60/40/421566040.db2.gz VPGLWPNXDQXJBS-ZDUSSCGKSA-N 1 2 305.378 1.674 20 5 DDBDLO C[C@H]1C[N@@H+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058985 421566044 /nfs/dbraw/zinc/56/60/44/421566044.db2.gz VPGLWPNXDQXJBS-ZDUSSCGKSA-N 1 2 305.378 1.674 20 5 DDBDLO C[NH+](C)Cc1csc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])n1 ZINC000570225801 421633208 /nfs/dbraw/zinc/63/32/08/421633208.db2.gz RLATTYCCIJPXNU-UHFFFAOYSA-N 1 2 322.350 1.342 20 5 DDBDLO CCc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000542480729 421823701 /nfs/dbraw/zinc/82/37/01/421823701.db2.gz PFHYMNMFSGDJQA-UHFFFAOYSA-N 1 2 302.334 1.863 20 5 DDBDLO CCC1(CC)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@]1=O ZINC000185293118 263392337 /nfs/dbraw/zinc/39/23/37/263392337.db2.gz UYJBGXLESRWURW-OAQYLSRUSA-N 1 2 314.411 1.414 20 5 DDBDLO CCC1(CC)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@]1=O ZINC000185293118 263392341 /nfs/dbraw/zinc/39/23/41/263392341.db2.gz UYJBGXLESRWURW-OAQYLSRUSA-N 1 2 314.411 1.414 20 5 DDBDLO C[C@H]([C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000183553487 278303925 /nfs/dbraw/zinc/30/39/25/278303925.db2.gz HZZHFXRKLDHHBF-WDEREUQCSA-N 1 2 323.353 1.221 20 5 DDBDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126796611 281252708 /nfs/dbraw/zinc/25/27/08/281252708.db2.gz FSWFOEJXBZFFIR-NSHDSACASA-N 1 2 322.365 1.380 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126796611 281252712 /nfs/dbraw/zinc/25/27/12/281252712.db2.gz FSWFOEJXBZFFIR-NSHDSACASA-N 1 2 322.365 1.380 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CC(F)(F)F)nc1 ZINC000354579418 298470765 /nfs/dbraw/zinc/47/07/65/298470765.db2.gz OVRAKZUVEPOIMB-UHFFFAOYSA-N 1 2 302.216 1.756 20 5 DDBDLO COc1c(C(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000354579697 298470970 /nfs/dbraw/zinc/47/09/70/298470970.db2.gz BJMODBUWVLBCIF-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000357966690 299035194 /nfs/dbraw/zinc/03/51/94/299035194.db2.gz WNWIIJWFOMOADT-UHFFFAOYSA-N 1 2 312.289 1.766 20 5 DDBDLO CNc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000401710898 302373345 /nfs/dbraw/zinc/37/33/45/302373345.db2.gz DPQJNQHUNBSQLY-UHFFFAOYSA-N 1 2 303.322 1.343 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000543545341 307707282 /nfs/dbraw/zinc/70/72/82/307707282.db2.gz KEPFKHDFOSDWED-DTWKUNHWSA-N 1 2 319.321 1.964 20 5 DDBDLO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000557190725 307866756 /nfs/dbraw/zinc/86/67/56/307866756.db2.gz ZVJXIAALAFWBLY-UHFFFAOYSA-N 1 2 316.317 1.763 20 5 DDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000566948822 308066832 /nfs/dbraw/zinc/06/68/32/308066832.db2.gz QLXYPTBCJVMMLV-UHFFFAOYSA-N 1 2 315.333 1.276 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000570646686 308175444 /nfs/dbraw/zinc/17/54/44/308175444.db2.gz IZBBFJGGKIFGCG-UHFFFAOYSA-N 1 2 304.306 1.750 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000571766875 308201454 /nfs/dbraw/zinc/20/14/54/308201454.db2.gz SWDPODZUGUELAN-GFCCVEGCSA-N 1 2 324.356 1.820 20 5 DDBDLO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1C[NH+]3CCN1CC3)CCCC2 ZINC000580557416 308613948 /nfs/dbraw/zinc/61/39/48/308613948.db2.gz DYSMUNYVCVYKFN-CYBMUJFWSA-N 1 2 317.393 1.280 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305759682 534298616 /nfs/dbraw/zinc/29/86/16/534298616.db2.gz INIORGALBPMGJG-GYSYKLTISA-N 1 2 307.350 1.625 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305759682 534298617 /nfs/dbraw/zinc/29/86/17/534298617.db2.gz INIORGALBPMGJG-GYSYKLTISA-N 1 2 307.350 1.625 20 5 DDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160391854 526551106 /nfs/dbraw/zinc/55/11/06/526551106.db2.gz LBYNIHWATUISLR-GFCCVEGCSA-N 1 2 323.324 1.327 20 5 DDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160391854 526551110 /nfs/dbraw/zinc/55/11/10/526551110.db2.gz LBYNIHWATUISLR-GFCCVEGCSA-N 1 2 323.324 1.327 20 5 DDBDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050901008 696235086 /nfs/dbraw/zinc/23/50/86/696235086.db2.gz DAFUZFZZHABRAH-CHWSQXEVSA-N 1 2 323.397 1.766 20 5 DDBDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050901008 696235089 /nfs/dbraw/zinc/23/50/89/696235089.db2.gz DAFUZFZZHABRAH-CHWSQXEVSA-N 1 2 323.397 1.766 20 5 DDBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000076303079 696428476 /nfs/dbraw/zinc/42/84/76/696428476.db2.gz QIZKJMAAHQWNJG-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000076303079 696428477 /nfs/dbraw/zinc/42/84/77/696428477.db2.gz QIZKJMAAHQWNJG-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000154614102 696935175 /nfs/dbraw/zinc/93/51/75/696935175.db2.gz KORKDAIIVNOJLZ-LLVKDONJSA-N 1 2 316.741 1.320 20 5 DDBDLO Cc1nn(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000788379171 699308732 /nfs/dbraw/zinc/30/87/32/699308732.db2.gz FJRAAKKFEBXUDA-CYBMUJFWSA-N 1 2 303.322 1.606 20 5 DDBDLO Cc1nn(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000840107334 701972453 /nfs/dbraw/zinc/97/24/53/701972453.db2.gz FZGIRQIGANGTTP-GFCCVEGCSA-N 1 2 323.397 1.671 20 5 DDBDLO Cc1nn(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000840107334 701972457 /nfs/dbraw/zinc/97/24/57/701972457.db2.gz FZGIRQIGANGTTP-GFCCVEGCSA-N 1 2 323.397 1.671 20 5 DDBDLO CC(C)[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000812291970 702137913 /nfs/dbraw/zinc/13/79/13/702137913.db2.gz PVJMMWDMNJBWPI-GFCCVEGCSA-N 1 2 321.333 1.960 20 5 DDBDLO CC(C)[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000812291970 702137917 /nfs/dbraw/zinc/13/79/17/702137917.db2.gz PVJMMWDMNJBWPI-GFCCVEGCSA-N 1 2 321.333 1.960 20 5 DDBDLO C[NH+](C)CCONC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000868628241 702232253 /nfs/dbraw/zinc/23/22/53/702232253.db2.gz OKMHNBUFSVIARP-UHFFFAOYSA-N 1 2 307.350 1.626 20 5 DDBDLO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000817279095 702324647 /nfs/dbraw/zinc/32/46/47/702324647.db2.gz HXNUQWOMTNCBAD-KGLIPLIRSA-N 1 2 310.350 1.100 20 5 DDBDLO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000817279095 702324655 /nfs/dbraw/zinc/32/46/55/702324655.db2.gz HXNUQWOMTNCBAD-KGLIPLIRSA-N 1 2 310.350 1.100 20 5 DDBDLO COCC[NH2+]Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184724 702835734 /nfs/dbraw/zinc/83/57/34/702835734.db2.gz IRUDEFGAHARPGQ-UHFFFAOYSA-N 1 2 321.337 1.368 20 5 DDBDLO CCN(CC(C)=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000820443006 704280410 /nfs/dbraw/zinc/28/04/10/704280410.db2.gz HELWBLNKIRISRR-UHFFFAOYSA-N 1 2 316.317 1.832 20 5 DDBDLO Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000825640856 705707064 /nfs/dbraw/zinc/70/70/64/705707064.db2.gz MDGFPPLANBUMDY-CYBMUJFWSA-N 1 2 314.345 1.979 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871760709 707190705 /nfs/dbraw/zinc/19/07/05/707190705.db2.gz PTIWYMYWDJFRMR-CYBMUJFWSA-N 1 2 322.365 1.827 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871760709 707190707 /nfs/dbraw/zinc/19/07/07/707190707.db2.gz PTIWYMYWDJFRMR-CYBMUJFWSA-N 1 2 322.365 1.827 20 5 DDBDLO O=C(COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000835217478 707197451 /nfs/dbraw/zinc/19/74/51/707197451.db2.gz QZNWBDKGBSECAF-UHFFFAOYSA-N 1 2 315.285 1.916 20 5 DDBDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000896586216 708089829 /nfs/dbraw/zinc/08/98/29/708089829.db2.gz XUJGMIAMPBDBEA-LLVKDONJSA-N 1 2 308.334 1.977 20 5 DDBDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000896586216 708089831 /nfs/dbraw/zinc/08/98/31/708089831.db2.gz XUJGMIAMPBDBEA-LLVKDONJSA-N 1 2 308.334 1.977 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886202724 708714092 /nfs/dbraw/zinc/71/40/92/708714092.db2.gz CKGMAGXJXYAMCP-OCCSQVGLSA-N 1 2 306.366 1.285 20 5 DDBDLO C[C@@](O)(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C(F)F ZINC000886239247 708722095 /nfs/dbraw/zinc/72/20/95/708722095.db2.gz SGOKXEMJVBELFP-CYBMUJFWSA-N 1 2 316.308 1.128 20 5 DDBDLO CCn1c[nH+]c2c1CCN(Cn1nc(C)c([N+](=O)[O-])c1C)C2 ZINC000902543047 710788972 /nfs/dbraw/zinc/78/89/72/710788972.db2.gz OXHMPJIKNOITGX-UHFFFAOYSA-N 1 2 304.354 1.640 20 5 DDBDLO CN1CCO[C@@H]([C@H]([NH2+]CC[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000905188799 711963518 /nfs/dbraw/zinc/96/35/18/711963518.db2.gz GKOSDPHIOXSJIJ-ZIAGYGMSSA-N 1 2 313.785 1.578 20 5 DDBDLO C[N@@H+]1CCO[C@@H]([C@H](NCC[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000905188799 711963520 /nfs/dbraw/zinc/96/35/20/711963520.db2.gz GKOSDPHIOXSJIJ-ZIAGYGMSSA-N 1 2 313.785 1.578 20 5 DDBDLO C[N@H+]1CCO[C@@H]([C@H](NCC[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000905188799 711963522 /nfs/dbraw/zinc/96/35/22/711963522.db2.gz GKOSDPHIOXSJIJ-ZIAGYGMSSA-N 1 2 313.785 1.578 20 5 DDBDLO O=[N+]([O-])CC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000930376156 713818269 /nfs/dbraw/zinc/81/82/69/713818269.db2.gz LWMMXXIGYQQNPV-UHFFFAOYSA-N 1 2 314.183 1.848 20 5 DDBDLO CCOCCOCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000930680717 713894354 /nfs/dbraw/zinc/89/43/54/713894354.db2.gz MJGBVTDYBOETIM-UHFFFAOYSA-N 1 2 324.381 1.165 20 5 DDBDLO Cn1cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000932831348 714421981 /nfs/dbraw/zinc/42/19/81/714421981.db2.gz PCUCAOYSFNKDAK-UHFFFAOYSA-N 1 2 322.287 1.465 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C[NH2+]1 ZINC001169130075 762246860 /nfs/dbraw/zinc/24/68/60/762246860.db2.gz IZFPIZOWARQOAC-SKDRFNHKSA-N 1 2 304.306 1.392 20 5 DDBDLO CCC(=O)NCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001096259837 768800193 /nfs/dbraw/zinc/80/01/93/768800193.db2.gz MLDNZFHYXGGGBP-UHFFFAOYSA-N 1 2 320.393 1.551 20 5 DDBDLO CC(=O)NCC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001096259906 768800371 /nfs/dbraw/zinc/80/03/71/768800371.db2.gz POWRNHQJMFZDGZ-UHFFFAOYSA-N 1 2 306.366 1.161 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001094024813 775349863 /nfs/dbraw/zinc/34/98/63/775349863.db2.gz ZPRAIHNCSJZJSQ-UHFFFAOYSA-N 1 2 318.337 1.113 20 5 DDBDLO Cc1cc(F)cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC001174949820 777645618 /nfs/dbraw/zinc/64/56/18/777645618.db2.gz KURKVQBHIBLUCG-NSHDSACASA-N 1 2 322.296 1.099 20 5 DDBDLO Cc1cc(F)cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC001174949820 777645622 /nfs/dbraw/zinc/64/56/22/777645622.db2.gz KURKVQBHIBLUCG-NSHDSACASA-N 1 2 322.296 1.099 20 5 DDBDLO O=[N+]([O-])c1c(Cl)ccnc1NCC1([NH+]2CCCC2)COC1 ZINC001157649776 864011861 /nfs/dbraw/zinc/01/18/61/864011861.db2.gz BJMOKQQJOBBJOQ-UHFFFAOYSA-N 1 2 312.757 1.920 20 5 DDBDLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320877130 867096003 /nfs/dbraw/zinc/09/60/03/867096003.db2.gz WYYBAVVPZVCUQH-NHYWBVRUSA-N 1 2 310.350 1.323 20 5 DDBDLO COC[C@H](C)OC[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320877130 867096012 /nfs/dbraw/zinc/09/60/12/867096012.db2.gz WYYBAVVPZVCUQH-NHYWBVRUSA-N 1 2 310.350 1.323 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNc2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001162688719 867735712 /nfs/dbraw/zinc/73/57/12/867735712.db2.gz TUOPPPAZHCNTBM-MRVPVSSYSA-N 1 2 309.351 1.342 20 5 DDBDLO C[N@H+]1CCO[C@H](CNc2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001162688719 867735719 /nfs/dbraw/zinc/73/57/19/867735719.db2.gz TUOPPPAZHCNTBM-MRVPVSSYSA-N 1 2 309.351 1.342 20 5 DDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001339856478 870738618 /nfs/dbraw/zinc/73/86/18/870738618.db2.gz WPXPPRAQZQIKKK-NSHDSACASA-N 1 2 317.349 1.899 20 5 DDBDLO CCNc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])c[nH+]1 ZINC001307234102 871415191 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304.297 1.536 20 5 DDBDLO Cc1cnc(N(CC[NH+]2CCOCC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000596517601 356904420 /nfs/dbraw/zinc/90/44/20/356904420.db2.gz PKYNPXATJGQNEC-UHFFFAOYSA-N 1 2 320.393 1.847 20 5 DDBDLO Cc1nn(C)c(-c2nc(Cc3c[nH+]ccc3C)no2)c1[N+](=O)[O-] ZINC000596617543 356933108 /nfs/dbraw/zinc/93/31/08/356933108.db2.gz UCTCGQIZISHPQQ-UHFFFAOYSA-N 1 2 314.305 1.981 20 5 DDBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597858163 357361080 /nfs/dbraw/zinc/36/10/80/357361080.db2.gz KZZCFBBTMSWKDR-NSHDSACASA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597858163 357361086 /nfs/dbraw/zinc/36/10/86/357361086.db2.gz KZZCFBBTMSWKDR-NSHDSACASA-N 1 2 307.350 1.903 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947240 357771218 /nfs/dbraw/zinc/77/12/18/357771218.db2.gz KJQXTEYMPKOALK-NSHDSACASA-N 1 2 316.317 1.301 20 5 DDBDLO CC[C@@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1[nH]cc[nH+]1 ZINC000347980149 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313.379 1.310 20 5 DDBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000603373183 359599597 /nfs/dbraw/zinc/59/95/97/359599597.db2.gz BKNNAUPMDQPVBJ-UHFFFAOYSA-N 1 2 313.379 1.310 20 5 DDBDLO CC1(C)[C@@H](Nc2ncc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCOCC1 ZINC000603407717 359621253 /nfs/dbraw/zinc/62/12/53/359621253.db2.gz SZKYXYBLQUAWCG-UWVGGRQHSA-N 1 2 312.395 1.963 20 5 DDBDLO O=[N+]([O-])c1cccc(Cn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603421351 359630192 /nfs/dbraw/zinc/63/01/92/359630192.db2.gz BZXOBRIDZNTDGK-UHFFFAOYSA-N 1 2 302.334 1.672 20 5 DDBDLO CCN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283848 360286550 /nfs/dbraw/zinc/28/65/50/360286550.db2.gz FREMKTLZMUTXFV-DZGCQCFKSA-N 1 2 323.393 1.361 20 5 DDBDLO CCN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283848 360286553 /nfs/dbraw/zinc/28/65/53/360286553.db2.gz FREMKTLZMUTXFV-DZGCQCFKSA-N 1 2 323.393 1.361 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609521839 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1.716 20 5 DDBDLO Cn1cnnc1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413303672 419776944 /nfs/dbraw/zinc/77/69/44/419776944.db2.gz OKWWFSBMKSPZFG-UHFFFAOYSA-N 1 2 312.333 2.316 20 5 DDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428352242 419851396 /nfs/dbraw/zinc/85/13/96/419851396.db2.gz PXGOSIAXVRVGKA-GFCCVEGCSA-N 1 2 300.318 1.465 20 5 DDBDLO CC(C)(CNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000420593190 420325081 /nfs/dbraw/zinc/32/50/81/420325081.db2.gz XCFHYXSNUAQBCL-UHFFFAOYSA-N 1 2 322.365 1.216 20 5 DDBDLO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436672975 420352564 /nfs/dbraw/zinc/35/25/64/420352564.db2.gz HNYSIBYFLMHIFH-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444720825 230125124 /nfs/dbraw/zinc/12/51/24/230125124.db2.gz PXPDMPAVXLZHND-WPRPVWTQSA-N 1 2 322.287 1.464 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444720825 230125127 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311.386 1.413 20 5 DDBDLO CCc1nn(C)c(NCC[N@H+]2CCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000362682829 300115020 /nfs/dbraw/zinc/11/50/20/300115020.db2.gz HAJRJZHBYROHRD-NSHDSACASA-N 1 2 311.386 1.413 20 5 DDBDLO Cc1cnn(C2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000362780767 300139258 /nfs/dbraw/zinc/13/92/58/300139258.db2.gz HYVYOOKTGMLNDD-HNNXBMFYSA-N 1 2 302.334 1.690 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000368294705 300996150 /nfs/dbraw/zinc/99/61/50/300996150.db2.gz UVVTWXCMZPTTQH-JTQLQIEISA-N 1 2 316.321 1.073 20 5 DDBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](n4cncn4)C3)nc2c1 ZINC000368872642 301098471 /nfs/dbraw/zinc/09/84/71/301098471.db2.gz MKVWUIBLKVLEFG-NSHDSACASA-N 1 2 314.305 1.775 20 5 DDBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](n4cncn4)C3)nc2c1 ZINC000368872642 301098472 /nfs/dbraw/zinc/09/84/72/301098472.db2.gz MKVWUIBLKVLEFG-NSHDSACASA-N 1 2 314.305 1.775 20 5 DDBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cn1 ZINC000531878445 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Cc1c[nH]c(C(C)(C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH+]1 ZINC000573452029 308241063 /nfs/dbraw/zinc/24/10/63/308241063.db2.gz BKLGYBBYOWVBFY-UHFFFAOYSA-N 1 2 304.306 1.997 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000302068023 534246219 /nfs/dbraw/zinc/24/62/19/534246219.db2.gz DFJOXDQIKQRWMT-NSHDSACASA-N 1 2 309.322 1.124 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000302068023 534246224 /nfs/dbraw/zinc/24/62/24/534246224.db2.gz DFJOXDQIKQRWMT-NSHDSACASA-N 1 2 309.322 1.124 20 5 DDBDLO NC(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413024408 534426283 /nfs/dbraw/zinc/42/62/83/534426283.db2.gz DLTVFSVWVXYWHT-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO CC(C)(CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[N+](=O)[O-] ZINC000295605691 527004650 /nfs/dbraw/zinc/00/46/50/527004650.db2.gz YKMCVRVROVWISY-GFCCVEGCSA-N 1 2 306.366 1.612 20 5 DDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000413962762 527082059 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ZINC000840075807 701954968 /nfs/dbraw/zinc/95/49/68/701954968.db2.gz MNMSQUBITVVMMO-XHDPSFHLSA-N 1 2 305.334 1.974 20 5 DDBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1Cc2c[nH+]cn2C1 ZINC000868699390 702273789 /nfs/dbraw/zinc/27/37/89/702273789.db2.gz UTQDKPXSIVDFJX-SNVBAGLBSA-N 1 2 304.281 1.214 20 5 DDBDLO C[NH+]1CCC(N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2)CC1 ZINC000841061600 702330585 /nfs/dbraw/zinc/33/05/85/702330585.db2.gz LIHNFCJVASWGMA-HUUCEWRRSA-N 1 2 303.362 1.779 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989371 704657671 /nfs/dbraw/zinc/65/76/71/704657671.db2.gz QIJXMEAQSREKNK-NSHDSACASA-N 1 2 302.290 1.675 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000823346970 705215012 /nfs/dbraw/zinc/21/50/12/705215012.db2.gz KBHYGTMPZHSIPP-LLVKDONJSA-N 1 2 300.318 1.763 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000824725962 705516763 /nfs/dbraw/zinc/51/67/63/705516763.db2.gz 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ZINC001170327825 766253697 /nfs/dbraw/zinc/25/36/97/766253697.db2.gz IFBLCCQLNWMCCV-RISCZKNCSA-N 1 2 310.350 1.228 20 5 DDBDLO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170327825 766253704 /nfs/dbraw/zinc/25/37/04/766253704.db2.gz IFBLCCQLNWMCCV-RISCZKNCSA-N 1 2 310.350 1.228 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001124080483 859566782 /nfs/dbraw/zinc/56/67/82/859566782.db2.gz PAPAAWKHXJAJQJ-UHFFFAOYSA-N 1 2 317.349 1.489 20 5 DDBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nc(Cl)ncc1[N+](=O)[O-] ZINC001162849760 867868878 /nfs/dbraw/zinc/86/88/78/867868878.db2.gz QCHXEXZJTDSGKW-LURJTMIESA-N 1 2 317.733 1.119 20 5 DDBDLO Cc1nc(C)c(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)o1 ZINC001317552586 871054119 /nfs/dbraw/zinc/05/41/19/871054119.db2.gz LFUSZMCIXRDAFL-CHWSQXEVSA-N 1 2 322.365 1.037 20 5 DDBDLO Cc1nc(C)c(C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)o1 ZINC001317552586 871054140 /nfs/dbraw/zinc/05/41/40/871054140.db2.gz LFUSZMCIXRDAFL-CHWSQXEVSA-N 1 2 322.365 1.037 20 5 DDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001254550559 896498056 /nfs/dbraw/zinc/49/80/56/896498056.db2.gz LSQIVHBUAWKOPN-GOEBONIOSA-N 1 2 319.405 1.932 20 5 DDBDLO CCOC(=O)C1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC001262013929 899895190 /nfs/dbraw/zinc/89/51/90/899895190.db2.gz RAORCKNJZIOXJB-UHFFFAOYSA-N 1 2 310.354 1.565 20 5 DDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000278537675 214220285 /nfs/dbraw/zinc/22/02/85/214220285.db2.gz FNBRIOWOEVVXGJ-UHFFFAOYSA-N 1 2 321.377 1.664 20 5 DDBDLO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000249542505 282168541 /nfs/dbraw/zinc/16/85/41/282168541.db2.gz FHUIXFRKYGGYCI-GXFFZTMASA-N 1 2 307.350 1.689 20 5 DDBDLO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000249542505 282168547 /nfs/dbraw/zinc/16/85/47/282168547.db2.gz FHUIXFRKYGGYCI-GXFFZTMASA-N 1 2 307.350 1.689 20 5 DDBDLO 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DDBDLO COc1cc(N2CC[NH+](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596055068 356754795 /nfs/dbraw/zinc/75/47/95/356754795.db2.gz DEKNFZBNZIHOFU-UHFFFAOYSA-N 1 2 315.757 1.371 20 5 DDBDLO CN(C[C@@H]1COCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596456821 356885227 /nfs/dbraw/zinc/88/52/27/356885227.db2.gz HEQSJRGTCAPJBC-CYBMUJFWSA-N 1 2 303.318 1.995 20 5 DDBDLO Cc1cc(N[C@H]2CCNC2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596312059 356854177 /nfs/dbraw/zinc/85/41/77/356854177.db2.gz RMHZMSNXQDAACH-LBPRGKRZSA-N 1 2 313.317 1.083 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597996628 357412138 /nfs/dbraw/zinc/41/21/38/357412138.db2.gz KIZUAMGPEFHXOK-STQMWFEESA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597996628 357412142 /nfs/dbraw/zinc/41/21/42/357412142.db2.gz KIZUAMGPEFHXOK-STQMWFEESA-N 1 2 321.377 1.363 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000598738974 357710700 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Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000602778035 359184934 /nfs/dbraw/zinc/18/49/34/359184934.db2.gz ASRWQNYXWROADJ-UHFFFAOYSA-N 1 2 323.397 1.431 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000602778035 359184935 /nfs/dbraw/zinc/18/49/35/359184935.db2.gz ASRWQNYXWROADJ-UHFFFAOYSA-N 1 2 323.397 1.431 20 5 DDBDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602951930 359317002 /nfs/dbraw/zinc/31/70/02/359317002.db2.gz NQCXNWGRNPCVAL-DZGCQCFKSA-N 1 2 308.334 1.747 20 5 DDBDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602951930 359317006 /nfs/dbraw/zinc/31/70/06/359317006.db2.gz NQCXNWGRNPCVAL-DZGCQCFKSA-N 1 2 308.334 1.747 20 5 DDBDLO O=[N+]([O-])c1ccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)c(Cl)c1 ZINC000603219065 359491051 /nfs/dbraw/zinc/49/10/51/359491051.db2.gz RMMSBSQIXPGTLG-CYBMUJFWSA-N 1 2 323.740 1.549 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186819700 200015975 /nfs/dbraw/zinc/01/59/75/200015975.db2.gz XZHKLUYTOLZPTQ-RISCZKNCSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186819700 200015977 /nfs/dbraw/zinc/01/59/77/200015977.db2.gz XZHKLUYTOLZPTQ-RISCZKNCSA-N 1 2 307.350 1.544 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC(=O)N(C)C ZINC000610476221 360445043 /nfs/dbraw/zinc/44/50/43/360445043.db2.gz GUKZJIWFHKIVRK-UHFFFAOYSA-N 1 2 309.366 1.904 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC(=O)N(C)C ZINC000610476221 360445046 /nfs/dbraw/zinc/44/50/46/360445046.db2.gz GUKZJIWFHKIVRK-UHFFFAOYSA-N 1 2 309.366 1.904 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000611106946 360624122 /nfs/dbraw/zinc/62/41/22/360624122.db2.gz FLBZQGHTGJZJIS-QMMMGPOBSA-N 1 2 317.392 1.171 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000611106946 360624123 /nfs/dbraw/zinc/62/41/23/360624123.db2.gz FLBZQGHTGJZJIS-QMMMGPOBSA-N 1 2 317.392 1.171 20 5 DDBDLO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000611727822 360806054 /nfs/dbraw/zinc/80/60/54/360806054.db2.gz LUQSVOOOGUXOPL-PHIMTYICSA-N 1 2 313.741 1.273 20 5 DDBDLO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000611727822 360806059 /nfs/dbraw/zinc/80/60/59/360806059.db2.gz LUQSVOOOGUXOPL-PHIMTYICSA-N 1 2 313.741 1.273 20 5 DDBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281386351 216265363 /nfs/dbraw/zinc/26/53/63/216265363.db2.gz PNUAXKKDFWAXIE-RISCZKNCSA-N 1 2 310.350 1.902 20 5 DDBDLO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281386351 216265366 /nfs/dbraw/zinc/26/53/66/216265366.db2.gz PNUAXKKDFWAXIE-RISCZKNCSA-N 1 2 310.350 1.902 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619574352 364067775 /nfs/dbraw/zinc/06/77/75/364067775.db2.gz SALQHCRKJIBZMA-STQMWFEESA-N 1 2 323.324 1.559 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275394014 212306427 /nfs/dbraw/zinc/30/64/27/212306427.db2.gz CUDKICGHHSMXQM-AWEZNQCLSA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275394014 212306428 /nfs/dbraw/zinc/30/64/28/212306428.db2.gz CUDKICGHHSMXQM-AWEZNQCLSA-N 1 2 321.377 1.935 20 5 DDBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 ZINC000092005926 193140129 /nfs/dbraw/zinc/14/01/29/193140129.db2.gz HCSNZJAPZQGYLR-OZAOCKQISA-N 1 2 305.334 1.183 20 5 DDBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 ZINC000092005926 193140131 /nfs/dbraw/zinc/14/01/31/193140131.db2.gz HCSNZJAPZQGYLR-OZAOCKQISA-N 1 2 305.334 1.183 20 5 DDBDLO CCCc1n[nH]c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000264624615 204036714 /nfs/dbraw/zinc/03/67/14/204036714.db2.gz WBUGEOQNEUUJJQ-VIFPVBQESA-N 1 2 306.326 1.285 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066143413 296225912 /nfs/dbraw/zinc/22/59/12/296225912.db2.gz LKUZRVJVGMMUOJ-LBPRGKRZSA-N 1 2 305.334 1.611 20 5 DDBDLO CCC(CC)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC ZINC000338380495 249935997 /nfs/dbraw/zinc/93/59/97/249935997.db2.gz KGGLFTKFVMBJLC-UHFFFAOYSA-N 1 2 311.338 1.078 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284689364 218134423 /nfs/dbraw/zinc/13/44/23/218134423.db2.gz PVBNCXQONWDCSK-OAGGEKHMSA-N 1 2 306.362 1.957 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000284689364 218134426 /nfs/dbraw/zinc/13/44/26/218134426.db2.gz PVBNCXQONWDCSK-OAGGEKHMSA-N 1 2 306.362 1.957 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340922085 251278366 /nfs/dbraw/zinc/27/83/66/251278366.db2.gz XUTPDKGCJMXYFM-GHMZBOCLSA-N 1 2 323.349 1.387 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340922085 251278369 /nfs/dbraw/zinc/27/83/69/251278369.db2.gz XUTPDKGCJMXYFM-GHMZBOCLSA-N 1 2 323.349 1.387 20 5 DDBDLO O=CN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000298019221 285029590 /nfs/dbraw/zinc/02/95/90/285029590.db2.gz DNFHEFVYDZNCOV-UHFFFAOYSA-N 1 2 308.294 1.167 20 5 DDBDLO O=CN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000298019221 285029593 /nfs/dbraw/zinc/02/95/93/285029593.db2.gz DNFHEFVYDZNCOV-UHFFFAOYSA-N 1 2 308.294 1.167 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000352648909 285197415 /nfs/dbraw/zinc/19/74/15/285197415.db2.gz YABKIWOUSAASEH-NSHDSACASA-N 1 2 322.365 1.087 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCOC[C@@H]1C ZINC000352648909 285197416 /nfs/dbraw/zinc/19/74/16/285197416.db2.gz YABKIWOUSAASEH-NSHDSACASA-N 1 2 322.365 1.087 20 5 DDBDLO COC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452142612 533151904 /nfs/dbraw/zinc/15/19/04/533151904.db2.gz XKRKFSCSGRDUIK-GFCCVEGCSA-N 1 2 316.317 1.641 20 5 DDBDLO COC(=O)C(C)(C)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000494382740 533156024 /nfs/dbraw/zinc/15/60/24/533156024.db2.gz DCWBYRIHLXMSKP-UHFFFAOYSA-N 1 2 321.377 1.664 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352686930 285226794 /nfs/dbraw/zinc/22/67/94/285226794.db2.gz RUUWXLPSODTJMY-IUCAKERBSA-N 1 2 322.287 1.321 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352686930 285226799 /nfs/dbraw/zinc/22/67/99/285226799.db2.gz RUUWXLPSODTJMY-IUCAKERBSA-N 1 2 322.287 1.321 20 5 DDBDLO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000568990361 304327912 /nfs/dbraw/zinc/32/79/12/304327912.db2.gz BLFPOJMAFNZJKR-UWVGGRQHSA-N 1 2 324.362 1.537 20 5 DDBDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000068510344 406646058 /nfs/dbraw/zinc/64/60/58/406646058.db2.gz DAIVBIACBWMTGM-UHFFFAOYSA-N 1 2 303.322 1.502 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnn(C)c1 ZINC000032539981 406948690 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MEQTUODGAKFRAQ-NSHDSACASA-N 1 2 323.349 1.510 20 5 DDBDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])s1 ZINC000192506537 222127791 /nfs/dbraw/zinc/12/77/91/222127791.db2.gz HJZFJLVFAGSVDH-UHFFFAOYSA-N 1 2 314.411 1.846 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361419258 418648162 /nfs/dbraw/zinc/64/81/62/418648162.db2.gz AJUURXQDRUYIRZ-GFCCVEGCSA-N 1 2 307.350 1.687 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000361419258 418648164 /nfs/dbraw/zinc/64/81/64/418648164.db2.gz AJUURXQDRUYIRZ-GFCCVEGCSA-N 1 2 307.350 1.687 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OC)C1 ZINC000361372154 418638655 /nfs/dbraw/zinc/63/86/55/418638655.db2.gz LGWIOZQPKFHKDJ-LLVKDONJSA-N 1 2 309.322 1.263 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000361372154 418638659 /nfs/dbraw/zinc/63/86/59/418638659.db2.gz LGWIOZQPKFHKDJ-LLVKDONJSA-N 1 2 309.322 1.263 20 5 DDBDLO O=C1OC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000361938508 418728259 /nfs/dbraw/zinc/72/82/59/418728259.db2.gz KJOCMPWZSHGGKE-LBPRGKRZSA-N 1 2 307.306 1.110 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000364948574 418827301 /nfs/dbraw/zinc/82/73/01/418827301.db2.gz YSZHTBIVAGDOMN-CQSZACIVSA-N 1 2 302.334 1.768 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000364948574 418827303 /nfs/dbraw/zinc/82/73/03/418827303.db2.gz YSZHTBIVAGDOMN-CQSZACIVSA-N 1 2 302.334 1.768 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000418122954 419553563 /nfs/dbraw/zinc/55/35/63/419553563.db2.gz YGKIXUWHGVKXNG-ZIAGYGMSSA-N 1 2 307.394 1.790 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000418122954 419553569 /nfs/dbraw/zinc/55/35/69/419553569.db2.gz YGKIXUWHGVKXNG-ZIAGYGMSSA-N 1 2 307.394 1.790 20 5 DDBDLO CC(C)(C(=O)N1CC[NH+](CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000429753437 420043818 /nfs/dbraw/zinc/04/38/18/420043818.db2.gz XNPPPTXUPLMXAK-UHFFFAOYSA-N 1 2 321.377 1.009 20 5 DDBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1C[NH+]2CCC1CC2 ZINC000436971246 420389384 /nfs/dbraw/zinc/38/93/84/420389384.db2.gz HXLHFGYBBUHMKA-CYBMUJFWSA-N 1 2 305.334 1.467 20 5 DDBDLO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000457082166 420604592 /nfs/dbraw/zinc/60/45/92/420604592.db2.gz DROINNBQYIKSSK-NSHDSACASA-N 1 2 307.350 1.855 20 5 DDBDLO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000457082166 420604593 /nfs/dbraw/zinc/60/45/93/420604593.db2.gz DROINNBQYIKSSK-NSHDSACASA-N 1 2 307.350 1.855 20 5 DDBDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000451948517 420616608 /nfs/dbraw/zinc/61/66/08/420616608.db2.gz UYQQEDIDRXUSPM-CABZTGNLSA-N 1 2 322.346 1.776 20 5 DDBDLO O=C(NC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448796291 420898695 /nfs/dbraw/zinc/89/86/95/420898695.db2.gz ODBGRBAXLRLSFK-NSHDSACASA-N 1 2 316.317 1.547 20 5 DDBDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000459819849 420882396 /nfs/dbraw/zinc/88/23/96/420882396.db2.gz CUPDWAHUGJEVHL-NWDGAFQWSA-N 1 2 320.305 1.148 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)c2[nH+]ccn21 ZINC000456436126 421167440 /nfs/dbraw/zinc/16/74/40/421167440.db2.gz VWBREFUSUKVCTM-SCZZXKLOSA-N 1 2 301.306 1.809 20 5 DDBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000450250696 421170178 /nfs/dbraw/zinc/17/01/78/421170178.db2.gz MTMYKJTWWMHVEU-OAHLLOKOSA-N 1 2 316.317 1.689 20 5 DDBDLO Cc1nc(N)c(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000560499568 421273937 /nfs/dbraw/zinc/27/39/37/421273937.db2.gz JYEFSICYXMNSGK-UHFFFAOYSA-N 1 2 315.333 1.443 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000563362715 421493941 /nfs/dbraw/zinc/49/39/41/421493941.db2.gz DKFKVSFCYXAYNS-CQSZACIVSA-N 1 2 321.377 1.597 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000563362715 421493943 /nfs/dbraw/zinc/49/39/43/421493943.db2.gz DKFKVSFCYXAYNS-CQSZACIVSA-N 1 2 321.377 1.597 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000563362715 421493944 /nfs/dbraw/zinc/49/39/44/421493944.db2.gz DKFKVSFCYXAYNS-CQSZACIVSA-N 1 2 321.377 1.597 20 5 DDBDLO C[C@H](O)CNc1cc(NCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000556842261 421746691 /nfs/dbraw/zinc/74/66/91/421746691.db2.gz FROCWUDULLABES-JTQLQIEISA-N 1 2 303.322 1.790 20 5 DDBDLO C[C@H](O)CNc1cc(NCc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000556842261 421746694 /nfs/dbraw/zinc/74/66/94/421746694.db2.gz FROCWUDULLABES-JTQLQIEISA-N 1 2 303.322 1.790 20 5 DDBDLO CC(=O)NCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582001231 422086948 /nfs/dbraw/zinc/08/69/48/422086948.db2.gz FGVDGMXNTLAAIM-UHFFFAOYSA-N 1 2 318.333 1.818 20 5 DDBDLO CC(=O)NCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582001231 422086952 /nfs/dbraw/zinc/08/69/52/422086952.db2.gz FGVDGMXNTLAAIM-UHFFFAOYSA-N 1 2 318.333 1.818 20 5 DDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000582014543 422091398 /nfs/dbraw/zinc/09/13/98/422091398.db2.gz WBMRDAINQOIKDT-UHFFFAOYSA-N 1 2 324.362 1.701 20 5 DDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000582014543 422091401 /nfs/dbraw/zinc/09/14/01/422091401.db2.gz WBMRDAINQOIKDT-UHFFFAOYSA-N 1 2 324.362 1.701 20 5 DDBDLO C[C@@H](Nc1cccc(C(N)=O)c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000342017228 271276448 /nfs/dbraw/zinc/27/64/48/271276448.db2.gz YJGSYJONGBKRKR-GHMZBOCLSA-N 1 2 322.365 1.215 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC000345438838 272251297 /nfs/dbraw/zinc/25/12/97/272251297.db2.gz FFUVGWFPQQHIAL-UHFFFAOYSA-N 1 2 312.289 1.971 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCn3c[nH+]cc3C2)c(Br)c1 ZINC000290635141 275041256 /nfs/dbraw/zinc/04/12/56/275041256.db2.gz HJPOPHBJBVQKTC-UHFFFAOYSA-N 1 2 324.138 1.969 20 5 DDBDLO COc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000356908493 298909089 /nfs/dbraw/zinc/90/90/89/298909089.db2.gz VOSZXYGAGZJTPS-JTQLQIEISA-N 1 2 316.317 1.545 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000363037582 300202287 /nfs/dbraw/zinc/20/22/87/300202287.db2.gz IUZXGUPYVAWBAV-SECBINFHSA-N 1 2 316.317 1.614 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000363037582 300202289 /nfs/dbraw/zinc/20/22/89/300202289.db2.gz IUZXGUPYVAWBAV-SECBINFHSA-N 1 2 316.317 1.614 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000370046405 301265288 /nfs/dbraw/zinc/26/52/88/301265288.db2.gz RCHKZENOJVAZHC-ZDUSSCGKSA-N 1 2 323.397 1.015 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000370046405 301265289 /nfs/dbraw/zinc/26/52/89/301265289.db2.gz RCHKZENOJVAZHC-ZDUSSCGKSA-N 1 2 323.397 1.015 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000370046405 301265292 /nfs/dbraw/zinc/26/52/92/301265292.db2.gz RCHKZENOJVAZHC-ZDUSSCGKSA-N 1 2 323.397 1.015 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440279849 302389477 /nfs/dbraw/zinc/38/94/77/302389477.db2.gz UEEOVMMFVQPMBM-NSHDSACASA-N 1 2 320.349 1.004 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440279849 302389480 /nfs/dbraw/zinc/38/94/80/302389480.db2.gz UEEOVMMFVQPMBM-NSHDSACASA-N 1 2 320.349 1.004 20 5 DDBDLO COC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000357610159 306898437 /nfs/dbraw/zinc/89/84/37/306898437.db2.gz CKLKKFOBJCGZBL-UHFFFAOYSA-N 1 2 302.290 1.251 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368790668 307109659 /nfs/dbraw/zinc/10/96/59/307109659.db2.gz IQQJTKUVKLVQGH-MFKMUULPSA-N 1 2 305.334 1.379 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368790668 307109660 /nfs/dbraw/zinc/10/96/60/307109660.db2.gz IQQJTKUVKLVQGH-MFKMUULPSA-N 1 2 305.334 1.379 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373758444 307194543 /nfs/dbraw/zinc/19/45/43/307194543.db2.gz OTZSXQJMACCZIH-HNNXBMFYSA-N 1 2 324.381 1.488 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373758444 307194544 /nfs/dbraw/zinc/19/45/44/307194544.db2.gz OTZSXQJMACCZIH-HNNXBMFYSA-N 1 2 324.381 1.488 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567750367 308094184 /nfs/dbraw/zinc/09/41/84/308094184.db2.gz STMDBBUQABXQJI-LBPRGKRZSA-N 1 2 306.366 1.611 20 5 DDBDLO C[N@H+]1CCO[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567750367 308094186 /nfs/dbraw/zinc/09/41/86/308094186.db2.gz STMDBBUQABXQJI-LBPRGKRZSA-N 1 2 306.366 1.611 20 5 DDBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050901010 696235095 /nfs/dbraw/zinc/23/50/95/696235095.db2.gz DAFUZFZZHABRAH-OLZOCXBDSA-N 1 2 323.397 1.766 20 5 DDBDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050901010 696235098 /nfs/dbraw/zinc/23/50/98/696235098.db2.gz DAFUZFZZHABRAH-OLZOCXBDSA-N 1 2 323.397 1.766 20 5 DDBDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000101904290 696609213 /nfs/dbraw/zinc/60/92/13/696609213.db2.gz APUKSBINDQXPRS-GFCCVEGCSA-N 1 2 309.370 1.233 20 5 DDBDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000101904290 696609214 /nfs/dbraw/zinc/60/92/14/696609214.db2.gz APUKSBINDQXPRS-GFCCVEGCSA-N 1 2 309.370 1.233 20 5 DDBDLO Cc1nn(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000131078355 696803932 /nfs/dbraw/zinc/80/39/32/696803932.db2.gz FCKJQTVRLANNBX-RYUDHWBXSA-N 1 2 312.395 1.572 20 5 DDBDLO Cc1nn(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000131078355 696803933 /nfs/dbraw/zinc/80/39/33/696803933.db2.gz FCKJQTVRLANNBX-RYUDHWBXSA-N 1 2 312.395 1.572 20 5 DDBDLO C[C@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1C ZINC000246629358 698352985 /nfs/dbraw/zinc/35/29/85/698352985.db2.gz AWNBXGXLOQDYFW-UWVGGRQHSA-N 1 2 303.318 1.879 20 5 DDBDLO C[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1C 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DDBDLO CN(CC(=O)NC1CC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413030487 529832789 /nfs/dbraw/zinc/83/27/89/529832789.db2.gz HGWZYRBUFZUELY-UHFFFAOYSA-N 1 2 300.318 1.858 20 5 DDBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C(N)=O ZINC000295836795 530021089 /nfs/dbraw/zinc/02/10/89/530021089.db2.gz ZENROPTWGRUNAR-UHFFFAOYSA-N 1 2 319.321 1.341 20 5 DDBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C(N)=O ZINC000295836795 530021090 /nfs/dbraw/zinc/02/10/90/530021090.db2.gz ZENROPTWGRUNAR-UHFFFAOYSA-N 1 2 319.321 1.341 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330818658 232091178 /nfs/dbraw/zinc/09/11/78/232091178.db2.gz GSWNXBLEGLLWDU-QWRGUYRKSA-N 1 2 313.379 1.409 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330818658 232091179 /nfs/dbraw/zinc/09/11/79/232091179.db2.gz GSWNXBLEGLLWDU-QWRGUYRKSA-N 1 2 313.379 1.409 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCOCC1 ZINC000615990691 362512329 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Cc1nn(C)c(-c2nc(Cc3ccc[nH+]c3C)no2)c1[N+](=O)[O-] ZINC000351238049 410050937 /nfs/dbraw/zinc/05/09/37/410050937.db2.gz SFUBFHIUGFEOPH-UHFFFAOYSA-N 1 2 314.305 1.981 20 5 DDBDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000357534161 410088786 /nfs/dbraw/zinc/08/87/86/410088786.db2.gz NHMJRFHBDBFJRM-SNVBAGLBSA-N 1 2 316.321 1.385 20 5 DDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000351774915 410223983 /nfs/dbraw/zinc/22/39/83/410223983.db2.gz PJQRVSJROVSOQZ-PELKAZGASA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000351774915 410223988 /nfs/dbraw/zinc/22/39/88/410223988.db2.gz PJQRVSJROVSOQZ-PELKAZGASA-N 1 2 313.741 1.499 20 5 DDBDLO COC(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355124563 410328402 /nfs/dbraw/zinc/32/84/02/410328402.db2.gz CEZLVUDKBMDZPX-ZJUUUORDSA-N 1 2 309.322 1.463 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1CCO ZINC000347374050 410504681 /nfs/dbraw/zinc/50/46/81/410504681.db2.gz RPLYZWCVHZLLIO-CYBMUJFWSA-N 1 2 312.391 1.903 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1CCO ZINC000347374050 410504686 /nfs/dbraw/zinc/50/46/86/410504686.db2.gz RPLYZWCVHZLLIO-CYBMUJFWSA-N 1 2 312.391 1.903 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2-n2cccn2)n1 ZINC000355530832 410564416 /nfs/dbraw/zinc/56/44/16/410564416.db2.gz VWCOTLINQJNIRH-UHFFFAOYSA-N 1 2 313.277 1.161 20 5 DDBDLO CCn1cc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000355511699 410555441 /nfs/dbraw/zinc/55/54/41/410555441.db2.gz IYORSQCLZXFTRR-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO CCn1cc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000355511699 410555444 /nfs/dbraw/zinc/55/54/44/410555444.db2.gz IYORSQCLZXFTRR-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO Cc1nn(C)c(-c2nc(Cc3ccc(C)[nH+]c3)no2)c1[N+](=O)[O-] ZINC000356114429 410842637 /nfs/dbraw/zinc/84/26/37/410842637.db2.gz RHGWQVGBUKSBDS-UHFFFAOYSA-N 1 2 314.305 1.981 20 5 DDBDLO O=C(NCCNc1cccc[nH+]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356316689 410963496 /nfs/dbraw/zinc/96/34/96/410963496.db2.gz UYZFSNFCAQPSFD-UHFFFAOYSA-N 1 2 302.290 1.537 20 5 DDBDLO C[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)S1=O ZINC000331148659 410980392 /nfs/dbraw/zinc/98/03/92/410980392.db2.gz HJGHURCOHSVVSC-VXGBXAGGSA-N 1 2 312.391 1.815 20 5 DDBDLO Cn1cc(C[NH+]2CCN(Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000353434974 410985147 /nfs/dbraw/zinc/98/51/47/410985147.db2.gz KOPYKUICZRGFBD-UHFFFAOYSA-N 1 2 321.406 1.708 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000331163816 410990239 /nfs/dbraw/zinc/99/02/39/410990239.db2.gz RSQJPUVHUUTVOG-CQSZACIVSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000331163816 410990246 /nfs/dbraw/zinc/99/02/46/410990246.db2.gz RSQJPUVHUUTVOG-CQSZACIVSA-N 1 2 307.350 1.713 20 5 DDBDLO NC(=O)c1cccc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000341359800 411023113 /nfs/dbraw/zinc/02/31/13/411023113.db2.gz SHCPXVAIBXEWMR-UHFFFAOYSA-N 1 2 311.301 1.954 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000134426293 196390752 /nfs/dbraw/zinc/39/07/52/196390752.db2.gz RPQNLEGNTKKERK-KBPBESRZSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000134426293 196390754 /nfs/dbraw/zinc/39/07/54/196390754.db2.gz RPQNLEGNTKKERK-KBPBESRZSA-N 1 2 320.349 1.450 20 5 DDBDLO CNc1nccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000514737955 416672640 /nfs/dbraw/zinc/67/26/40/416672640.db2.gz COIDGYAAMDZOLE-UHFFFAOYSA-N 1 2 304.310 1.420 20 5 DDBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000366990365 418549129 /nfs/dbraw/zinc/54/91/29/418549129.db2.gz SUBFGLRRQBUROG-OAHLLOKOSA-N 1 2 321.377 1.316 20 5 DDBDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000366990365 418549131 /nfs/dbraw/zinc/54/91/31/418549131.db2.gz SUBFGLRRQBUROG-OAHLLOKOSA-N 1 2 321.377 1.316 20 5 DDBDLO COCC[C@@H]1COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291282840 222284891 /nfs/dbraw/zinc/28/48/91/222284891.db2.gz QNOXEGVIPIEMTL-HUUCEWRRSA-N 1 2 310.350 1.366 20 5 DDBDLO COCC[C@@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291282840 222284893 /nfs/dbraw/zinc/28/48/93/222284893.db2.gz QNOXEGVIPIEMTL-HUUCEWRRSA-N 1 2 310.350 1.366 20 5 DDBDLO CCc1nn(C)c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000367735185 418628901 /nfs/dbraw/zinc/62/89/01/418628901.db2.gz XFKPGLJWPGLVMP-NWDGAFQWSA-N 1 2 323.397 1.190 20 5 DDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000361554061 418676011 /nfs/dbraw/zinc/67/60/11/418676011.db2.gz RLTWIVOOBGHUDK-LLVKDONJSA-N 1 2 317.349 1.751 20 5 DDBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477777 418865792 /nfs/dbraw/zinc/86/57/92/418865792.db2.gz RBDVPGUKSYPYJM-DAKYAEBGSA-N 1 2 312.391 1.471 20 5 DDBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477777 418865794 /nfs/dbraw/zinc/86/57/94/418865794.db2.gz RBDVPGUKSYPYJM-DAKYAEBGSA-N 1 2 312.391 1.471 20 5 DDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365280406 418848489 /nfs/dbraw/zinc/84/84/89/418848489.db2.gz RNIMDJLCUZFULA-GFCCVEGCSA-N 1 2 313.379 1.108 20 5 DDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365280406 418848490 /nfs/dbraw/zinc/84/84/90/418848490.db2.gz RNIMDJLCUZFULA-GFCCVEGCSA-N 1 2 313.379 1.108 20 5 DDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cn2c(n1)CCCC2 ZINC000372998995 418919610 /nfs/dbraw/zinc/91/96/10/418919610.db2.gz RFQOHFVBEWJFIO-UHFFFAOYSA-N 1 2 304.354 1.456 20 5 DDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cn2c(n1)CCCC2 ZINC000372998995 418919611 /nfs/dbraw/zinc/91/96/11/418919611.db2.gz RFQOHFVBEWJFIO-UHFFFAOYSA-N 1 2 304.354 1.456 20 5 DDBDLO CN(CCn1cc([N+](=O)[O-])cn1)Cc1cn2c([nH+]1)CCCC2 ZINC000372998995 418919613 /nfs/dbraw/zinc/91/96/13/418919613.db2.gz RFQOHFVBEWJFIO-UHFFFAOYSA-N 1 2 304.354 1.456 20 5 DDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[NH2+]CC1(F)F ZINC000423727879 420145516 /nfs/dbraw/zinc/14/55/16/420145516.db2.gz LHHZTRLBRPPURN-QMMMGPOBSA-N 1 2 301.249 1.484 20 5 DDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000423739804 420152332 /nfs/dbraw/zinc/15/23/32/420152332.db2.gz WCGNNZVLBDBATQ-MRVPVSSYSA-N 1 2 317.305 1.353 20 5 DDBDLO COCC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]C1 ZINC000423739299 420153050 /nfs/dbraw/zinc/15/30/50/420153050.db2.gz VTFSGBXKKBQHHJ-AWEZNQCLSA-N 1 2 309.322 1.255 20 5 DDBDLO CC[C@@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420624466 420333191 /nfs/dbraw/zinc/33/31/91/420333191.db2.gz JLVVFTZZNFDUHA-CYBMUJFWSA-N 1 2 302.334 1.965 20 5 DDBDLO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000302176933 230142910 /nfs/dbraw/zinc/14/29/10/230142910.db2.gz XMCGHPYRTOEZSI-UHFFFAOYSA-N 1 2 315.333 1.961 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425543138 420412856 /nfs/dbraw/zinc/41/28/56/420412856.db2.gz HTUWYFYGDJKVGF-MRVPVSSYSA-N 1 2 309.276 1.981 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425543138 420412860 /nfs/dbraw/zinc/41/28/60/420412860.db2.gz HTUWYFYGDJKVGF-MRVPVSSYSA-N 1 2 309.276 1.981 20 5 DDBDLO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000457108986 420617661 /nfs/dbraw/zinc/61/76/61/420617661.db2.gz GOVPRMNSPSWCQO-LBPRGKRZSA-N 1 2 307.350 1.855 20 5 DDBDLO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000457108986 420617662 /nfs/dbraw/zinc/61/76/62/420617662.db2.gz GOVPRMNSPSWCQO-LBPRGKRZSA-N 1 2 307.350 1.855 20 5 DDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492753851 420652613 /nfs/dbraw/zinc/65/26/13/420652613.db2.gz SLEZDWPGOVZEML-MUBLQREKSA-N 1 2 312.329 1.936 20 5 DDBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)O ZINC000456202899 421118998 /nfs/dbraw/zinc/11/89/98/421118998.db2.gz YOPOWBGFODAWHH-ZYHUDNBSSA-N 1 2 318.333 1.670 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523732318 421248923 /nfs/dbraw/zinc/24/89/23/421248923.db2.gz CGPYMMNQVFIYDG-NSHDSACASA-N 1 2 322.365 1.087 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523732318 421248924 /nfs/dbraw/zinc/24/89/24/421248924.db2.gz CGPYMMNQVFIYDG-NSHDSACASA-N 1 2 322.365 1.087 20 5 DDBDLO [NH3+][C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cscn1 ZINC000562972557 421433138 /nfs/dbraw/zinc/43/31/38/421433138.db2.gz IGAQWYAJMGWXJP-ZDUSSCGKSA-N 1 2 318.358 1.636 20 5 DDBDLO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CC(C)C1 ZINC000553543628 421619744 /nfs/dbraw/zinc/61/97/44/421619744.db2.gz AXFILQCATKJIIE-VIFPVBQESA-N 1 2 303.322 1.750 20 5 DDBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000541983383 421816750 /nfs/dbraw/zinc/81/67/50/421816750.db2.gz JGUNGISKZFSYNC-LLVKDONJSA-N 1 2 306.322 1.160 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000542508628 421824428 /nfs/dbraw/zinc/82/44/28/421824428.db2.gz LMVXGFYMDFYKMO-LLVKDONJSA-N 1 2 317.349 1.671 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000542508628 421824430 /nfs/dbraw/zinc/82/44/30/421824430.db2.gz LMVXGFYMDFYKMO-LLVKDONJSA-N 1 2 317.349 1.671 20 5 DDBDLO Cc1ccn2cc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)[nH+]c2c1 ZINC000342273297 271362156 /nfs/dbraw/zinc/36/21/56/271362156.db2.gz PQJLUTRGPSSODF-UHFFFAOYSA-N 1 2 314.305 1.064 20 5 DDBDLO Cc1cccc2[nH+]c(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cn21 ZINC000345430842 272248606 /nfs/dbraw/zinc/24/86/06/272248606.db2.gz TUKHWLUSNNNPJJ-UHFFFAOYSA-N 1 2 314.305 1.214 20 5 DDBDLO COCC[NH+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000281096406 277225517 /nfs/dbraw/zinc/22/55/17/277225517.db2.gz VOGLRTLWLGOPTB-UHFFFAOYSA-N 1 2 307.350 1.566 20 5 DDBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000407993774 279049689 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Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000365099667 300479530 /nfs/dbraw/zinc/47/95/30/300479530.db2.gz CCZAGEFDDQAFBX-SNVBAGLBSA-N 1 2 306.347 1.906 20 5 DDBDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000366556979 300716440 /nfs/dbraw/zinc/71/64/40/300716440.db2.gz QWWPDEFGAOUPHV-AWEZNQCLSA-N 1 2 319.361 1.450 20 5 DDBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000369020264 301120179 /nfs/dbraw/zinc/12/01/79/301120179.db2.gz VYLYSZYCHVUIKA-NSHDSACASA-N 1 2 318.337 1.889 20 5 DDBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000369020264 301120180 /nfs/dbraw/zinc/12/01/80/301120180.db2.gz VYLYSZYCHVUIKA-NSHDSACASA-N 1 2 318.337 1.889 20 5 DDBDLO CC(C)C(=O)N1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370055073 301268035 /nfs/dbraw/zinc/26/80/35/301268035.db2.gz GKEKWIINALFPIT-UHFFFAOYSA-N 1 2 309.370 1.019 20 5 DDBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370055073 301268037 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321.352 1.347 20 5 DDBDLO O=C(NCC1=CC[N@H+](Cc2nccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669708 762075596 /nfs/dbraw/zinc/07/55/96/762075596.db2.gz KIUUNNJVLVFZNJ-VXGBXAGGSA-N 1 2 322.390 1.057 20 5 DDBDLO O=C(NCC1=CC[N@@H+](Cc2nccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000669708 762075607 /nfs/dbraw/zinc/07/56/07/762075607.db2.gz KIUUNNJVLVFZNJ-VXGBXAGGSA-N 1 2 322.390 1.057 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2nc(Cl)c(C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001156242222 762185845 /nfs/dbraw/zinc/18/58/45/762185845.db2.gz DKQZFRPPVCJQRX-YUMQZZPRSA-N 1 2 314.729 1.267 20 5 DDBDLO CC(=O)Nc1ccc(NC[C@@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001169658452 762581325 /nfs/dbraw/zinc/58/13/25/762581325.db2.gz WRVZAHQWXRDUSM-GFCCVEGCSA-N 1 2 308.338 1.296 20 5 DDBDLO CC(=O)Nc1ccc(NC[C@@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001169658452 762581328 /nfs/dbraw/zinc/58/13/28/762581328.db2.gz WRVZAHQWXRDUSM-GFCCVEGCSA-N 1 2 308.338 1.296 20 5 DDBDLO COC[C@@H]1COCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355151 766261198 /nfs/dbraw/zinc/26/11/98/766261198.db2.gz VYXSDYQWJYOWRS-TZMCWYRMSA-N 1 2 324.377 1.882 20 5 DDBDLO COC[C@@H]1COCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355151 766261204 /nfs/dbraw/zinc/26/12/04/766261204.db2.gz VYXSDYQWJYOWRS-TZMCWYRMSA-N 1 2 324.377 1.882 20 5 DDBDLO O=C(CCn1cc[nH+]c1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094692421 776202151 /nfs/dbraw/zinc/20/21/51/776202151.db2.gz JYSUCSVTXVQDKY-UHFFFAOYSA-N 1 2 317.349 1.800 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101718441 777430261 /nfs/dbraw/zinc/43/02/61/777430261.db2.gz XIBNADDXRRBOTH-UHFFFAOYSA-N 1 2 318.337 1.134 20 5 DDBDLO COC(=O)Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001226216243 882282616 /nfs/dbraw/zinc/28/26/16/882282616.db2.gz GTHCCUJBSAMMRR-GFCCVEGCSA-N 1 2 324.333 1.020 20 5 DDBDLO COC(=O)Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001226216243 882282625 /nfs/dbraw/zinc/28/26/25/882282625.db2.gz GTHCCUJBSAMMRR-GFCCVEGCSA-N 1 2 324.333 1.020 20 5 DDBDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001313445650 871807204 /nfs/dbraw/zinc/80/72/04/871807204.db2.gz ZSCVLBMCTXPTOK-HZPDHXFCSA-N 1 2 317.389 1.613 20 5 DDBDLO Nc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]cn1 ZINC001318518769 872124839 /nfs/dbraw/zinc/12/48/39/872124839.db2.gz IUVNNYSXELAWCD-UHFFFAOYSA-N 1 2 300.322 1.294 20 5 DDBDLO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC001347597694 874207016 /nfs/dbraw/zinc/20/70/16/874207016.db2.gz RYERSXZWKPHXGH-ZWKOPEQDSA-N 1 2 305.334 1.370 20 5 DDBDLO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC001347597694 874207029 /nfs/dbraw/zinc/20/70/29/874207029.db2.gz RYERSXZWKPHXGH-ZWKOPEQDSA-N 1 2 305.334 1.370 20 5 DDBDLO CSc1nc(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625188 883108407 /nfs/dbraw/zinc/10/84/07/883108407.db2.gz RZVFFBDNZUTUFK-UHFFFAOYSA-N 1 2 300.340 1.285 20 5 DDBDLO CCCSc1nc(O[C@H]2C[NH2+][C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218393453 877474810 /nfs/dbraw/zinc/47/48/10/877474810.db2.gz UVCDJRUWMUOMCV-BQBZGAKWSA-N 1 2 300.340 1.332 20 5 DDBDLO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001473827852 880987587 /nfs/dbraw/zinc/98/75/87/880987587.db2.gz MEZHXCCAQMCCKT-AWEZNQCLSA-N 1 2 321.377 1.820 20 5 DDBDLO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001473827852 880987595 /nfs/dbraw/zinc/98/75/95/880987595.db2.gz MEZHXCCAQMCCKT-AWEZNQCLSA-N 1 2 321.377 1.820 20 5 DDBDLO Cc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC001262004712 899893803 /nfs/dbraw/zinc/89/38/03/899893803.db2.gz DWXWQQCPKPGXTC-UHFFFAOYSA-N 1 2 315.333 1.825 20 5 DDBDLO CCNC(=O)C[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083133797 185213820 /nfs/dbraw/zinc/21/38/20/185213820.db2.gz VFEKTVIMXZEFNE-UHFFFAOYSA-N 1 2 306.322 1.694 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083133797 185213821 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DDBDLO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000088728302 353757618 /nfs/dbraw/zinc/75/76/18/353757618.db2.gz OUDZJJPMWQMHDX-CYBMUJFWSA-N 1 2 309.366 1.033 20 5 DDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1c[nH+]cn1C ZINC000292122852 354448188 /nfs/dbraw/zinc/44/81/88/354448188.db2.gz WZSPTZYBFBRLLF-UHFFFAOYSA-N 1 2 303.322 1.670 20 5 DDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1O ZINC000587051402 354878905 /nfs/dbraw/zinc/87/89/05/354878905.db2.gz NARASVLXVGUFLH-VIFPVBQESA-N 1 2 302.290 1.242 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587044971 354878973 /nfs/dbraw/zinc/87/89/73/354878973.db2.gz DSGZPZOCWPVDCM-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000589495318 354995697 /nfs/dbraw/zinc/99/56/97/354995697.db2.gz NUVBGHDZCHXNQL-UHFFFAOYSA-N 1 2 318.333 1.747 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000589495318 354995699 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972447 355227100 /nfs/dbraw/zinc/22/71/00/355227100.db2.gz VQDRNTZRDNKJFA-DOMZBBRYSA-N 1 2 319.361 1.953 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972447 355227103 /nfs/dbraw/zinc/22/71/03/355227103.db2.gz VQDRNTZRDNKJFA-DOMZBBRYSA-N 1 2 319.361 1.953 20 5 DDBDLO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000591185504 355262690 /nfs/dbraw/zinc/26/26/90/355262690.db2.gz YZPINTMGMHFPNM-UHFFFAOYSA-N 1 2 315.395 1.440 20 5 DDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2N)[nH+]1 ZINC000593734012 355979670 /nfs/dbraw/zinc/97/96/70/355979670.db2.gz JPWWKYRAXIFFGV-UHFFFAOYSA-N 1 2 303.322 1.874 20 5 DDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594403220 356198302 /nfs/dbraw/zinc/19/83/02/356198302.db2.gz NMMRERSDGRKFHV-MXWKQRLJSA-N 1 2 310.354 1.150 20 5 DDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 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O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nnc(C3CC3)[nH]1)CC2 ZINC000347792314 283279768 /nfs/dbraw/zinc/27/97/68/283279768.db2.gz WPZRAZPJLHYXCN-UHFFFAOYSA-N 1 2 300.322 1.544 20 5 DDBDLO COc1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000598946941 357771109 /nfs/dbraw/zinc/77/11/09/357771109.db2.gz JAUHRFRBLAYRBM-VIFPVBQESA-N 1 2 302.290 1.155 20 5 DDBDLO COC[C@@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000599696029 358030021 /nfs/dbraw/zinc/03/00/21/358030021.db2.gz ZRQOHLACMFMXMD-OAHLLOKOSA-N 1 2 310.350 1.841 20 5 DDBDLO COC[C@@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000599696029 358030023 /nfs/dbraw/zinc/03/00/23/358030023.db2.gz ZRQOHLACMFMXMD-OAHLLOKOSA-N 1 2 310.350 1.841 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600422242 358216758 /nfs/dbraw/zinc/21/67/58/358216758.db2.gz TYOFTEVURZAIKW-QLFBSQMISA-N 1 2 319.361 1.145 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600422242 358216760 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COC[C@H]1CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840082291 701957782 /nfs/dbraw/zinc/95/77/82/701957782.db2.gz AIQHIHFTJZFYEJ-CYBMUJFWSA-N 1 2 303.322 1.532 20 5 DDBDLO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840407305 702099982 /nfs/dbraw/zinc/09/99/82/702099982.db2.gz FPAZJYSQAKWCME-HUUCEWRRSA-N 1 2 319.361 1.247 20 5 DDBDLO C[C@H]1CCOCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853506337 704252946 /nfs/dbraw/zinc/25/29/46/704252946.db2.gz ZNTSBGKEXDTIMV-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO C[C@H]1CCOCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853506337 704252948 /nfs/dbraw/zinc/25/29/48/704252948.db2.gz ZNTSBGKEXDTIMV-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1F ZINC000857943149 704646294 /nfs/dbraw/zinc/64/62/94/704646294.db2.gz CXYRBRVGEAJZCN-SECBINFHSA-N 1 2 304.281 1.675 20 5 DDBDLO CC(=O)c1c(NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000881735611 707343703 /nfs/dbraw/zinc/34/37/03/707343703.db2.gz NIAAOZHXLZUXIS-UHFFFAOYSA-N 1 2 307.350 1.932 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880295612 706931285 /nfs/dbraw/zinc/93/12/85/706931285.db2.gz VKSSDTUXMHCGNB-JTQLQIEISA-N 1 2 311.313 1.833 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880295612 706931287 /nfs/dbraw/zinc/93/12/87/706931287.db2.gz VKSSDTUXMHCGNB-JTQLQIEISA-N 1 2 311.313 1.833 20 5 DDBDLO CC(C)(C)OC(=O)C1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834383151 707042335 /nfs/dbraw/zinc/04/23/35/707042335.db2.gz RPUPCEHCPANXHD-CQSZACIVSA-N 1 2 322.361 1.902 20 5 DDBDLO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036704 707284252 /nfs/dbraw/zinc/28/42/52/707284252.db2.gz VKXWGKMFSIKDOI-RYUDHWBXSA-N 1 2 310.373 1.630 20 5 DDBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCCF ZINC000872068652 707287250 /nfs/dbraw/zinc/28/72/50/707287250.db2.gz IPXHLAHHIYGNRN-RKDXNWHRSA-N 1 2 301.293 1.859 20 5 DDBDLO CC(C)(CCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[N+](=O)[O-] ZINC000837925826 707782979 /nfs/dbraw/zinc/78/29/79/707782979.db2.gz WXRACABQCQJKKU-TXEJJXNPSA-N 1 2 300.355 1.228 20 5 DDBDLO CC(C)(CCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[N+](=O)[O-] ZINC000837925826 707782984 /nfs/dbraw/zinc/78/29/84/707782984.db2.gz WXRACABQCQJKKU-TXEJJXNPSA-N 1 2 300.355 1.228 20 5 DDBDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)c1ccccc1[N+](=O)[O-] ZINC000887403305 709037547 /nfs/dbraw/zinc/03/75/47/709037547.db2.gz SYXADPYLOQILPM-LLVKDONJSA-N 1 2 302.334 1.791 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000891611818 710247791 /nfs/dbraw/zinc/24/77/91/710247791.db2.gz CJFRCYBCJIIRLU-UHFFFAOYSA-N 1 2 318.333 1.914 20 5 DDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895650454 711569483 /nfs/dbraw/zinc/56/94/83/711569483.db2.gz VEKHIUIATHHNOP-PRHODGIISA-N 1 2 313.151 1.924 20 5 DDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895650454 711569486 /nfs/dbraw/zinc/56/94/86/711569486.db2.gz VEKHIUIATHHNOP-PRHODGIISA-N 1 2 313.151 1.924 20 5 DDBDLO COC(=O)/C=C(\C)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929246235 713575357 /nfs/dbraw/zinc/57/53/57/713575357.db2.gz DWTKFNOQOFGKDC-ACCUITESSA-N 1 2 319.361 1.836 20 5 DDBDLO COC1(OC)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000931640796 714146947 /nfs/dbraw/zinc/14/69/47/714146947.db2.gz RSMYHCPQFOEPQD-ZDUSSCGKSA-N 1 2 314.313 1.290 20 5 DDBDLO COC1(OC)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000931640796 714146948 /nfs/dbraw/zinc/14/69/48/714146948.db2.gz RSMYHCPQFOEPQD-ZDUSSCGKSA-N 1 2 314.313 1.290 20 5 DDBDLO Cc1c(F)cnc(NCC2([NH+]3CCCC3)COC2)c1[N+](=O)[O-] ZINC001168443263 744907131 /nfs/dbraw/zinc/90/71/31/744907131.db2.gz FTTMQVOTZHUKOF-UHFFFAOYSA-N 1 2 310.329 1.714 20 5 DDBDLO [NH3+][C@@H](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC001121975468 744988921 /nfs/dbraw/zinc/98/89/21/744988921.db2.gz SKIRBJYZWIPESH-VIFPVBQESA-N 1 2 307.684 1.847 20 5 DDBDLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961846 762156205 /nfs/dbraw/zinc/15/62/05/762156205.db2.gz KFVDLNFWOOGOHQ-IPYPFGDCSA-N 1 2 322.361 1.511 20 5 DDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2ccccc2)C1 ZINC001042710232 764378673 /nfs/dbraw/zinc/37/86/73/764378673.db2.gz AMQAJJGEHDTWDQ-HZPDHXFCSA-N 1 2 317.389 1.427 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC001129593822 766947819 /nfs/dbraw/zinc/94/78/19/766947819.db2.gz IDLDRYGFFYDKCI-UHFFFAOYSA-N 1 2 300.278 1.711 20 5 DDBDLO C[C@](CO)(NC(=O)CCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC001171460653 776288912 /nfs/dbraw/zinc/28/89/12/776288912.db2.gz FFKKSVIDGUZBEK-OAHLLOKOSA-N 1 2 318.333 1.274 20 5 DDBDLO C[C@](CO)(NC(=O)CCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001171460653 776288916 /nfs/dbraw/zinc/28/89/16/776288916.db2.gz FFKKSVIDGUZBEK-OAHLLOKOSA-N 1 2 318.333 1.274 20 5 DDBDLO Cc1cnc(NCCN(C)C(=O)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001101671936 777374286 /nfs/dbraw/zinc/37/42/86/777374286.db2.gz NNUIYHZBRZGQMZ-UHFFFAOYSA-N 1 2 318.337 1.065 20 5 DDBDLO CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001101976085 777756912 /nfs/dbraw/zinc/75/69/12/777756912.db2.gz ZWCUHWVJKNOCRX-UHFFFAOYSA-N 1 2 321.312 1.570 20 5 DDBDLO Cc1cccn2cc(CC(=O)Nc3cc([N+](=O)[O-])n[nH]3)[nH+]c12 ZINC001155037329 861665773 /nfs/dbraw/zinc/66/57/73/861665773.db2.gz BAZBBAORAQJPLE-UHFFFAOYSA-N 1 2 300.278 1.455 20 5 DDBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001161949782 867130527 /nfs/dbraw/zinc/13/05/27/867130527.db2.gz AQBJBZWCIJVKSF-SNVBAGLBSA-N 1 2 304.306 1.445 20 5 DDBDLO O=[N+]([O-])CC[NH2+][C@@H](CCO)c1ccccc1Br ZINC001334687595 867769837 /nfs/dbraw/zinc/76/98/37/867769837.db2.gz XTUFNYSZSPXQOQ-NSHDSACASA-N 1 2 303.156 1.739 20 5 DDBDLO COc1cccc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC001338084762 869791043 /nfs/dbraw/zinc/79/10/43/869791043.db2.gz SFRITYOSQOMIAC-AAEUAGOBSA-N 1 2 308.382 1.650 20 5 DDBDLO COc1cccc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC001338084762 869791050 /nfs/dbraw/zinc/79/10/50/869791050.db2.gz SFRITYOSQOMIAC-AAEUAGOBSA-N 1 2 308.382 1.650 20 5 DDBDLO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCCn1cc[nH+]c1 ZINC001310517749 871636775 /nfs/dbraw/zinc/63/67/75/871636775.db2.gz BYGVNPHVNIQOHA-UHFFFAOYSA-N 1 2 304.310 1.128 20 5 DDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001318871327 872315940 /nfs/dbraw/zinc/31/59/40/872315940.db2.gz SAUMYGRSIDUSQZ-UHFFFAOYSA-N 1 2 311.363 1.053 20 5 DDBDLO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2C[NH2+]CCC[C@H]2F)[nH]1 ZINC001217978953 877365004 /nfs/dbraw/zinc/36/50/04/877365004.db2.gz DQMCSRMCIBTDMU-PWSUYJOCSA-N 1 2 322.296 1.713 20 5 DDBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CCCC[NH2+]C2)[nH]1 ZINC001217973636 877365057 /nfs/dbraw/zinc/36/50/57/877365057.db2.gz YIAQIDBBBPKKKB-JTQLQIEISA-N 1 2 304.306 1.765 20 5 DDBDLO CCCSc1nc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229797086 884169854 /nfs/dbraw/zinc/16/98/54/884169854.db2.gz RYVIUGIQJVOEHX-MRVPVSSYSA-N 1 2 314.367 1.675 20 5 DDBDLO CCCSc1nc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229797086 884169863 /nfs/dbraw/zinc/16/98/63/884169863.db2.gz RYVIUGIQJVOEHX-MRVPVSSYSA-N 1 2 314.367 1.675 20 5 DDBDLO C[N@@H+]1CCO[C@@H](COc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233786356 887325566 /nfs/dbraw/zinc/32/55/66/887325566.db2.gz OCMZJRMYTZSBNS-LLVKDONJSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233786356 887325580 /nfs/dbraw/zinc/32/55/80/887325580.db2.gz OCMZJRMYTZSBNS-LLVKDONJSA-N 1 2 303.318 1.852 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000295784388 529578852 /nfs/dbraw/zinc/57/88/52/529578852.db2.gz QLXYFPRZGIERQX-UHFFFAOYSA-N 1 2 304.306 1.750 20 5 DDBDLO COC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000090549785 185302279 /nfs/dbraw/zinc/30/22/79/185302279.db2.gz UEWSKCIXHMHNCJ-UHFFFAOYSA-N 1 2 323.349 1.222 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000330908998 232154325 /nfs/dbraw/zinc/15/43/25/232154325.db2.gz DMMLPKFITATHAD-NSHDSACASA-N 1 2 324.381 1.882 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000330908998 232154329 /nfs/dbraw/zinc/15/43/29/232154329.db2.gz DMMLPKFITATHAD-NSHDSACASA-N 1 2 324.381 1.882 20 5 DDBDLO CC(C)Oc1cc[nH+]cc1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000287034580 219280243 /nfs/dbraw/zinc/28/02/43/219280243.db2.gz RRNFSANGBJDITB-UHFFFAOYSA-N 1 2 320.305 1.868 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)c1 ZINC000279912105 215231888 /nfs/dbraw/zinc/23/18/88/215231888.db2.gz FKMJJSPNPFLYIW-ZDUSSCGKSA-N 1 2 324.402 1.994 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)c1 ZINC000279912105 215231890 /nfs/dbraw/zinc/23/18/90/215231890.db2.gz FKMJJSPNPFLYIW-ZDUSSCGKSA-N 1 2 324.402 1.994 20 5 DDBDLO CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172189176 198054510 /nfs/dbraw/zinc/05/45/10/198054510.db2.gz RQCNZPXAAZPDLH-XHDPSFHLSA-N 1 2 307.350 1.493 20 5 DDBDLO CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172189176 198054512 /nfs/dbraw/zinc/05/45/12/198054512.db2.gz RQCNZPXAAZPDLH-XHDPSFHLSA-N 1 2 307.350 1.493 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)on1 ZINC000028623505 352230938 /nfs/dbraw/zinc/23/09/38/352230938.db2.gz HVXZRWRMSULYEL-UHFFFAOYSA-N 1 2 303.322 1.608 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067004166 353031073 /nfs/dbraw/zinc/03/10/73/353031073.db2.gz NGVDSVQOVJJJEM-NSHDSACASA-N 1 2 303.322 1.679 20 5 DDBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCn2cc[nH+]c2C1 ZINC000491902465 234330657 /nfs/dbraw/zinc/33/06/57/234330657.db2.gz CPTMOWKVSHFQCY-DUXPYHPUSA-N 1 2 316.292 1.986 20 5 DDBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nnc2n1CCC2 ZINC000085900052 353738138 /nfs/dbraw/zinc/73/81/38/353738138.db2.gz ADFBTEKHMNWEHA-UHFFFAOYSA-N 1 2 317.349 1.643 20 5 DDBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nnc2n1CCC2 ZINC000085900052 353738141 /nfs/dbraw/zinc/73/81/41/353738141.db2.gz ADFBTEKHMNWEHA-UHFFFAOYSA-N 1 2 317.349 1.643 20 5 DDBDLO COC(=O)Cn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000090707907 353797909 /nfs/dbraw/zinc/79/79/09/353797909.db2.gz UHXKYQQYRVANPR-JTQLQIEISA-N 1 2 319.321 1.210 20 5 DDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](CO)[C@H](O)C3)c2c1 ZINC000579327336 422746792 /nfs/dbraw/zinc/74/67/92/422746792.db2.gz CUDIHVHNQMAKND-SMDDNHRTSA-N 1 2 303.318 1.323 20 5 DDBDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000589683085 355011589 /nfs/dbraw/zinc/01/15/89/355011589.db2.gz LHIHXIFQNRYRJS-UHFFFAOYSA-N 1 2 324.356 1.253 20 5 DDBDLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590762129 355170223 /nfs/dbraw/zinc/17/02/23/355170223.db2.gz DTFRKXLSMNMFSW-PRHODGIISA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590762129 355170224 /nfs/dbraw/zinc/17/02/24/355170224.db2.gz DTFRKXLSMNMFSW-PRHODGIISA-N 1 2 313.741 1.642 20 5 DDBDLO Cc1ccc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595383941 356473733 /nfs/dbraw/zinc/47/37/33/356473733.db2.gz RKXLDQCQFOLTGN-SNVBAGLBSA-N 1 2 324.362 1.676 20 5 DDBDLO CCN1OC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000595519742 356531105 /nfs/dbraw/zinc/53/11/05/356531105.db2.gz CAMPSBIJLARDMI-DZGCQCFKSA-N 1 2 319.361 1.937 20 5 DDBDLO CCN1OC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000595519742 356531111 /nfs/dbraw/zinc/53/11/11/356531111.db2.gz CAMPSBIJLARDMI-DZGCQCFKSA-N 1 2 319.361 1.937 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000595523608 356532955 /nfs/dbraw/zinc/53/29/55/356532955.db2.gz USJXHLYUOUVSIA-SNVBAGLBSA-N 1 2 311.342 1.127 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000595523608 356532959 /nfs/dbraw/zinc/53/29/59/356532959.db2.gz USJXHLYUOUVSIA-SNVBAGLBSA-N 1 2 311.342 1.127 20 5 DDBDLO O=[N+]([O-])c1cnccc1NCC1CC[NH+](CC(F)F)CC1 ZINC000596239487 356828973 /nfs/dbraw/zinc/82/89/73/356828973.db2.gz QNZRGARTQJQGIH-UHFFFAOYSA-N 1 2 300.309 1.801 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000597998761 357414595 /nfs/dbraw/zinc/41/45/95/357414595.db2.gz QMJXMWMNAGHPMY-VXGBXAGGSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000597998761 357414598 /nfs/dbraw/zinc/41/45/98/357414598.db2.gz QMJXMWMNAGHPMY-VXGBXAGGSA-N 1 2 307.350 1.434 20 5 DDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])nc1 ZINC000599129589 357824174 /nfs/dbraw/zinc/82/41/74/357824174.db2.gz APVJGHJEXPJXEP-HNNXBMFYSA-N 1 2 322.365 1.018 20 5 DDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])nc1 ZINC000599129589 357824178 /nfs/dbraw/zinc/82/41/78/357824178.db2.gz APVJGHJEXPJXEP-HNNXBMFYSA-N 1 2 322.365 1.018 20 5 DDBDLO CN1CC[N@H+](C)[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599042201 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Cn1cc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])n1 ZINC001170733774 770722417 /nfs/dbraw/zinc/72/24/17/770722417.db2.gz UYXSSTNWMSCKQT-CQSZACIVSA-N 1 2 306.322 1.031 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173224701 777059343 /nfs/dbraw/zinc/05/93/43/777059343.db2.gz GLZDSCWKDKQHKZ-FZMZJTMJSA-N 1 2 308.334 1.400 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173224701 777059349 /nfs/dbraw/zinc/05/93/49/777059349.db2.gz GLZDSCWKDKQHKZ-FZMZJTMJSA-N 1 2 308.334 1.400 20 5 DDBDLO C[C@@H](O)CNc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)nc[nH+]1 ZINC001118003766 780983666 /nfs/dbraw/zinc/98/36/66/780983666.db2.gz FTJBVIIBEVMNEX-SNVBAGLBSA-N 1 2 315.333 1.698 20 5 DDBDLO C[C@@H](O)CNc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)[nH+]cn1 ZINC001118003766 780983669 /nfs/dbraw/zinc/98/36/69/780983669.db2.gz FTJBVIIBEVMNEX-SNVBAGLBSA-N 1 2 315.333 1.698 20 5 DDBDLO CN1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OC1=O ZINC001324207032 867141056 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320.349 1.052 20 5 DDBDLO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000263904294 408309325 /nfs/dbraw/zinc/30/93/25/408309325.db2.gz FOUYJCPTXRWTMZ-NSHDSACASA-N 1 2 320.349 1.052 20 5 DDBDLO CCCC[N@H+](CC(N)=O)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184246657 408579456 /nfs/dbraw/zinc/57/94/56/408579456.db2.gz CVIRQUGHABSPSM-UHFFFAOYSA-N 1 2 313.329 1.830 20 5 DDBDLO CCCC[N@@H+](CC(N)=O)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184246657 408579461 /nfs/dbraw/zinc/57/94/61/408579461.db2.gz CVIRQUGHABSPSM-UHFFFAOYSA-N 1 2 313.329 1.830 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185129681 408765546 /nfs/dbraw/zinc/76/55/46/408765546.db2.gz VOMXVESTSNBHNL-FVINQWEUSA-N 1 2 300.380 1.802 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185129681 408765550 /nfs/dbraw/zinc/76/55/50/408765550.db2.gz VOMXVESTSNBHNL-FVINQWEUSA-N 1 2 300.380 1.802 20 5 DDBDLO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000276553110 408881550 /nfs/dbraw/zinc/88/15/50/408881550.db2.gz FPYVPTRCTFNJJQ-ZDUSSCGKSA-N 1 2 313.361 1.555 20 5 DDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276258192 408827830 /nfs/dbraw/zinc/82/78/30/408827830.db2.gz APANSLTWIDYATL-UWVGGRQHSA-N 1 2 318.370 1.987 20 5 DDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276258192 408827831 /nfs/dbraw/zinc/82/78/31/408827831.db2.gz APANSLTWIDYATL-UWVGGRQHSA-N 1 2 318.370 1.987 20 5 DDBDLO C[C@H](CO)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000285650817 408835461 /nfs/dbraw/zinc/83/54/61/408835461.db2.gz GXTDDVJFPUPKGL-SNVBAGLBSA-N 1 2 304.306 1.233 20 5 DDBDLO COCCN1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190771212 163158511 /nfs/dbraw/zinc/15/85/11/163158511.db2.gz OSVDXAKRQYPMSN-ZDUSSCGKSA-N 1 2 321.377 1.837 20 5 DDBDLO COCCN1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190771212 163158514 /nfs/dbraw/zinc/15/85/14/163158514.db2.gz OSVDXAKRQYPMSN-ZDUSSCGKSA-N 1 2 321.377 1.837 20 5 DDBDLO CCN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380129 408974166 /nfs/dbraw/zinc/97/41/66/408974166.db2.gz GQCPNUWKIGOSSU-DZGCQCFKSA-N 1 2 323.393 1.361 20 5 DDBDLO CCN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380129 408974167 /nfs/dbraw/zinc/97/41/67/408974167.db2.gz GQCPNUWKIGOSSU-DZGCQCFKSA-N 1 2 323.393 1.361 20 5 DDBDLO CC(=O)c1cc(N[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000283465480 409160761 /nfs/dbraw/zinc/16/07/61/409160761.db2.gz FUJSCHRMEKOIQF-LLVKDONJSA-N 1 2 307.350 1.930 20 5 DDBDLO COC[C@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000294045120 409230820 /nfs/dbraw/zinc/23/08/20/409230820.db2.gz YRMCVTBNLFWHNA-GFCCVEGCSA-N 1 2 316.317 1.641 20 5 DDBDLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000294057847 409231974 /nfs/dbraw/zinc/23/19/74/409231974.db2.gz JXANCFLZBHABKX-CYBMUJFWSA-N 1 2 307.350 1.277 20 5 DDBDLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000294057847 409231977 /nfs/dbraw/zinc/23/19/77/409231977.db2.gz JXANCFLZBHABKX-CYBMUJFWSA-N 1 2 307.350 1.277 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000284161226 409288072 /nfs/dbraw/zinc/28/80/72/409288072.db2.gz QXAJKLORWTZFRF-ZIAGYGMSSA-N 1 2 323.324 1.279 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000284161226 409288075 /nfs/dbraw/zinc/28/80/75/409288075.db2.gz QXAJKLORWTZFRF-ZIAGYGMSSA-N 1 2 323.324 1.279 20 5 DDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408082689 164221696 /nfs/dbraw/zinc/22/16/96/164221696.db2.gz HBMQDLVNXWHTPD-WDEREUQCSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408082689 164221697 /nfs/dbraw/zinc/22/16/97/164221697.db2.gz HBMQDLVNXWHTPD-WDEREUQCSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408218245 164264031 /nfs/dbraw/zinc/26/40/31/164264031.db2.gz HMSYDVCKSKHGCK-WDEREUQCSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408218245 164264033 /nfs/dbraw/zinc/26/40/33/164264033.db2.gz HMSYDVCKSKHGCK-WDEREUQCSA-N 1 2 313.379 1.308 20 5 DDBDLO COc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000346152580 409826507 /nfs/dbraw/zinc/82/65/07/409826507.db2.gz RACVGGFFUCRXNB-OAHLLOKOSA-N 1 2 308.334 1.595 20 5 DDBDLO COc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000346152580 409826513 /nfs/dbraw/zinc/82/65/13/409826513.db2.gz RACVGGFFUCRXNB-OAHLLOKOSA-N 1 2 308.334 1.595 20 5 DDBDLO CNC(=O)c1ccc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000313457830 409812736 /nfs/dbraw/zinc/81/27/36/409812736.db2.gz GZAQUKUVBRFASJ-UHFFFAOYSA-N 1 2 303.322 1.343 20 5 DDBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000338965883 410052785 /nfs/dbraw/zinc/05/27/85/410052785.db2.gz GRVYTTORTGXYEU-ZDUSSCGKSA-N 1 2 321.333 1.270 20 5 DDBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000338965883 410052788 /nfs/dbraw/zinc/05/27/88/410052788.db2.gz GRVYTTORTGXYEU-ZDUSSCGKSA-N 1 2 321.333 1.270 20 5 DDBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc([N+](=O)[O-])c[nH]1 ZINC000343364034 410393880 /nfs/dbraw/zinc/39/38/80/410393880.db2.gz COJBWWKMOWFWRR-UHFFFAOYSA-N 1 2 312.289 1.815 20 5 DDBDLO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000355540977 410571494 /nfs/dbraw/zinc/57/14/94/410571494.db2.gz AAHJCNBXOYMXRR-NSHDSACASA-N 1 2 319.317 1.926 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000299241475 410579743 /nfs/dbraw/zinc/57/97/43/410579743.db2.gz XCDSXWFCQLBTRK-GFCCVEGCSA-N 1 2 318.333 1.765 20 5 DDBDLO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343633407 410582745 /nfs/dbraw/zinc/58/27/45/410582745.db2.gz FETLECKRWQKSDF-LLVKDONJSA-N 1 2 307.350 1.905 20 5 DDBDLO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343633407 410582751 /nfs/dbraw/zinc/58/27/51/410582751.db2.gz FETLECKRWQKSDF-LLVKDONJSA-N 1 2 307.350 1.905 20 5 DDBDLO COc1c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355658736 410626944 /nfs/dbraw/zinc/62/69/44/410626944.db2.gz MHVHTCZZZLFKHS-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355658736 410626947 /nfs/dbraw/zinc/62/69/47/410626947.db2.gz MHVHTCZZZLFKHS-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000347638654 410643520 /nfs/dbraw/zinc/64/35/20/410643520.db2.gz CQCDTDRSWHZEMN-AWEZNQCLSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000347638654 410643527 /nfs/dbraw/zinc/64/35/27/410643527.db2.gz CQCDTDRSWHZEMN-AWEZNQCLSA-N 1 2 321.377 1.744 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000337423278 410772638 /nfs/dbraw/zinc/77/26/38/410772638.db2.gz VMUIHSCBZNHRIC-WDEREUQCSA-N 1 2 304.297 1.272 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000337423278 410772645 /nfs/dbraw/zinc/77/26/45/410772645.db2.gz VMUIHSCBZNHRIC-WDEREUQCSA-N 1 2 304.297 1.272 20 5 DDBDLO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cn(C)nn1 ZINC000359626396 410780819 /nfs/dbraw/zinc/78/08/19/410780819.db2.gz AEVCYXJZYWQJRA-UHFFFAOYSA-N 1 2 305.338 1.624 20 5 DDBDLO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cn(C)nn1 ZINC000359626396 410780829 /nfs/dbraw/zinc/78/08/29/410780829.db2.gz AEVCYXJZYWQJRA-UHFFFAOYSA-N 1 2 305.338 1.624 20 5 DDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000374028093 418484985 /nfs/dbraw/zinc/48/49/85/418484985.db2.gz WNPSDNVFNPYLBP-NSHDSACASA-N 1 2 323.349 1.653 20 5 DDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000374028093 418484988 /nfs/dbraw/zinc/48/49/88/418484988.db2.gz WNPSDNVFNPYLBP-NSHDSACASA-N 1 2 323.349 1.653 20 5 DDBDLO CC(C)OC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000366731498 418510271 /nfs/dbraw/zinc/51/02/71/418510271.db2.gz GEAWFFZWIWURNB-HOTGVXAUSA-N 1 2 324.377 1.754 20 5 DDBDLO CC(C)OC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000366731498 418510273 /nfs/dbraw/zinc/51/02/73/418510273.db2.gz GEAWFFZWIWURNB-HOTGVXAUSA-N 1 2 324.377 1.754 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000192814989 418525946 /nfs/dbraw/zinc/52/59/46/418525946.db2.gz DJLXPOFGYTVHQV-UHFFFAOYSA-N 1 2 304.306 1.576 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000192814989 418525951 /nfs/dbraw/zinc/52/59/51/418525951.db2.gz DJLXPOFGYTVHQV-UHFFFAOYSA-N 1 2 304.306 1.576 20 5 DDBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000375508447 418651030 /nfs/dbraw/zinc/65/10/30/418651030.db2.gz IZJQODLTVPGNEF-LLVKDONJSA-N 1 2 312.329 1.943 20 5 DDBDLO Nc1ncccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297561899 227303383 /nfs/dbraw/zinc/30/33/83/227303383.db2.gz BDEOHUTVPAYONE-UHFFFAOYSA-N 1 2 314.349 1.289 20 5 DDBDLO COc1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000373234375 418932925 /nfs/dbraw/zinc/93/29/25/418932925.db2.gz VXAUTQMRQXVZOA-LBPRGKRZSA-N 1 2 320.349 1.155 20 5 DDBDLO COc1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000373234375 418932926 /nfs/dbraw/zinc/93/29/26/418932926.db2.gz VXAUTQMRQXVZOA-LBPRGKRZSA-N 1 2 320.349 1.155 20 5 DDBDLO CCN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1=O ZINC000425924318 419367757 /nfs/dbraw/zinc/36/77/57/419367757.db2.gz HBPXCJXISVNZFA-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CCN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1=O ZINC000425924318 419367762 /nfs/dbraw/zinc/36/77/62/419367762.db2.gz HBPXCJXISVNZFA-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420988816 419421352 /nfs/dbraw/zinc/42/13/52/419421352.db2.gz QWKAQKVDGZLIOV-GFCCVEGCSA-N 1 2 320.349 1.052 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420988816 419421358 /nfs/dbraw/zinc/42/13/58/419421358.db2.gz QWKAQKVDGZLIOV-GFCCVEGCSA-N 1 2 320.349 1.052 20 5 DDBDLO CC[C@H]1C[N@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CCO1 ZINC000420605741 420329389 /nfs/dbraw/zinc/32/93/89/420329389.db2.gz BFJUYSPUWYUVIS-NSHDSACASA-N 1 2 322.365 1.216 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CCO1 ZINC000420605741 420329392 /nfs/dbraw/zinc/32/93/92/420329392.db2.gz BFJUYSPUWYUVIS-NSHDSACASA-N 1 2 322.365 1.216 20 5 DDBDLO Cn1cc([C@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000444672316 230118024 /nfs/dbraw/zinc/11/80/24/230118024.db2.gz GDHANFJSKMAORA-ZDUSSCGKSA-N 1 2 316.321 1.028 20 5 DDBDLO Cc1sc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457130032 420625922 /nfs/dbraw/zinc/62/59/22/420625922.db2.gz QYAAMLFZNCLHHK-VIFPVBQESA-N 1 2 313.379 1.103 20 5 DDBDLO Cc1sc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457130032 420625924 /nfs/dbraw/zinc/62/59/24/420625924.db2.gz QYAAMLFZNCLHHK-VIFPVBQESA-N 1 2 313.379 1.103 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449648392 421044551 /nfs/dbraw/zinc/04/45/51/421044551.db2.gz GLOLUAYAKKEWRS-SNVBAGLBSA-N 1 2 313.304 1.878 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000523713342 421247938 /nfs/dbraw/zinc/24/79/38/421247938.db2.gz IVJGILHGRAGVHD-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000523713342 421247942 /nfs/dbraw/zinc/24/79/42/421247942.db2.gz IVJGILHGRAGVHD-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1[nH+]c2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)ccc2n1C ZINC000525217320 421282206 /nfs/dbraw/zinc/28/22/06/421282206.db2.gz ACGNHQVCNOECBA-UHFFFAOYSA-N 1 2 315.293 1.020 20 5 DDBDLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000515115378 421479483 /nfs/dbraw/zinc/47/94/83/421479483.db2.gz ZBACSFLREWUQDJ-GFCCVEGCSA-N 1 2 307.350 1.147 20 5 DDBDLO C[C@@H]1C[N@H+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058983 421566732 /nfs/dbraw/zinc/56/67/32/421566732.db2.gz VPGLWPNXDQXJBS-CYBMUJFWSA-N 1 2 305.378 1.674 20 5 DDBDLO C[C@@H]1C[N@@H+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058983 421566735 /nfs/dbraw/zinc/56/67/35/421566735.db2.gz VPGLWPNXDQXJBS-CYBMUJFWSA-N 1 2 305.378 1.674 20 5 DDBDLO C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341635462 271148927 /nfs/dbraw/zinc/14/89/27/271148927.db2.gz RDQFXAQHJGTQIC-GHMZBOCLSA-N 1 2 318.333 1.670 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067305 276041039 /nfs/dbraw/zinc/04/10/39/276041039.db2.gz BNZRVIHDUNNBKK-NXEZZACHSA-N 1 2 309.370 1.606 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067305 276041041 /nfs/dbraw/zinc/04/10/41/276041041.db2.gz BNZRVIHDUNNBKK-NXEZZACHSA-N 1 2 309.370 1.606 20 5 DDBDLO C[C@@]1(C(N)=O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413274158 279157009 /nfs/dbraw/zinc/15/70/09/279157009.db2.gz VVZSUBPHLNOSJD-OAHLLOKOSA-N 1 2 300.318 1.845 20 5 DDBDLO CC[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270300064 279373151 /nfs/dbraw/zinc/37/31/51/279373151.db2.gz AJQWPOMMPNWKLC-UHFFFAOYSA-N 1 2 315.171 1.894 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000494707236 280372404 /nfs/dbraw/zinc/37/24/04/280372404.db2.gz JGLDPHULIYFLNU-NSHDSACASA-N 1 2 311.769 1.765 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000494707236 280372406 /nfs/dbraw/zinc/37/24/06/280372406.db2.gz JGLDPHULIYFLNU-NSHDSACASA-N 1 2 311.769 1.765 20 5 DDBDLO NC(=O)c1cccc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000439165897 295187591 /nfs/dbraw/zinc/18/75/91/295187591.db2.gz ILWHJCOULANMLL-UHFFFAOYSA-N 1 2 315.333 1.732 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452761598 295363157 /nfs/dbraw/zinc/36/31/57/295363157.db2.gz WUOSGWFDHCGLQZ-UHFFFAOYSA-N 1 2 301.306 1.962 20 5 DDBDLO O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354672221 298494802 /nfs/dbraw/zinc/49/48/02/298494802.db2.gz RORSRUNAKDPAAD-UHFFFAOYSA-N 1 2 305.313 1.779 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000365503394 300524754 /nfs/dbraw/zinc/52/47/54/300524754.db2.gz RQBSWXKHUNTBJY-CYBMUJFWSA-N 1 2 314.345 1.773 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CN(c2cc(F)ccc2[N+](=O)[O-])CCN1C ZINC000373684385 301715664 /nfs/dbraw/zinc/71/56/64/301715664.db2.gz UZVUHANEBGAHFH-CQSZACIVSA-N 1 2 319.340 1.961 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000515247835 302769992 /nfs/dbraw/zinc/76/99/92/302769992.db2.gz PNLFRSZXSALIOB-UHFFFAOYSA-N 1 2 324.362 1.158 20 5 DDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624603 303252184 /nfs/dbraw/zinc/25/21/84/303252184.db2.gz XWMJZECLUHXWNK-UHFFFAOYSA-N 1 2 301.306 1.381 20 5 DDBDLO CCn1cc[nH+]c1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000357612392 306898721 /nfs/dbraw/zinc/89/87/21/306898721.db2.gz ZZGSKFAKQCGOQN-UHFFFAOYSA-N 1 2 316.365 1.528 20 5 DDBDLO O=C(NCc1c[nH+]c2n1CCCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000367489818 307095209 /nfs/dbraw/zinc/09/52/09/307095209.db2.gz LWJIROZHZDBIRE-UHFFFAOYSA-N 1 2 316.317 1.763 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000374756416 307213579 /nfs/dbraw/zinc/21/35/79/307213579.db2.gz ZTIMBFCCEAXRAQ-LBPRGKRZSA-N 1 2 322.346 1.844 20 5 DDBDLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000516520742 307416858 /nfs/dbraw/zinc/41/68/58/307416858.db2.gz OTYHBGHVBANXST-NSHDSACASA-N 1 2 300.318 1.937 20 5 DDBDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576343629 308307789 /nfs/dbraw/zinc/30/77/89/308307789.db2.gz XONZNYJBAVOTER-VXGBXAGGSA-N 1 2 320.305 1.148 20 5 DDBDLO Cc1nc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000297418944 534448809 /nfs/dbraw/zinc/44/88/09/534448809.db2.gz HBEZPTXBGNPYFX-MFKMUULPSA-N 1 2 302.338 1.977 20 5 DDBDLO Cc1c[nH+]cn1C1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000331931230 534714533 /nfs/dbraw/zinc/71/45/33/534714533.db2.gz NXOOEPZMKMQWMT-UHFFFAOYSA-N 1 2 318.337 1.609 20 5 DDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000154428558 527394091 /nfs/dbraw/zinc/39/40/91/527394091.db2.gz YAUBCOUCGLINQN-AWEZNQCLSA-N 1 2 317.349 1.626 20 5 DDBDLO CNC(=O)c1ccc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000135984228 536429612 /nfs/dbraw/zinc/42/96/12/536429612.db2.gz XXOPBKBTQSYFQW-UHFFFAOYSA-N 1 2 315.333 1.568 20 5 DDBDLO CNc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c[nH+]1 ZINC000736885684 598499127 /nfs/dbraw/zinc/49/91/27/598499127.db2.gz AKDACBULTSEULL-UHFFFAOYSA-N 1 2 313.281 1.350 20 5 DDBDLO C[C@@H]1C[N@H+](CCOC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000800087528 700185742 /nfs/dbraw/zinc/18/57/42/700185742.db2.gz VJUOOEJEGKEZFG-GFCCVEGCSA-N 1 2 324.333 1.238 20 5 DDBDLO C[C@@H]1C[N@@H+](CCOC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000800087528 700185744 /nfs/dbraw/zinc/18/57/44/700185744.db2.gz VJUOOEJEGKEZFG-GFCCVEGCSA-N 1 2 324.333 1.238 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)Cc3ccccc32)n1 ZINC000779915473 698478827 /nfs/dbraw/zinc/47/88/27/698478827.db2.gz IKUNNZFFLITUJT-UHFFFAOYSA-N 1 2 315.333 1.421 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)n1 ZINC000779915473 698478830 /nfs/dbraw/zinc/47/88/30/698478830.db2.gz IKUNNZFFLITUJT-UHFFFAOYSA-N 1 2 315.333 1.421 20 5 DDBDLO Cc1c(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000726260289 699359490 /nfs/dbraw/zinc/35/94/90/699359490.db2.gz LZVDHAXOHYNAPS-NSHDSACASA-N 1 2 322.365 1.745 20 5 DDBDLO Cc1c(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000726260289 699359494 /nfs/dbraw/zinc/35/94/94/699359494.db2.gz LZVDHAXOHYNAPS-NSHDSACASA-N 1 2 322.365 1.745 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802230758 700383482 /nfs/dbraw/zinc/38/34/82/700383482.db2.gz OHDUFTVMVBRJSK-NSHDSACASA-N 1 2 312.297 1.804 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802230758 700383486 /nfs/dbraw/zinc/38/34/86/700383486.db2.gz OHDUFTVMVBRJSK-NSHDSACASA-N 1 2 312.297 1.804 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000769301575 701240195 /nfs/dbraw/zinc/24/01/95/701240195.db2.gz WCZNONCEPVPLCT-UHFFFAOYSA-N 1 2 308.334 1.885 20 5 DDBDLO COc1cc(OCC(=O)OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000771935891 701337459 /nfs/dbraw/zinc/33/74/59/701337459.db2.gz FOVPLASBIQSDMO-UHFFFAOYSA-N 1 2 321.289 1.422 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000805478206 701385011 /nfs/dbraw/zinc/38/50/11/701385011.db2.gz SREVJYMZTACCII-CQSZACIVSA-N 1 2 324.333 1.238 20 5 DDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000805478206 701385012 /nfs/dbraw/zinc/38/50/12/701385012.db2.gz SREVJYMZTACCII-CQSZACIVSA-N 1 2 324.333 1.238 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892582 706598767 /nfs/dbraw/zinc/59/87/67/706598767.db2.gz XYNNCIPSPLEFKG-PWSUYJOCSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892582 706598769 /nfs/dbraw/zinc/59/87/69/706598769.db2.gz XYNNCIPSPLEFKG-PWSUYJOCSA-N 1 2 312.297 1.090 20 5 DDBDLO O=C(/C=C/C[NH+]1CCOCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000866114477 706622797 /nfs/dbraw/zinc/62/27/97/706622797.db2.gz ZROKBGWUQVUFJC-ZZXKWVIFSA-N 1 2 319.361 1.142 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000811588878 702013680 /nfs/dbraw/zinc/01/36/80/702013680.db2.gz AZECLUBXBAMTGQ-UHFFFAOYSA-N 1 2 318.318 1.263 20 5 DDBDLO COC[C@H]1CC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848491382 703556763 /nfs/dbraw/zinc/55/67/63/703556763.db2.gz VCILRAJRWFFLQR-HUUCEWRRSA-N 1 2 319.361 1.589 20 5 DDBDLO COC[C@H]1CC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848491382 703556764 /nfs/dbraw/zinc/55/67/64/703556764.db2.gz VCILRAJRWFFLQR-HUUCEWRRSA-N 1 2 319.361 1.589 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000857977569 704653606 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DDBDLO CCOCC[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596115742 356777658 /nfs/dbraw/zinc/77/76/58/356777658.db2.gz WSXZGOPPFRKVEB-UHFFFAOYSA-N 1 2 314.773 1.802 20 5 DDBDLO Cc1ccnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596246850 356831274 /nfs/dbraw/zinc/83/12/74/356831274.db2.gz ILKZYCWKAIDGKM-CYBMUJFWSA-N 1 2 306.366 1.599 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597994604 357411045 /nfs/dbraw/zinc/41/10/45/357411045.db2.gz CCCTZHJXCZSHQE-VXGBXAGGSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597994604 357411047 /nfs/dbraw/zinc/41/10/47/357411047.db2.gz CCCTZHJXCZSHQE-VXGBXAGGSA-N 1 2 307.350 1.434 20 5 DDBDLO Cc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000598946200 357769796 /nfs/dbraw/zinc/76/97/96/357769796.db2.gz DWWCXPQAJBCTPS-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO O=[N+]([O-])c1c(N[C@@H]2CCS(=O)(=O)C2)ccc2c[nH+]ccc21 ZINC000599013090 357793574 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C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000600314155 358193062 /nfs/dbraw/zinc/19/30/62/358193062.db2.gz MAIIEHICNVBXKG-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCCC[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000600314155 358193066 /nfs/dbraw/zinc/19/30/66/358193066.db2.gz MAIIEHICNVBXKG-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO CO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000600774181 358312439 /nfs/dbraw/zinc/31/24/39/358312439.db2.gz WYAXGVOXUBJGDX-HAQNSBGRSA-N 1 2 316.317 1.688 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601041831 358391070 /nfs/dbraw/zinc/39/10/70/358391070.db2.gz QKWULRFHXBPAFP-SNVBAGLBSA-N 1 2 311.313 1.184 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601041831 358391072 /nfs/dbraw/zinc/39/10/72/358391072.db2.gz QKWULRFHXBPAFP-SNVBAGLBSA-N 1 2 311.313 1.184 20 5 DDBDLO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000601209870 358449161 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312.395 1.963 20 5 DDBDLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000609846470 360355522 /nfs/dbraw/zinc/35/55/22/360355522.db2.gz PFCLGMYKKVNOCN-GXSJLCMTSA-N 1 2 318.337 1.929 20 5 DDBDLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000609846470 360355526 /nfs/dbraw/zinc/35/55/26/360355526.db2.gz PFCLGMYKKVNOCN-GXSJLCMTSA-N 1 2 318.337 1.929 20 5 DDBDLO COCC1([N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000611178467 360650562 /nfs/dbraw/zinc/65/05/62/360650562.db2.gz IWJPZPIRIYOLAI-UHFFFAOYSA-N 1 2 323.349 1.653 20 5 DDBDLO COCC1([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000611178467 360650568 /nfs/dbraw/zinc/65/05/68/360650568.db2.gz IWJPZPIRIYOLAI-UHFFFAOYSA-N 1 2 323.349 1.653 20 5 DDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000611556034 360758797 /nfs/dbraw/zinc/75/87/97/360758797.db2.gz NERRVNVMFIHQKC-UHFFFAOYSA-N 1 2 315.285 1.599 20 5 DDBDLO CCC[C@H]1C[NH2+]CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 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C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277602213 408975429 /nfs/dbraw/zinc/97/54/29/408975429.db2.gz XPZAUOMWVFSTPS-HQHPYACNSA-N 1 2 312.391 1.329 20 5 DDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277602213 408975431 /nfs/dbraw/zinc/97/54/31/408975431.db2.gz XPZAUOMWVFSTPS-HQHPYACNSA-N 1 2 312.391 1.329 20 5 DDBDLO Cc1c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000292170476 408994167 /nfs/dbraw/zinc/99/41/67/408994167.db2.gz JXZFGHMRWMVUDM-GFCCVEGCSA-N 1 2 312.391 1.770 20 5 DDBDLO Cc1c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000292170476 408994170 /nfs/dbraw/zinc/99/41/70/408994170.db2.gz JXZFGHMRWMVUDM-GFCCVEGCSA-N 1 2 312.391 1.770 20 5 DDBDLO CCC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293234352 409072943 /nfs/dbraw/zinc/07/29/43/409072943.db2.gz SJJFSPOTUDDYCJ-UHFFFAOYSA-N 1 2 319.361 1.722 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280243518 409276929 /nfs/dbraw/zinc/27/69/29/409276929.db2.gz BRLAZSODNKLGMF-LRDDRELGSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280243518 409276933 /nfs/dbraw/zinc/27/69/33/409276933.db2.gz BRLAZSODNKLGMF-LRDDRELGSA-N 1 2 322.361 1.983 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285575535 409494048 /nfs/dbraw/zinc/49/40/48/409494048.db2.gz ANSPCTMCLRATIP-DOMZBBRYSA-N 1 2 319.361 1.530 20 5 DDBDLO Cn1cnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000331689313 409770630 /nfs/dbraw/zinc/77/06/30/409770630.db2.gz YGEJVFNNUDJQGG-WDEREUQCSA-N 1 2 305.342 1.193 20 5 DDBDLO CNc1c(C(=O)NCCc2cn(C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000313243176 409804040 /nfs/dbraw/zinc/80/40/40/409804040.db2.gz VOQDBXUMDQHQOU-UHFFFAOYSA-N 1 2 303.322 1.343 20 5 DDBDLO CC(C)(C)c1nnc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]1 ZINC000332023601 409810144 /nfs/dbraw/zinc/81/01/44/409810144.db2.gz SVEAPXNXOUJIQB-UHFFFAOYSA-N 1 2 316.365 1.964 20 5 DDBDLO CC(C)(C)c1nnc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]1 ZINC000332023601 409810153 /nfs/dbraw/zinc/81/01/53/409810153.db2.gz SVEAPXNXOUJIQB-UHFFFAOYSA-N 1 2 316.365 1.964 20 5 DDBDLO O=C1CC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN12 ZINC000346484052 409983614 /nfs/dbraw/zinc/98/36/14/409983614.db2.gz LESFJIGPBYVVQQ-LBPRGKRZSA-N 1 2 305.334 1.280 20 5 DDBDLO O=C1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN12 ZINC000346484052 409983620 /nfs/dbraw/zinc/98/36/20/409983620.db2.gz LESFJIGPBYVVQQ-LBPRGKRZSA-N 1 2 305.334 1.280 20 5 DDBDLO C[N@@H+]1CCO[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000351190093 410044890 /nfs/dbraw/zinc/04/48/90/410044890.db2.gz NKZUCVHNSINSLZ-GFCCVEGCSA-N 1 2 304.306 1.572 20 5 DDBDLO C[N@H+]1CCO[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000351190093 410044896 /nfs/dbraw/zinc/04/48/96/410044896.db2.gz NKZUCVHNSINSLZ-GFCCVEGCSA-N 1 2 304.306 1.572 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000343293275 410322174 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/nfs/dbraw/zinc/99/18/76/410991876.db2.gz GKYSQZRAGICHRZ-LBPRGKRZSA-N 1 2 307.350 1.649 20 5 DDBDLO COC(=O)c1cc(C(=O)NCCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000171755155 221758654 /nfs/dbraw/zinc/75/86/54/221758654.db2.gz DUNGYPOYOOAKFX-UHFFFAOYSA-N 1 2 318.289 1.077 20 5 DDBDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(N)c([N+](=O)[O-])c1 ZINC000291102812 222139458 /nfs/dbraw/zinc/13/94/58/222139458.db2.gz LVIKQCIUKYRYOE-UHFFFAOYSA-N 1 2 301.306 1.338 20 5 DDBDLO Cc1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000361258806 418613457 /nfs/dbraw/zinc/61/34/57/418613457.db2.gz ARBBAHYZHLWGBI-UHFFFAOYSA-N 1 2 302.338 1.344 20 5 DDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408083996 418786242 /nfs/dbraw/zinc/78/62/42/418786242.db2.gz LZHCOXOCANRMMW-GHMZBOCLSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408083996 418786244 /nfs/dbraw/zinc/78/62/44/418786244.db2.gz LZHCOXOCANRMMW-GHMZBOCLSA-N 1 2 313.379 1.308 20 5 DDBDLO Nc1[nH+]cnc(N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365459191 418863701 /nfs/dbraw/zinc/86/37/01/418863701.db2.gz GEEIKHSSBDITSU-MRVPVSSYSA-N 1 2 323.744 1.658 20 5 DDBDLO Nc1nc[nH+]c(N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365459191 418863703 /nfs/dbraw/zinc/86/37/03/418863703.db2.gz GEEIKHSSBDITSU-MRVPVSSYSA-N 1 2 323.744 1.658 20 5 DDBDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000365837092 418914634 /nfs/dbraw/zinc/91/46/34/418914634.db2.gz JLFHZPANUACPSG-AWEZNQCLSA-N 1 2 310.350 1.841 20 5 DDBDLO COCC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000365837092 418914635 /nfs/dbraw/zinc/91/46/35/418914635.db2.gz JLFHZPANUACPSG-AWEZNQCLSA-N 1 2 310.350 1.841 20 5 DDBDLO COC1([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000421027541 419455770 /nfs/dbraw/zinc/45/57/70/419455770.db2.gz GOVOBTPYMVIALA-NSHDSACASA-N 1 2 310.350 1.974 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427997932 419786657 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DDBDLO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000457046315 420595824 /nfs/dbraw/zinc/59/58/24/420595824.db2.gz BRJDSASGUXGRRF-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000457046315 420595828 /nfs/dbraw/zinc/59/58/28/420595828.db2.gz BRJDSASGUXGRRF-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCSC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000492579900 420596335 /nfs/dbraw/zinc/59/63/35/420596335.db2.gz CFGPHUOKUGJKBN-GFCCVEGCSA-N 1 2 312.391 1.903 20 5 DDBDLO CCOc1cc(C[N@H+]2CCSC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000492579900 420596339 /nfs/dbraw/zinc/59/63/39/420596339.db2.gz CFGPHUOKUGJKBN-GFCCVEGCSA-N 1 2 312.391 1.903 20 5 DDBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCNC1=O ZINC000440951312 420621800 /nfs/dbraw/zinc/62/18/00/420621800.db2.gz DEZZWAHPCSOFFE-GFCCVEGCSA-N 1 2 303.322 1.182 20 5 DDBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCNC1=O ZINC000440951312 420621805 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696926939 /nfs/dbraw/zinc/92/69/39/696926939.db2.gz MVUZDVJKLZFERU-LLVKDONJSA-N 1 2 316.741 1.320 20 5 DDBDLO C[C@]1(O)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000748834647 700137845 /nfs/dbraw/zinc/13/78/45/700137845.db2.gz YPUSSOWNCVBLHO-ZDUSSCGKSA-N 1 2 313.741 1.643 20 5 DDBDLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000748834647 700137847 /nfs/dbraw/zinc/13/78/47/700137847.db2.gz YPUSSOWNCVBLHO-ZDUSSCGKSA-N 1 2 313.741 1.643 20 5 DDBDLO CC[N@H+](C[C@@H]1CCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000194010364 697688364 /nfs/dbraw/zinc/68/83/64/697688364.db2.gz LUAVODOUWYXADC-LBPRGKRZSA-N 1 2 321.333 1.961 20 5 DDBDLO CC[N@@H+](C[C@@H]1CCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000194010364 697688367 /nfs/dbraw/zinc/68/83/67/697688367.db2.gz LUAVODOUWYXADC-LBPRGKRZSA-N 1 2 321.333 1.961 20 5 DDBDLO O=C1OCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN12 ZINC000776599237 698125555 /nfs/dbraw/zinc/12/55/55/698125555.db2.gz YUNFHUQYTOEGMF-ZIAGYGMSSA-N 1 2 321.333 1.155 20 5 DDBDLO O=C1OCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN12 ZINC000776599237 698125558 /nfs/dbraw/zinc/12/55/58/698125558.db2.gz YUNFHUQYTOEGMF-ZIAGYGMSSA-N 1 2 321.333 1.155 20 5 DDBDLO Cc1cc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc[nH+]1 ZINC000778271883 698255270 /nfs/dbraw/zinc/25/52/70/698255270.db2.gz JYSSPGXRVXGSKQ-UHFFFAOYSA-N 1 2 315.314 1.977 20 5 DDBDLO C[NH+](C)[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000780094634 698487662 /nfs/dbraw/zinc/48/76/62/698487662.db2.gz QCKIVKFDWYAAHW-CQSZACIVSA-N 1 2 318.333 1.637 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782569886 698739517 /nfs/dbraw/zinc/73/95/17/698739517.db2.gz DMRAANDQJHYQRY-LSDHHAIUSA-N 1 2 321.377 1.475 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782569886 698739519 /nfs/dbraw/zinc/73/95/19/698739519.db2.gz DMRAANDQJHYQRY-LSDHHAIUSA-N 1 2 321.377 1.475 20 5 DDBDLO 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CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000805472972 701384416 /nfs/dbraw/zinc/38/44/16/701384416.db2.gz QAVGSDWJJIVBEB-CQSZACIVSA-N 1 2 324.333 1.367 20 5 DDBDLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533247 701727543 /nfs/dbraw/zinc/72/75/43/701727543.db2.gz QOKSYPRJRSERCJ-WPRPVWTQSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533247 701727550 /nfs/dbraw/zinc/72/75/50/701727550.db2.gz QOKSYPRJRSERCJ-WPRPVWTQSA-N 1 2 313.741 1.642 20 5 DDBDLO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000817278440 702324553 /nfs/dbraw/zinc/32/45/53/702324553.db2.gz BDPZALRSJGOPLX-ZIAGYGMSSA-N 1 2 310.350 1.100 20 5 DDBDLO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000817278440 702324559 /nfs/dbraw/zinc/32/45/59/702324559.db2.gz BDPZALRSJGOPLX-ZIAGYGMSSA-N 1 2 310.350 1.100 20 5 DDBDLO CC(C)(CCC(=O)OCC1CN(c2cccc[nH+]2)C1)[N+](=O)[O-] ZINC000842884325 702786959 /nfs/dbraw/zinc/78/69/59/702786959.db2.gz ORAQBSOOLBDCNP-UHFFFAOYSA-N 1 2 307.350 1.897 20 5 DDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1c[nH+]cn1C ZINC000843851954 702933629 /nfs/dbraw/zinc/93/36/29/702933629.db2.gz PNKDKTLMYNJYOI-UHFFFAOYSA-N 1 2 306.297 1.748 20 5 DDBDLO Cc1noc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000851973853 703894808 /nfs/dbraw/zinc/89/48/08/703894808.db2.gz LNKUCUZHNPTFGV-CYBMUJFWSA-N 1 2 321.337 1.560 20 5 DDBDLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819409234 704121940 /nfs/dbraw/zinc/12/19/40/704121940.db2.gz PRZHYEUDMDSMNO-AWEZNQCLSA-N 1 2 319.365 1.639 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000819998987 704200056 /nfs/dbraw/zinc/20/00/56/704200056.db2.gz MCSBNDGSJRIWBQ-CYBMUJFWSA-N 1 2 309.322 1.263 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000819998987 704200058 /nfs/dbraw/zinc/20/00/58/704200058.db2.gz MCSBNDGSJRIWBQ-CYBMUJFWSA-N 1 2 309.322 1.263 20 5 DDBDLO COC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853490765 704248688 /nfs/dbraw/zinc/24/86/88/704248688.db2.gz ZQGVXLAZKNHFKR-UHFFFAOYSA-N 1 2 317.349 1.922 20 5 DDBDLO Cc1nn(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000853594628 704280203 /nfs/dbraw/zinc/28/02/03/704280203.db2.gz JMWSVGRAXXWNRR-LBPRGKRZSA-N 1 2 307.354 1.002 20 5 DDBDLO Cc1nn(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000853594628 704280205 /nfs/dbraw/zinc/28/02/05/704280205.db2.gz JMWSVGRAXXWNRR-LBPRGKRZSA-N 1 2 307.354 1.002 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2C)c(C)c1[N+](=O)[O-] ZINC000856740237 704536492 /nfs/dbraw/zinc/53/64/92/704536492.db2.gz WRSKVRQIZZKBTG-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000857925200 704643652 /nfs/dbraw/zinc/64/36/52/704643652.db2.gz INEZAMMXRZOKKB-GZBFAFLISA-N 1 2 303.362 1.561 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826709441 705853694 /nfs/dbraw/zinc/85/36/94/705853694.db2.gz LNQPQOLIQSTZLI-LBPRGKRZSA-N 1 2 315.333 1.245 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826709441 705853697 /nfs/dbraw/zinc/85/36/97/705853697.db2.gz LNQPQOLIQSTZLI-LBPRGKRZSA-N 1 2 315.333 1.245 20 5 DDBDLO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@]2(C)C1 ZINC000913280934 713190170 /nfs/dbraw/zinc/19/01/70/713190170.db2.gz INWRSWUWJKFRSC-HZPDHXFCSA-N 1 2 319.361 1.714 20 5 DDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000895804965 711611066 /nfs/dbraw/zinc/61/10/66/711611066.db2.gz XNXJKMBJCNFNFQ-LBPRGKRZSA-N 1 2 319.365 1.765 20 5 DDBDLO CC1(C)[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CS1(=O)=O ZINC000895986153 711660788 /nfs/dbraw/zinc/66/07/88/711660788.db2.gz ROGRDJZVMWGEEC-NSHDSACASA-N 1 2 318.782 1.913 20 5 DDBDLO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(Cl)cc1F ZINC000905383947 712023043 /nfs/dbraw/zinc/02/30/43/712023043.db2.gz KHDCPBBOMJYEEP-SNVBAGLBSA-N 1 2 301.705 1.451 20 5 DDBDLO C[C@H]1COC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000928890878 713505429 /nfs/dbraw/zinc/50/54/29/713505429.db2.gz QGRAHYJCFFOCTO-CMPLNLGQSA-N 1 2 316.317 1.545 20 5 DDBDLO O=[N+]([O-])CCN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000929627563 713654247 /nfs/dbraw/zinc/65/42/47/713654247.db2.gz YPCUSLUUVLUNTJ-CQSZACIVSA-N 1 2 313.785 1.268 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCn2cccc2C1 ZINC000932525109 714355294 /nfs/dbraw/zinc/35/52/94/714355294.db2.gz CMAAKZGZWVHKIG-CQSZACIVSA-N 1 2 317.345 1.652 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCn2cccc2C1 ZINC000932525109 714355296 /nfs/dbraw/zinc/35/52/96/714355296.db2.gz CMAAKZGZWVHKIG-CQSZACIVSA-N 1 2 317.345 1.652 20 5 DDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001042704883 764373062 /nfs/dbraw/zinc/37/30/62/764373062.db2.gz ADSJPUUHJBZUGQ-HUUCEWRRSA-N 1 2 321.352 1.464 20 5 DDBDLO Cc1cnc(NCCNC(=O)CCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001094024677 775349450 /nfs/dbraw/zinc/34/94/50/775349450.db2.gz RCNBUIUWRMDAOH-UHFFFAOYSA-N 1 2 318.337 1.113 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001094225204 775593367 /nfs/dbraw/zinc/59/33/67/775593367.db2.gz QEVBUHUVFSITJL-UHFFFAOYSA-N 1 2 322.300 1.013 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001094225204 775593376 /nfs/dbraw/zinc/59/33/76/775593376.db2.gz QEVBUHUVFSITJL-UHFFFAOYSA-N 1 2 322.300 1.013 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001155195634 861823756 /nfs/dbraw/zinc/82/37/56/861823756.db2.gz BEYIFRKOKHLVMD-GFCCVEGCSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCO[C@H](CNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001155195634 861823774 /nfs/dbraw/zinc/82/37/74/861823774.db2.gz BEYIFRKOKHLVMD-GFCCVEGCSA-N 1 2 302.334 1.886 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3c(cccc3[N+](=O)[O-])n2)C[NH2+]1 ZINC001156242203 862855255 /nfs/dbraw/zinc/85/52/55/862855255.db2.gz DCWLQZNXHWVGGL-CABZTGNLSA-N 1 2 316.317 1.458 20 5 DDBDLO O=C(Nc1ncccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124699356 859784908 /nfs/dbraw/zinc/78/49/08/859784908.db2.gz FSOYUFAYVOOYNV-UHFFFAOYSA-N 1 2 310.273 1.823 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[NH2+]1 ZINC001158254992 864516134 /nfs/dbraw/zinc/51/61/34/864516134.db2.gz MTLCSJFFSLEWFL-PWSUYJOCSA-N 1 2 316.317 1.458 20 5 DDBDLO CCOC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162689807 867739568 /nfs/dbraw/zinc/73/95/68/867739568.db2.gz PIYUEHMYFOEATF-LBPRGKRZSA-N 1 2 323.349 1.514 20 5 DDBDLO CCOC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162689807 867739573 /nfs/dbraw/zinc/73/95/73/867739573.db2.gz PIYUEHMYFOEATF-LBPRGKRZSA-N 1 2 323.349 1.514 20 5 DDBDLO COc1ccc(NC(=O)c2cc(C[NH+](C)C)on2)c([N+](=O)[O-])c1 ZINC001336240687 868811023 /nfs/dbraw/zinc/81/10/23/868811023.db2.gz PABWIMCTORYJTG-UHFFFAOYSA-N 1 2 320.305 1.905 20 5 DDBDLO Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(N)c1[N+](=O)[O-] ZINC001304500325 871218775 /nfs/dbraw/zinc/21/87/75/871218775.db2.gz KUKGAJZKYYRBHA-JTQLQIEISA-N 1 2 315.333 1.883 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC001306919324 871380279 /nfs/dbraw/zinc/38/02/79/871380279.db2.gz MIXQBDMQWVVBPA-UHFFFAOYSA-N 1 2 307.379 1.712 20 5 DDBDLO Cc1cnc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001308000962 871460683 /nfs/dbraw/zinc/46/06/83/871460683.db2.gz YWOWSKVKPVXZGU-HNNXBMFYSA-N 1 2 302.334 1.691 20 5 DDBDLO Cc1cnc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001308000963 871461795 /nfs/dbraw/zinc/46/17/95/871461795.db2.gz YWOWSKVKPVXZGU-OAHLLOKOSA-N 1 2 302.334 1.691 20 5 DDBDLO C[C@H](C(=O)NCCc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC001347735266 874261357 /nfs/dbraw/zinc/26/13/57/874261357.db2.gz HTOJXUAPPBPMDE-NSHDSACASA-N 1 2 302.334 1.791 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001349649885 875282516 /nfs/dbraw/zinc/28/25/16/875282516.db2.gz UVEYVJBIHPHRHR-UHFFFAOYSA-N 1 2 319.277 1.209 20 5 DDBDLO Cc1cn2cc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])ccc2[nH+]1 ZINC001358362480 880411916 /nfs/dbraw/zinc/41/19/16/880411916.db2.gz IMFNBSLEZDCYBQ-UHFFFAOYSA-N 1 2 314.305 1.695 20 5 DDBDLO Cc1cc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc(C)[nH+]1 ZINC001223424139 880956734 /nfs/dbraw/zinc/95/67/34/880956734.db2.gz HYTHUWRYQLXCIN-LBPRGKRZSA-N 1 2 304.306 1.781 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001229960332 884248594 /nfs/dbraw/zinc/24/85/94/884248594.db2.gz KJZUEVUHIVSHFV-NSHDSACASA-N 1 2 324.333 1.399 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001229960332 884248612 /nfs/dbraw/zinc/24/86/12/884248612.db2.gz KJZUEVUHIVSHFV-NSHDSACASA-N 1 2 324.333 1.399 20 5 DDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001231356609 885544039 /nfs/dbraw/zinc/54/40/39/885544039.db2.gz VSNCSLNTKUDBSI-LBPRGKRZSA-N 1 2 315.333 1.258 20 5 DDBDLO COC(=O)c1ccc(O[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001234051034 887593228 /nfs/dbraw/zinc/59/32/28/887593228.db2.gz OJYBZQLKFYUWAV-LLVKDONJSA-N 1 2 324.333 1.481 20 5 DDBDLO CC(=O)OC1C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478571 896456404 /nfs/dbraw/zinc/45/64/04/896456404.db2.gz GYBKNPPFTFIHFX-UHFFFAOYSA-N 1 2 319.361 1.811 20 5 DDBDLO CNC(=O)N1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254565806 896505056 /nfs/dbraw/zinc/50/50/56/896505056.db2.gz QDJJVMHSZRFXGA-LBPRGKRZSA-N 1 2 306.366 1.483 20 5 DDBDLO C[C@@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451105085 231010313 /nfs/dbraw/zinc/01/03/13/231010313.db2.gz ILALEJDGXBYNCI-PWSUYJOCSA-N 1 2 316.317 1.376 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000451465039 231104385 /nfs/dbraw/zinc/10/43/85/231104385.db2.gz VIZHHCOJKVGOEW-AAEUAGOBSA-N 1 2 307.350 1.687 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000451465039 231104388 /nfs/dbraw/zinc/10/43/88/231104388.db2.gz VIZHHCOJKVGOEW-AAEUAGOBSA-N 1 2 307.350 1.687 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000279260099 214744542 /nfs/dbraw/zinc/74/45/42/214744542.db2.gz IELIPGVSGGQNLY-GFCCVEGCSA-N 1 2 307.350 1.388 20 5 DDBDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272483775 209893080 /nfs/dbraw/zinc/89/30/80/209893080.db2.gz BIYDQVLGFTVKTK-SNVBAGLBSA-N 1 2 318.333 1.871 20 5 DDBDLO COCC(=O)NC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459617132 233378816 /nfs/dbraw/zinc/37/88/16/233378816.db2.gz CMQNZBJTAMIWHO-SDQBBNPISA-N 1 2 319.361 1.445 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc1 ZINC000029625952 352242698 /nfs/dbraw/zinc/24/26/98/352242698.db2.gz FRBFAWFFAYZAJD-AWEZNQCLSA-N 1 2 324.406 1.610 20 5 DDBDLO Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000043147763 352362591 /nfs/dbraw/zinc/36/25/91/352362591.db2.gz VZCSJWAXGGHUTJ-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778005 198250611 /nfs/dbraw/zinc/25/06/11/198250611.db2.gz QIFZCGMVMVJJLQ-GFCCVEGCSA-N 1 2 323.349 1.193 20 5 DDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778005 198250613 /nfs/dbraw/zinc/25/06/13/198250613.db2.gz QIFZCGMVMVJJLQ-GFCCVEGCSA-N 1 2 323.349 1.193 20 5 DDBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])n3C)cn2c1 ZINC000345053416 282910318 /nfs/dbraw/zinc/91/03/18/282910318.db2.gz BEQRBWHQCCTNMR-UHFFFAOYSA-N 1 2 313.317 1.819 20 5 DDBDLO CC(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)N1CC[NH+](C)CC1 ZINC000323754319 354541512 /nfs/dbraw/zinc/54/15/12/354541512.db2.gz SPDHTERNMNBJSM-CYBMUJFWSA-N 1 2 322.413 1.256 20 5 DDBDLO CCOc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000315929279 354498384 /nfs/dbraw/zinc/49/83/84/354498384.db2.gz XBVVVJCUJJRXFL-CYBMUJFWSA-N 1 2 308.382 1.651 20 5 DDBDLO CCOc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000315929279 354498386 /nfs/dbraw/zinc/49/83/86/354498386.db2.gz XBVVVJCUJJRXFL-CYBMUJFWSA-N 1 2 308.382 1.651 20 5 DDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000318113655 354514562 /nfs/dbraw/zinc/51/45/62/354514562.db2.gz OOYYFEGXNBZUOQ-NSHDSACASA-N 1 2 319.239 1.781 20 5 DDBDLO COC1CC[NH+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586794977 354866560 /nfs/dbraw/zinc/86/65/60/354866560.db2.gz KOWZMJSIODUKTO-UHFFFAOYSA-N 1 2 323.349 1.141 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000588070178 354899338 /nfs/dbraw/zinc/89/93/38/354899338.db2.gz JWGDZVWSGHHSJD-YPMHNXCESA-N 1 2 323.397 1.419 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000588823314 354939437 /nfs/dbraw/zinc/93/94/37/354939437.db2.gz RIKHDJZGQAGITO-WCQYABFASA-N 1 2 323.397 1.277 20 5 DDBDLO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597792848 357331439 /nfs/dbraw/zinc/33/14/39/357331439.db2.gz BPAHLLCWJBFZRN-LLVKDONJSA-N 1 2 323.349 1.141 20 5 DDBDLO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597792848 357331442 /nfs/dbraw/zinc/33/14/42/357331442.db2.gz BPAHLLCWJBFZRN-LLVKDONJSA-N 1 2 323.349 1.141 20 5 DDBDLO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598459639 357591020 /nfs/dbraw/zinc/59/10/20/357591020.db2.gz JVVCJPNLLQLELD-SNVBAGLBSA-N 1 2 304.306 1.585 20 5 DDBDLO CCn1cc[nH+]c1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598628537 357661055 /nfs/dbraw/zinc/66/10/55/357661055.db2.gz PFBJXSXENPXDSL-UHFFFAOYSA-N 1 2 305.294 1.605 20 5 DDBDLO COc1ccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000598670652 357679189 /nfs/dbraw/zinc/67/91/89/357679189.db2.gz VQTUVNDXZDJOJN-UHFFFAOYSA-N 1 2 318.333 1.921 20 5 DDBDLO NC(=O)N1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599082840 357809602 /nfs/dbraw/zinc/80/96/02/357809602.db2.gz TYWCQHPFVPXDOK-JTQLQIEISA-N 1 2 315.333 1.956 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1COCC[N@@H+]1C ZINC000599161796 357834768 /nfs/dbraw/zinc/83/47/68/357834768.db2.gz VZOIOVNCNNEWQK-NSHDSACASA-N 1 2 323.349 1.432 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1COCC[N@H+]1C ZINC000599161796 357834770 /nfs/dbraw/zinc/83/47/70/357834770.db2.gz VZOIOVNCNNEWQK-NSHDSACASA-N 1 2 323.349 1.432 20 5 DDBDLO Cc1cc(NC[C@H]2C[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599174932 357839187 /nfs/dbraw/zinc/83/91/87/357839187.db2.gz MMXLNZGBDGPHMK-VDISTLRHSA-N 1 2 314.345 1.965 20 5 DDBDLO COc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000599953341 358089652 /nfs/dbraw/zinc/08/96/52/358089652.db2.gz WPAWUWZNEBYRIA-UHFFFAOYSA-N 1 2 302.290 1.525 20 5 DDBDLO COc1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000599953341 358089657 /nfs/dbraw/zinc/08/96/57/358089657.db2.gz WPAWUWZNEBYRIA-UHFFFAOYSA-N 1 2 302.290 1.525 20 5 DDBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+](CCO)CCO)cs2)c1 ZINC000600179863 358148506 /nfs/dbraw/zinc/14/85/06/358148506.db2.gz ZMPUMQRUKNKCQK-UHFFFAOYSA-N 1 2 323.374 1.505 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1-n1c[nH+]c(CCCO)c1 ZINC000601114365 358407824 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C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602900759 359282129 /nfs/dbraw/zinc/28/21/29/359282129.db2.gz VEJUMKNBTPPZBU-AAEUAGOBSA-N 1 2 300.742 1.566 20 5 DDBDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602900759 359282136 /nfs/dbraw/zinc/28/21/36/359282136.db2.gz VEJUMKNBTPPZBU-AAEUAGOBSA-N 1 2 300.742 1.566 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603186835 359466726 /nfs/dbraw/zinc/46/67/26/359466726.db2.gz WYBUJFLFUHAGKI-HZMBPMFUSA-N 1 2 303.322 1.457 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000348313096 283465337 /nfs/dbraw/zinc/46/53/37/283465337.db2.gz VHCOAVYICXGWQP-UHFFFAOYSA-N 1 2 317.301 1.937 20 5 DDBDLO CS(=O)(=O)c1ccc(N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000604558921 359769725 /nfs/dbraw/zinc/76/97/25/359769725.db2.gz LXSIMZBDMAJIET-UHFFFAOYSA-N 1 2 322.346 1.215 20 5 DDBDLO CCN1C(=O)[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000610605601 360481281 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301.302 1.489 20 5 DDBDLO C[C@H]1[NH2+]CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262741871 203397539 /nfs/dbraw/zinc/39/75/39/203397539.db2.gz DXTLNTSYLSMOFW-BDAKNGLRSA-N 1 2 303.322 1.294 20 5 DDBDLO CCc1n[nH]c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000264641232 204046791 /nfs/dbraw/zinc/04/67/91/204046791.db2.gz CAHUUMIMLKZZDF-UHFFFAOYSA-N 1 2 318.337 1.554 20 5 DDBDLO CCc1[nH]nc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000264641232 204046795 /nfs/dbraw/zinc/04/67/95/204046795.db2.gz CAHUUMIMLKZZDF-UHFFFAOYSA-N 1 2 318.337 1.554 20 5 DDBDLO COC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032481320 182644171 /nfs/dbraw/zinc/64/41/71/182644171.db2.gz SKUYUHXDVNTDKT-SNVBAGLBSA-N 1 2 304.306 1.545 20 5 DDBDLO Nc1nsc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000267899944 206325617 /nfs/dbraw/zinc/32/56/17/206325617.db2.gz JJOIJVNDARJANA-UHFFFAOYSA-N 1 2 320.378 1.351 20 5 DDBDLO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])c1 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DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948488 357772041 /nfs/dbraw/zinc/77/20/41/357772041.db2.gz QKSCOXVFLRSFBG-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO NC(=O)[C@@H]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])O1 ZINC000599058922 357804800 /nfs/dbraw/zinc/80/48/00/357804800.db2.gz WRHYBHCVOWASJU-MFKMUULPSA-N 1 2 316.317 1.588 20 5 DDBDLO COC(=O)Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000599160919 357833304 /nfs/dbraw/zinc/83/33/04/357833304.db2.gz LQAPGCAUHRZUDR-GFCCVEGCSA-N 1 2 323.349 1.053 20 5 DDBDLO COC(=O)Cc1ccc(NC[C@@H]2COCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000599160919 357833308 /nfs/dbraw/zinc/83/33/08/357833308.db2.gz LQAPGCAUHRZUDR-GFCCVEGCSA-N 1 2 323.349 1.053 20 5 DDBDLO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000600315289 358194296 /nfs/dbraw/zinc/19/42/96/358194296.db2.gz RIPICEORUXCKEG-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000600315289 358194299 /nfs/dbraw/zinc/19/42/99/358194299.db2.gz RIPICEORUXCKEG-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO COc1cc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])ccc1O ZINC000602436787 358975997 /nfs/dbraw/zinc/97/59/97/358975997.db2.gz PZXURZGVRKSFCR-UHFFFAOYSA-N 1 2 306.322 1.675 20 5 DDBDLO COc1cc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])ccc1O ZINC000602436787 358976000 /nfs/dbraw/zinc/97/60/00/358976000.db2.gz PZXURZGVRKSFCR-UHFFFAOYSA-N 1 2 306.322 1.675 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602644295 359094705 /nfs/dbraw/zinc/09/47/05/359094705.db2.gz LYZBKXJGMJAWOH-TZMCWYRMSA-N 1 2 310.354 1.098 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602644295 359094709 /nfs/dbraw/zinc/09/47/09/359094709.db2.gz LYZBKXJGMJAWOH-TZMCWYRMSA-N 1 2 310.354 1.098 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000602830542 359222366 /nfs/dbraw/zinc/22/23/66/359222366.db2.gz MBWDCLXXSFBXMT-UHFFFAOYSA-N 1 2 318.333 1.700 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000602830542 359222369 /nfs/dbraw/zinc/22/23/69/359222369.db2.gz MBWDCLXXSFBXMT-UHFFFAOYSA-N 1 2 318.333 1.700 20 5 DDBDLO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187718980 200148232 /nfs/dbraw/zinc/14/82/32/200148232.db2.gz NSVLPHDSCSXTJS-GHMZBOCLSA-N 1 2 307.350 1.903 20 5 DDBDLO O=C(CCCn1cc[nH+]c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000604529469 359760865 /nfs/dbraw/zinc/76/08/65/359760865.db2.gz HWWSHXOXVFBINL-UHFFFAOYSA-N 1 2 302.334 1.930 20 5 DDBDLO CCN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283849 360287104 /nfs/dbraw/zinc/28/71/04/360287104.db2.gz FREMKTLZMUTXFV-HIFRSBDPSA-N 1 2 323.393 1.361 20 5 DDBDLO CCN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283849 360287108 /nfs/dbraw/zinc/28/71/08/360287108.db2.gz FREMKTLZMUTXFV-HIFRSBDPSA-N 1 2 323.393 1.361 20 5 DDBDLO CNc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000610116651 360382904 /nfs/dbraw/zinc/38/29/04/360382904.db2.gz KMTDVDZVEDOPKI-NSHDSACASA-N 1 2 317.349 1.899 20 5 DDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)CCC2 ZINC000611041440 360609834 /nfs/dbraw/zinc/60/98/34/360609834.db2.gz AEQHIQBJDHFVJP-LLVKDONJSA-N 1 2 317.349 1.746 20 5 DDBDLO CC(C)(CO)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611272203 360685782 /nfs/dbraw/zinc/68/57/82/360685782.db2.gz ISSSCKNBKDOFKU-UHFFFAOYSA-N 1 2 309.366 1.189 20 5 DDBDLO COC(=O)[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000092013112 193142467 /nfs/dbraw/zinc/14/24/67/193142467.db2.gz YIJRDTLZGKRODX-QKOWSDGPSA-N 1 2 320.345 1.870 20 5 DDBDLO COC(=O)[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000092013112 193142469 /nfs/dbraw/zinc/14/24/69/193142469.db2.gz YIJRDTLZGKRODX-QKOWSDGPSA-N 1 2 320.345 1.870 20 5 DDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000264990205 204328392 /nfs/dbraw/zinc/32/83/92/204328392.db2.gz SVPYAOQTNADGBN-QWRGUYRKSA-N 1 2 300.380 1.848 20 5 DDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000264990205 204328395 /nfs/dbraw/zinc/32/83/95/204328395.db2.gz SVPYAOQTNADGBN-QWRGUYRKSA-N 1 2 300.380 1.848 20 5 DDBDLO Cc1nc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000266166815 205152942 /nfs/dbraw/zinc/15/29/42/205152942.db2.gz PNEJVFXFGDPEDW-TZMCWYRMSA-N 1 2 304.306 1.200 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)n1 ZINC000338880738 250179026 /nfs/dbraw/zinc/17/90/26/250179026.db2.gz PVVAESVVEDWGBE-SNVBAGLBSA-N 1 2 306.326 1.661 20 5 DDBDLO C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000159332618 197346188 /nfs/dbraw/zinc/34/61/88/197346188.db2.gz VLLZYHQVDULDTP-ZDUSSCGKSA-N 1 2 315.333 1.447 20 5 DDBDLO C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000159332618 197346190 /nfs/dbraw/zinc/34/61/90/197346190.db2.gz VLLZYHQVDULDTP-ZDUSSCGKSA-N 1 2 315.333 1.447 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120175149 195111935 /nfs/dbraw/zinc/11/19/35/195111935.db2.gz AGEQCKSGHOSPGV-GFCCVEGCSA-N 1 2 318.337 1.658 20 5 DDBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cn1 ZINC000570190574 304400896 /nfs/dbraw/zinc/40/08/96/304400896.db2.gz RDOGLQGHTAYURD-UHFFFAOYSA-N 1 2 324.300 1.882 20 5 DDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000078510519 407030723 /nfs/dbraw/zinc/03/07/23/407030723.db2.gz ZVBPDKYQDAXSJU-VXGBXAGGSA-N 1 2 307.350 1.434 20 5 DDBDLO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000078510802 407031300 /nfs/dbraw/zinc/03/13/00/407031300.db2.gz WFBRGGGUZGDFDK-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000052129333 407147267 /nfs/dbraw/zinc/14/72/67/407147267.db2.gz PRJBBOJQTIYWGF-UHFFFAOYSA-N 1 2 306.366 1.479 20 5 DDBDLO Cn1ccnc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124648701 407365183 /nfs/dbraw/zinc/36/51/83/407365183.db2.gz MNSCQSDTPUXBTN-UHFFFAOYSA-N 1 2 317.349 1.789 20 5 DDBDLO Cn1ccnc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124648701 407365185 /nfs/dbraw/zinc/36/51/85/407365185.db2.gz MNSCQSDTPUXBTN-UHFFFAOYSA-N 1 2 317.349 1.789 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000111287697 407406268 /nfs/dbraw/zinc/40/62/68/407406268.db2.gz YFLHSXMZOITWPX-LBPRGKRZSA-N 1 2 321.377 1.935 20 5 DDBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000112618436 407433563 /nfs/dbraw/zinc/43/35/63/407433563.db2.gz BYNKOZHTTGAXNP-NSHDSACASA-N 1 2 300.380 1.850 20 5 DDBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000112618436 407433565 /nfs/dbraw/zinc/43/35/65/407433565.db2.gz BYNKOZHTTGAXNP-NSHDSACASA-N 1 2 300.380 1.850 20 5 DDBDLO Cc1cc(N2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265868569 407490113 /nfs/dbraw/zinc/49/01/13/407490113.db2.gz YYVSDADTLFXROP-ZDUSSCGKSA-N 1 2 300.318 1.931 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000171416771 407681955 /nfs/dbraw/zinc/68/19/55/407681955.db2.gz BVCQNCDNJHRENN-UHFFFAOYSA-N 1 2 311.313 1.138 20 5 DDBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189562051 408049553 /nfs/dbraw/zinc/04/95/53/408049553.db2.gz ZRHOVBJQRNURKJ-UONOGXRCSA-N 1 2 308.334 1.136 20 5 DDBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189562051 408049557 /nfs/dbraw/zinc/04/95/57/408049557.db2.gz ZRHOVBJQRNURKJ-UONOGXRCSA-N 1 2 308.334 1.136 20 5 DDBDLO CC(=O)NC[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245514652 408006493 /nfs/dbraw/zinc/00/64/93/408006493.db2.gz CETPXJMUJMCJPK-DOMZBBRYSA-N 1 2 321.377 1.801 20 5 DDBDLO CC(=O)NC[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245514652 408006497 /nfs/dbraw/zinc/00/64/97/408006497.db2.gz CETPXJMUJMCJPK-DOMZBBRYSA-N 1 2 321.377 1.801 20 5 DDBDLO CC(=O)N1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268662415 408144861 /nfs/dbraw/zinc/14/48/61/408144861.db2.gz ISODMUJPJMIFOK-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CC(=O)N1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268662415 408144868 /nfs/dbraw/zinc/14/48/68/408144868.db2.gz ISODMUJPJMIFOK-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO Cc1nn(CCC(=O)N(C)Cc2[nH+]ccn2C)c(C)c1[N+](=O)[O-] ZINC000264020854 408346710 /nfs/dbraw/zinc/34/67/10/408346710.db2.gz XZYLTOMDOLJASR-UHFFFAOYSA-N 1 2 320.353 1.190 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000184011017 408530317 /nfs/dbraw/zinc/53/03/17/408530317.db2.gz RYPOMERIFSIQJD-UHFFFAOYSA-N 1 2 314.349 1.723 20 5 DDBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000264393810 408471163 /nfs/dbraw/zinc/47/11/63/408471163.db2.gz KTJQBGOKCDUECQ-SNVBAGLBSA-N 1 2 324.410 1.352 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@@H+](C2CC2)CC1 ZINC000184317640 408589827 /nfs/dbraw/zinc/58/98/27/408589827.db2.gz WHENMPWXSJGCIR-UHFFFAOYSA-N 1 2 305.334 1.611 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+](C2CC2)CC1 ZINC000184317640 408589832 /nfs/dbraw/zinc/58/98/32/408589832.db2.gz WHENMPWXSJGCIR-UHFFFAOYSA-N 1 2 305.334 1.611 20 5 DDBDLO COc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000192457444 408590964 /nfs/dbraw/zinc/59/09/64/408590964.db2.gz LKHHWGORAPKAOR-UHFFFAOYSA-N 1 2 305.334 1.524 20 5 DDBDLO CC[C@](C)([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(N)=O ZINC000177140336 408533962 /nfs/dbraw/zinc/53/39/62/408533962.db2.gz ATYFUFAIKOEXOU-AWEZNQCLSA-N 1 2 319.321 1.388 20 5 DDBDLO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280838637 408844320 /nfs/dbraw/zinc/84/43/20/408844320.db2.gz UOUMXPVSBYJJJB-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280838637 408844322 /nfs/dbraw/zinc/84/43/22/408844322.db2.gz UOUMXPVSBYJJJB-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000276836675 408901314 /nfs/dbraw/zinc/90/13/14/408901314.db2.gz BSYHBKJUQFNNII-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO CCOc1cc(C[N@H+]2CCC[C@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000276836675 408901317 /nfs/dbraw/zinc/90/13/17/408901317.db2.gz BSYHBKJUQFNNII-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000277401075 408933295 /nfs/dbraw/zinc/93/32/95/408933295.db2.gz GWJUDVILCYDBIQ-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CC1 ZINC000278071713 409060998 /nfs/dbraw/zinc/06/09/98/409060998.db2.gz XEIYXQPPPLKXHQ-UHFFFAOYSA-N 1 2 319.361 1.118 20 5 DDBDLO O=c1nc([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000289047478 409211524 /nfs/dbraw/zinc/21/15/24/409211524.db2.gz BWJRJJLBFAOHQQ-GFCCVEGCSA-N 1 2 303.322 1.733 20 5 DDBDLO O=c1nc([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000289047478 409211525 /nfs/dbraw/zinc/21/15/25/409211525.db2.gz BWJRJJLBFAOHQQ-GFCCVEGCSA-N 1 2 303.322 1.733 20 5 DDBDLO O=c1nc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289470048 409278636 /nfs/dbraw/zinc/27/86/36/409278636.db2.gz QVDRZDRLKFHULP-NSHDSACASA-N 1 2 303.322 1.386 20 5 DDBDLO O=c1nc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289470048 409278638 /nfs/dbraw/zinc/27/86/38/409278638.db2.gz QVDRZDRLKFHULP-NSHDSACASA-N 1 2 303.322 1.386 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000408171306 164250377 /nfs/dbraw/zinc/25/03/77/164250377.db2.gz HVYIMSVHHIIJNV-JSGCOSHPSA-N 1 2 320.393 1.764 20 5 DDBDLO COC(=O)c1cc(N2CCn3c[nH+]cc3C2)cc(C)c1[N+](=O)[O-] ZINC000290730917 409500280 /nfs/dbraw/zinc/50/02/80/409500280.db2.gz QKTVWAOGFGWOLB-UHFFFAOYSA-N 1 2 316.317 1.907 20 5 DDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513500 409585688 /nfs/dbraw/zinc/58/56/88/409585688.db2.gz NEDLVYIHIDEJJT-TVQRCGJNSA-N 1 2 305.334 1.513 20 5 DDBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513500 409585702 /nfs/dbraw/zinc/58/57/02/409585702.db2.gz NEDLVYIHIDEJJT-TVQRCGJNSA-N 1 2 305.334 1.513 20 5 DDBDLO Cc1cc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)cc([N+](=O)[O-])c1 ZINC000351257400 410051719 /nfs/dbraw/zinc/05/17/19/410051719.db2.gz FLIAFEJMUNBTTP-LBPRGKRZSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1cc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)cc([N+](=O)[O-])c1 ZINC000351257400 410051725 /nfs/dbraw/zinc/05/17/25/410051725.db2.gz FLIAFEJMUNBTTP-LBPRGKRZSA-N 1 2 304.306 1.956 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000332369874 410103873 /nfs/dbraw/zinc/10/38/73/410103873.db2.gz WRTFLZNIJALVSM-LBPRGKRZSA-N 1 2 303.322 1.729 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000332369874 410103877 /nfs/dbraw/zinc/10/38/77/410103877.db2.gz WRTFLZNIJALVSM-LBPRGKRZSA-N 1 2 303.322 1.729 20 5 DDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332703964 410223597 /nfs/dbraw/zinc/22/35/97/410223597.db2.gz 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CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1C ZINC000330555469 410771273 /nfs/dbraw/zinc/77/12/73/410771273.db2.gz GWHFKEASBWGZBZ-MNOVXSKESA-N 1 2 307.350 1.855 20 5 DDBDLO C[C@H]1COCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000374367698 418523771 /nfs/dbraw/zinc/52/37/71/418523771.db2.gz RVHJBGXOXXITFU-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO C[C@H]1COCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000374367698 418523774 /nfs/dbraw/zinc/52/37/74/418523774.db2.gz RVHJBGXOXXITFU-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000374819538 418564856 /nfs/dbraw/zinc/56/48/56/418564856.db2.gz NVTXJCZNRTZFFA-SNVBAGLBSA-N 1 2 315.333 1.540 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367849350 418645635 /nfs/dbraw/zinc/64/56/35/418645635.db2.gz XOFYXPKBGFQWOH-GXTWGEPZSA-N 1 2 321.333 1.405 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367849350 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322.365 1.016 20 5 DDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855410189 704483299 /nfs/dbraw/zinc/48/32/99/704483299.db2.gz IFBFVZZQUZEWCV-MNOVXSKESA-N 1 2 322.365 1.016 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1c[nH+]cn1C ZINC000821832668 704820759 /nfs/dbraw/zinc/82/07/59/704820759.db2.gz IFBUDHLVEAIUDH-UHFFFAOYSA-N 1 2 302.334 1.918 20 5 DDBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000826729848 705860052 /nfs/dbraw/zinc/86/00/52/705860052.db2.gz KEXJMZZRFZUOFT-CQSZACIVSA-N 1 2 315.333 1.094 20 5 DDBDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000826729848 705860053 /nfs/dbraw/zinc/86/00/53/705860053.db2.gz KEXJMZZRFZUOFT-CQSZACIVSA-N 1 2 315.333 1.094 20 5 DDBDLO CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000898894053 708911760 /nfs/dbraw/zinc/91/17/60/708911760.db2.gz UYTKCDRLVAFEBT-UHFFFAOYSA-N 1 2 318.333 1.722 20 5 DDBDLO O=[N+]([O-])c1ccc(-n2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000899683022 709147078 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Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000921413588 713761899 /nfs/dbraw/zinc/76/18/99/713761899.db2.gz OZLRLRMNZOSASG-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000921413588 713761901 /nfs/dbraw/zinc/76/19/01/713761901.db2.gz OZLRLRMNZOSASG-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO COC1(OC)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000931640433 714147163 /nfs/dbraw/zinc/14/71/63/714147163.db2.gz PQSRYUXIOYIIFB-CYBMUJFWSA-N 1 2 314.313 1.290 20 5 DDBDLO COC1(OC)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000931640433 714147165 /nfs/dbraw/zinc/14/71/65/714147165.db2.gz PQSRYUXIOYIIFB-CYBMUJFWSA-N 1 2 314.313 1.290 20 5 DDBDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001120881788 782206939 /nfs/dbraw/zinc/20/69/39/782206939.db2.gz KVBPJQORQFVUBP-UHFFFAOYSA-N 1 2 320.349 1.006 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc[nH+]c(N)c1 ZINC001167617769 734835470 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CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001118794427 781241109 /nfs/dbraw/zinc/24/11/09/781241109.db2.gz XVCLGXWENQRKPH-JTQLQIEISA-N 1 2 315.333 1.578 20 5 DDBDLO COc1cc(N2CCN(c3cc([N+](=O)[O-])ccn3)CC2)cc[nH+]1 ZINC001158098686 864427751 /nfs/dbraw/zinc/42/77/51/864427751.db2.gz SLZLHCPWVLXTMY-UHFFFAOYSA-N 1 2 315.333 1.720 20 5 DDBDLO Cc1nc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160734091 866085041 /nfs/dbraw/zinc/08/50/41/866085041.db2.gz YOJZVQDJENYIGJ-NEPJUHHUSA-N 1 2 307.354 1.358 20 5 DDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001303339564 871119623 /nfs/dbraw/zinc/11/96/23/871119623.db2.gz PNJKRLVXAMZEFP-NSHDSACASA-N 1 2 322.365 1.018 20 5 DDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001303339564 871119630 /nfs/dbraw/zinc/11/96/30/871119630.db2.gz PNJKRLVXAMZEFP-NSHDSACASA-N 1 2 322.365 1.018 20 5 DDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc([N+](=O)[O-])ccc1OC ZINC001210444328 875390559 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20 5 DDBDLO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001230245886 884387860 /nfs/dbraw/zinc/38/78/60/884387860.db2.gz DZIYHFACCSTFKV-LBPRGKRZSA-N 1 2 309.322 1.263 20 5 DDBDLO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001230245886 884387886 /nfs/dbraw/zinc/38/78/86/884387886.db2.gz DZIYHFACCSTFKV-LBPRGKRZSA-N 1 2 309.322 1.263 20 5 DDBDLO O=C(NC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000041378294 539031846 /nfs/dbraw/zinc/03/18/46/539031846.db2.gz ROVFVXUKCJAMHF-LLVKDONJSA-N 1 2 316.317 1.547 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000296597041 529573290 /nfs/dbraw/zinc/57/32/90/529573290.db2.gz UZSLQNJHQSIAPC-UHFFFAOYSA-N 1 2 317.349 1.853 20 5 DDBDLO Cc1cccc(N2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000614973015 362100139 /nfs/dbraw/zinc/10/01/39/362100139.db2.gz UCIYWHRJSDNSBO-UHFFFAOYSA-N 1 2 306.366 1.113 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456357682 231845016 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C[N@@H+](CC(=O)NCc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000171916610 198007574 /nfs/dbraw/zinc/00/75/74/198007574.db2.gz XGOYBQAHXDJLJR-UHFFFAOYSA-N 1 2 314.345 1.738 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000277186625 213353700 /nfs/dbraw/zinc/35/37/00/213353700.db2.gz AYEKRMSJAGWQJQ-UHFFFAOYSA-N 1 2 318.333 1.962 20 5 DDBDLO CC(C)N(C)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742926 352510333 /nfs/dbraw/zinc/51/03/33/352510333.db2.gz AWTDDZXROKRHQQ-UHFFFAOYSA-N 1 2 320.393 1.584 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1 ZINC000054534673 352694478 /nfs/dbraw/zinc/69/44/78/352694478.db2.gz WTTVUGITBRYSBI-UHFFFAOYSA-N 1 2 322.346 1.380 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(N)=O)C(C)C ZINC000072863402 191244250 /nfs/dbraw/zinc/24/42/50/191244250.db2.gz ZUQWTXFMPINQTO-UHFFFAOYSA-N 1 2 308.338 1.037 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(N)=O)C(C)C ZINC000072863402 191244253 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/nfs/dbraw/zinc/84/59/71/353845971.db2.gz RDNDOLYIPPAJNG-UHFFFAOYSA-N 1 2 307.350 1.745 20 5 DDBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O ZINC000113316406 353977063 /nfs/dbraw/zinc/97/70/63/353977063.db2.gz HJAAFPCAKZHPQZ-MRVPVSSYSA-N 1 2 306.347 1.682 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000147034738 354162874 /nfs/dbraw/zinc/16/28/74/354162874.db2.gz PEKQGOBAMAIXTR-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO CCN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000273515344 354410502 /nfs/dbraw/zinc/41/05/02/354410502.db2.gz PBACIPFXWJDNLY-UHFFFAOYSA-N 1 2 307.350 1.528 20 5 DDBDLO CCN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000273515344 354410504 /nfs/dbraw/zinc/41/05/04/354410504.db2.gz PBACIPFXWJDNLY-UHFFFAOYSA-N 1 2 307.350 1.528 20 5 DDBDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000315391756 354493215 /nfs/dbraw/zinc/49/32/15/354493215.db2.gz SOYPUUMILVUEEJ-SECBINFHSA-N 1 2 317.342 1.106 20 5 DDBDLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000315391756 354493218 /nfs/dbraw/zinc/49/32/18/354493218.db2.gz SOYPUUMILVUEEJ-SECBINFHSA-N 1 2 317.342 1.106 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005445 355039573 /nfs/dbraw/zinc/03/95/73/355039573.db2.gz UKDWSOIZPQCJDR-GDNZZTSVSA-N 1 2 305.334 1.012 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005445 355039577 /nfs/dbraw/zinc/03/95/77/355039577.db2.gz UKDWSOIZPQCJDR-GDNZZTSVSA-N 1 2 305.334 1.012 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3nc[nH]c3C2)c2c(c1)COCO2 ZINC000590599551 355126149 /nfs/dbraw/zinc/12/61/49/355126149.db2.gz IOASCWJRTZTAQP-UHFFFAOYSA-N 1 2 316.317 1.743 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3nc[nH]c3C2)c2c(c1)COCO2 ZINC000590599551 355126152 /nfs/dbraw/zinc/12/61/52/355126152.db2.gz IOASCWJRTZTAQP-UHFFFAOYSA-N 1 2 316.317 1.743 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000593082017 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DDBDLO CCOc1cc(C[N@@H+](C)Cc2n[nH]c(=O)o2)ccc1[N+](=O)[O-] ZINC000595548326 356544941 /nfs/dbraw/zinc/54/49/41/356544941.db2.gz WEAJUPOPRSAJOB-UHFFFAOYSA-N 1 2 308.294 1.714 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595735573 356628613 /nfs/dbraw/zinc/62/86/13/356628613.db2.gz BDUMNFHKQLBHKU-LBPRGKRZSA-N 1 2 323.349 1.189 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595735573 356628615 /nfs/dbraw/zinc/62/86/15/356628615.db2.gz BDUMNFHKQLBHKU-LBPRGKRZSA-N 1 2 323.349 1.189 20 5 DDBDLO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000601347968 358509805 /nfs/dbraw/zinc/50/98/05/358509805.db2.gz NUSGJJHDFDCKEJ-JOYOIKCWSA-N 1 2 311.313 1.183 20 5 DDBDLO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000601347968 358509808 /nfs/dbraw/zinc/50/98/08/358509808.db2.gz NUSGJJHDFDCKEJ-JOYOIKCWSA-N 1 2 311.313 1.183 20 5 DDBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595816811 356661956 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Cn1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])n1 ZINC000602673769 359118517 /nfs/dbraw/zinc/11/85/17/359118517.db2.gz CEQVDIASZDQVMQ-LLVKDONJSA-N 1 2 310.745 1.625 20 5 DDBDLO Cn1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])n1 ZINC000602673769 359118521 /nfs/dbraw/zinc/11/85/21/359118521.db2.gz CEQVDIASZDQVMQ-LLVKDONJSA-N 1 2 310.745 1.625 20 5 DDBDLO CCCN1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1=O ZINC000602811531 359208230 /nfs/dbraw/zinc/20/82/30/359208230.db2.gz LNTAOJJNKIRBPV-UHFFFAOYSA-N 1 2 323.397 1.433 20 5 DDBDLO CCCN1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1=O ZINC000602811531 359208234 /nfs/dbraw/zinc/20/82/34/359208234.db2.gz LNTAOJJNKIRBPV-UHFFFAOYSA-N 1 2 323.397 1.433 20 5 DDBDLO O=[N+]([O-])c1cc(F)ccc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603224209 359495036 /nfs/dbraw/zinc/49/50/36/359495036.db2.gz MZTKFCHRWOPQRJ-GFCCVEGCSA-N 1 2 307.285 1.035 20 5 DDBDLO COCC[N@H+](C)Cc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223242 359495322 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CN(C)c1cc[nH+]c(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000612347466 360979716 /nfs/dbraw/zinc/97/97/16/360979716.db2.gz YVLQGBKOPNIBJH-UHFFFAOYSA-N 1 2 301.306 1.890 20 5 DDBDLO O=C(NCCCCCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193296773 201022968 /nfs/dbraw/zinc/02/29/68/201022968.db2.gz MKNMUYVXOCUZRG-UHFFFAOYSA-N 1 2 318.333 1.673 20 5 DDBDLO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000093137509 193206817 /nfs/dbraw/zinc/20/68/17/193206817.db2.gz HSZDCMWJQGSBMZ-HOSRBBHYSA-N 1 2 307.350 1.430 20 5 DDBDLO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000093137509 193206818 /nfs/dbraw/zinc/20/68/18/193206818.db2.gz HSZDCMWJQGSBMZ-HOSRBBHYSA-N 1 2 307.350 1.430 20 5 DDBDLO CC[C@@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000350473050 284202027 /nfs/dbraw/zinc/20/20/27/284202027.db2.gz FGGMVVMGYDVYDU-MRXNPFEDSA-N 1 2 323.393 2.000 20 5 DDBDLO COc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000351475407 284330462 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DDBDLO Cc1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000274058277 211316856 /nfs/dbraw/zinc/31/68/56/211316856.db2.gz DBHIBGVWFJGJLE-ZDUSSCGKSA-N 1 2 312.391 1.912 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000106369812 194203070 /nfs/dbraw/zinc/20/30/70/194203070.db2.gz LUMLSRMDQDUVKP-LBPRGKRZSA-N 1 2 322.321 1.778 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000106369812 194203072 /nfs/dbraw/zinc/20/30/72/194203072.db2.gz LUMLSRMDQDUVKP-LBPRGKRZSA-N 1 2 322.321 1.778 20 5 DDBDLO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c[nH+]1 ZINC000285226243 218340203 /nfs/dbraw/zinc/34/02/03/218340203.db2.gz VEHAVSWRXSCSPU-UHFFFAOYSA-N 1 2 318.337 1.489 20 5 DDBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341018487 251339011 /nfs/dbraw/zinc/33/90/11/251339011.db2.gz ULSHTGUXGUMMKY-HZMBPMFUSA-N 1 2 323.349 1.245 20 5 DDBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341018487 251339014 /nfs/dbraw/zinc/33/90/14/251339014.db2.gz ULSHTGUXGUMMKY-HZMBPMFUSA-N 1 2 323.349 1.245 20 5 DDBDLO CCc1cc(NC[C@H](O)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269170196 207292859 /nfs/dbraw/zinc/29/28/59/207292859.db2.gz RHAXYNMFPGWEBC-ZDUSSCGKSA-N 1 2 318.333 1.379 20 5 DDBDLO O=c1c(Cl)cc([N+](=O)[O-])cn1CC[N@@H+]1CCCOCC1 ZINC000412994610 224117154 /nfs/dbraw/zinc/11/71/54/224117154.db2.gz PLLAGIQTEDLUDZ-UHFFFAOYSA-N 1 2 301.730 1.132 20 5 DDBDLO O=c1c(Cl)cc([N+](=O)[O-])cn1CC[N@H+]1CCCOCC1 ZINC000412994610 224117156 /nfs/dbraw/zinc/11/71/56/224117156.db2.gz PLLAGIQTEDLUDZ-UHFFFAOYSA-N 1 2 301.730 1.132 20 5 DDBDLO C[C@@H](CC(N)=O)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353391880 285703326 /nfs/dbraw/zinc/70/33/26/285703326.db2.gz FGRNNOFJFLLOFM-IINYFYTJSA-N 1 2 317.349 1.271 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)C3CC3)n2)cc1 ZINC000071956183 406870443 /nfs/dbraw/zinc/87/04/43/406870443.db2.gz WNDJMPWFZAZXAG-UHFFFAOYSA-N 1 2 304.306 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1.905 20 5 DDBDLO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCC1 ZINC000179482880 407794943 /nfs/dbraw/zinc/79/49/43/407794943.db2.gz ISOPZZQETIZGMU-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135639392 408044002 /nfs/dbraw/zinc/04/40/02/408044002.db2.gz RWSVGOHWBJAFMJ-UHFFFAOYSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135639392 408044005 /nfs/dbraw/zinc/04/40/05/408044005.db2.gz RWSVGOHWBJAFMJ-UHFFFAOYSA-N 1 2 322.361 1.985 20 5 DDBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154196149 407994108 /nfs/dbraw/zinc/99/41/08/407994108.db2.gz SLEDFWOILNSCFF-KCJUWKMLSA-N 1 2 300.746 1.774 20 5 DDBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154196149 407994113 /nfs/dbraw/zinc/99/41/13/407994113.db2.gz SLEDFWOILNSCFF-KCJUWKMLSA-N 1 2 300.746 1.774 20 5 DDBDLO Cc1ccnc(N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000273450231 408204166 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DDBDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000184680621 408667364 /nfs/dbraw/zinc/66/73/64/408667364.db2.gz LPJHCCGXYIWLOU-ZIAGYGMSSA-N 1 2 308.334 1.656 20 5 DDBDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000184680621 408667370 /nfs/dbraw/zinc/66/73/70/408667370.db2.gz LPJHCCGXYIWLOU-ZIAGYGMSSA-N 1 2 308.334 1.656 20 5 DDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658485 408733932 /nfs/dbraw/zinc/73/39/32/408733932.db2.gz WTMFKTKUHAYWBB-ZSMADZGOSA-N 1 2 312.391 1.815 20 5 DDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658485 408733935 /nfs/dbraw/zinc/73/39/35/408733935.db2.gz WTMFKTKUHAYWBB-ZSMADZGOSA-N 1 2 312.391 1.815 20 5 DDBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)[nH+]1 ZINC000286663837 408994125 /nfs/dbraw/zinc/99/41/25/408994125.db2.gz VNBNDSBULPZYST-UHFFFAOYSA-N 1 2 315.333 1.837 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000279251047 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/nfs/dbraw/zinc/31/42/45/410314245.db2.gz ISFNIJZTGTWWPM-LLVKDONJSA-N 1 2 322.340 1.770 20 5 DDBDLO Cc1ccn2cc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000347701528 410675307 /nfs/dbraw/zinc/67/53/07/410675307.db2.gz LZLZFVFSPNTTSC-UHFFFAOYSA-N 1 2 314.305 1.214 20 5 DDBDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1C ZINC000330555470 410771131 /nfs/dbraw/zinc/77/11/31/410771131.db2.gz GWHFKEASBWGZBZ-QWRGUYRKSA-N 1 2 307.350 1.855 20 5 DDBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1C ZINC000330555470 410771138 /nfs/dbraw/zinc/77/11/38/410771138.db2.gz GWHFKEASBWGZBZ-QWRGUYRKSA-N 1 2 307.350 1.855 20 5 DDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c[nH]1 ZINC000359688479 410817395 /nfs/dbraw/zinc/81/73/95/410817395.db2.gz ZIWYPRLNNAFJTO-UHFFFAOYSA-N 1 2 303.322 1.826 20 5 DDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1c[nH]c[nH+]1 ZINC000359688479 410817404 /nfs/dbraw/zinc/81/74/04/410817404.db2.gz ZIWYPRLNNAFJTO-UHFFFAOYSA-N 1 2 303.322 1.826 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCOCC2)c1 ZINC000360136655 411067054 /nfs/dbraw/zinc/06/70/54/411067054.db2.gz WAPRKOYNCPHWEF-UHFFFAOYSA-N 1 2 323.349 1.150 20 5 DDBDLO Cn1c(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000356670713 411121139 /nfs/dbraw/zinc/12/11/39/411121139.db2.gz JBBSNYXOAWDDDX-NSHDSACASA-N 1 2 319.321 1.519 20 5 DDBDLO Cn1c(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000356670713 411121141 /nfs/dbraw/zinc/12/11/41/411121141.db2.gz JBBSNYXOAWDDDX-NSHDSACASA-N 1 2 319.321 1.519 20 5 DDBDLO COc1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000131139507 196143311 /nfs/dbraw/zinc/14/33/11/196143311.db2.gz DKTZXJNARDQIHJ-ZFWWWQNUSA-N 1 2 307.350 1.118 20 5 DDBDLO COc1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000131139507 196143312 /nfs/dbraw/zinc/14/33/12/196143312.db2.gz DKTZXJNARDQIHJ-ZFWWWQNUSA-N 1 2 307.350 1.118 20 5 DDBDLO COc1ccc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000131139507 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BVTOCNFXJDWHRL-SGIREYDYSA-N 1 2 318.329 1.980 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001226530391 882489272 /nfs/dbraw/zinc/48/92/72/882489272.db2.gz BVTOCNFXJDWHRL-SGIREYDYSA-N 1 2 318.329 1.980 20 5 DDBDLO CN(C)c1[nH+]ccc2c1CN(c1nn(C)cc1[N+](=O)[O-])CC2 ZINC001307232463 871413285 /nfs/dbraw/zinc/41/32/85/871413285.db2.gz DVUBFISFOATDJL-UHFFFAOYSA-N 1 2 302.338 1.352 20 5 DDBDLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001213592443 875988652 /nfs/dbraw/zinc/98/86/52/875988652.db2.gz YUYFHIVPDFDMSA-NSHDSACASA-N 1 2 324.362 1.472 20 5 DDBDLO CCOC(=O)c1ccc(O[C@@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218232461 877431265 /nfs/dbraw/zinc/43/12/65/877431265.db2.gz CIVRNDIHLSFVLX-LLVKDONJSA-N 1 2 316.260 1.757 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001229059858 883797130 /nfs/dbraw/zinc/79/71/30/883797130.db2.gz XICXUKYFMSTLEN-NSHDSACASA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001229059858 883797138 /nfs/dbraw/zinc/79/71/38/883797138.db2.gz XICXUKYFMSTLEN-NSHDSACASA-N 1 2 310.306 1.091 20 5 DDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CCCO)CC1 ZINC001254552020 896498857 /nfs/dbraw/zinc/49/88/57/896498857.db2.gz IBZHQQPBHJVXKS-CQSZACIVSA-N 1 2 307.394 1.526 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000295821008 529571396 /nfs/dbraw/zinc/57/13/96/529571396.db2.gz UCOMWPCPMIOPEV-UHFFFAOYSA-N 1 2 317.349 1.564 20 5 DDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451751660 529579300 /nfs/dbraw/zinc/57/93/00/529579300.db2.gz CGYUGKFSKIJORF-UHFFFAOYSA-N 1 2 324.362 1.598 20 5 DDBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255398807 282255519 /nfs/dbraw/zinc/25/55/19/282255519.db2.gz YMQPMOHVTABWDE-RYWCDNDXSA-N 1 2 310.375 1.727 20 5 DDBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255398807 282255522 /nfs/dbraw/zinc/25/55/22/282255522.db2.gz YMQPMOHVTABWDE-RYWCDNDXSA-N 1 2 310.375 1.727 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000616012942 362520261 /nfs/dbraw/zinc/52/02/61/362520261.db2.gz JORLCZWKVVUPTE-ZDUSSCGKSA-N 1 2 315.333 1.555 20 5 DDBDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000616176482 362574837 /nfs/dbraw/zinc/57/48/37/362574837.db2.gz JRBDBMQKDVRLSL-NSHDSACASA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000616176482 362574843 /nfs/dbraw/zinc/57/48/43/362574843.db2.gz JRBDBMQKDVRLSL-NSHDSACASA-N 1 2 306.322 1.190 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000616176482 362574849 /nfs/dbraw/zinc/57/48/49/362574849.db2.gz JRBDBMQKDVRLSL-NSHDSACASA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000046055257 352434523 /nfs/dbraw/zinc/43/45/23/352434523.db2.gz GHEJLUOTXOLOMV-GFCCVEGCSA-N 1 2 314.363 1.093 20 5 DDBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000046055257 352434526 /nfs/dbraw/zinc/43/45/26/352434526.db2.gz GHEJLUOTXOLOMV-GFCCVEGCSA-N 1 2 314.363 1.093 20 5 DDBDLO CN(C)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000046386229 352450942 /nfs/dbraw/zinc/45/09/42/352450942.db2.gz DYPVUKSALQGTID-UHFFFAOYSA-N 1 2 314.345 1.915 20 5 DDBDLO CC(C)C(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051261491 352582173 /nfs/dbraw/zinc/58/21/73/352582173.db2.gz UXJHPFUZSGUDBE-UHFFFAOYSA-N 1 2 321.377 1.774 20 5 DDBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000053633415 352663029 /nfs/dbraw/zinc/66/30/29/352663029.db2.gz SIOKPAYNGBGVEA-KGLIPLIRSA-N 1 2 318.377 1.743 20 5 DDBDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000053814401 352667972 /nfs/dbraw/zinc/66/79/72/352667972.db2.gz BAYDRXMGTZJCLM-UHFFFAOYSA-N 1 2 304.306 1.962 20 5 DDBDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000053814401 352667974 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CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000340922110 251277666 /nfs/dbraw/zinc/27/76/66/251277666.db2.gz XUTPDKGCJMXYFM-WDEREUQCSA-N 1 2 323.349 1.387 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000340922110 251277668 /nfs/dbraw/zinc/27/76/68/251277668.db2.gz XUTPDKGCJMXYFM-WDEREUQCSA-N 1 2 323.349 1.387 20 5 DDBDLO COCCc1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352551211 285134117 /nfs/dbraw/zinc/13/41/17/285134117.db2.gz WNCFSGKVDXXZTP-UHFFFAOYSA-N 1 2 320.349 1.841 20 5 DDBDLO COCCc1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352551211 285134119 /nfs/dbraw/zinc/13/41/19/285134119.db2.gz WNCFSGKVDXXZTP-UHFFFAOYSA-N 1 2 320.349 1.841 20 5 DDBDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494453835 533155811 /nfs/dbraw/zinc/15/58/11/533155811.db2.gz LRMBQXZIBFDMOL-UHFFFAOYSA-N 1 2 321.377 1.664 20 5 DDBDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000121594678 195312425 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COc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000153629390 407863026 /nfs/dbraw/zinc/86/30/26/407863026.db2.gz WLTKBRGMVCJHHX-NSHDSACASA-N 1 2 318.333 1.866 20 5 DDBDLO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000153764101 407899084 /nfs/dbraw/zinc/89/90/84/407899084.db2.gz NIKHJPJDGCOOTJ-GFCCVEGCSA-N 1 2 302.334 1.786 20 5 DDBDLO COC(=O)[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000190087869 408161794 /nfs/dbraw/zinc/16/17/94/408161794.db2.gz VZHVHOSJTWUELJ-NSHDSACASA-N 1 2 323.349 1.173 20 5 DDBDLO COC(=O)[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000190087869 408161799 /nfs/dbraw/zinc/16/17/99/408161799.db2.gz VZHVHOSJTWUELJ-NSHDSACASA-N 1 2 323.349 1.173 20 5 DDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])s3)CC2)S1 ZINC000190330931 408223933 /nfs/dbraw/zinc/22/39/33/408223933.db2.gz XQGCDWAUHKFVBI-MRVPVSSYSA-N 1 2 313.408 1.665 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@H]2CN3CC[NH+]2CC3)c2ccncc21 ZINC000269490235 408328116 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Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000067161893 353036505 /nfs/dbraw/zinc/03/65/05/353036505.db2.gz FIPDJKKOXFERRC-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000331899709 234253503 /nfs/dbraw/zinc/25/35/03/234253503.db2.gz JMTAQQNGURYTTF-IMJJTQAJSA-N 1 2 322.361 1.662 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000331899709 234253507 /nfs/dbraw/zinc/25/35/07/234253507.db2.gz JMTAQQNGURYTTF-IMJJTQAJSA-N 1 2 322.361 1.662 20 5 DDBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1F ZINC000067524156 353053808 /nfs/dbraw/zinc/05/38/08/353053808.db2.gz APCTWWXYGGKGGO-FZMZJTMJSA-N 1 2 318.308 1.601 20 5 DDBDLO COc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000073832189 353273745 /nfs/dbraw/zinc/27/37/45/353273745.db2.gz GOXRITLRTDKRQZ-UHFFFAOYSA-N 1 2 316.317 1.840 20 5 DDBDLO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182081428 199384839 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DDBDLO Cn1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595374629 356470385 /nfs/dbraw/zinc/47/03/85/356470385.db2.gz IKXRBFVBUGCPFN-LLVKDONJSA-N 1 2 302.338 1.410 20 5 DDBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595438569 356492866 /nfs/dbraw/zinc/49/28/66/356492866.db2.gz QIELDYSAMJLEFI-CYBMUJFWSA-N 1 2 322.340 1.770 20 5 DDBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595438569 356492870 /nfs/dbraw/zinc/49/28/70/356492870.db2.gz QIELDYSAMJLEFI-CYBMUJFWSA-N 1 2 322.340 1.770 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595811113 356660636 /nfs/dbraw/zinc/66/06/36/356660636.db2.gz SSZGGUQTXVNADU-QWRGUYRKSA-N 1 2 305.334 1.884 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595811113 356660640 /nfs/dbraw/zinc/66/06/40/356660640.db2.gz SSZGGUQTXVNADU-QWRGUYRKSA-N 1 2 305.334 1.884 20 5 DDBDLO NC(=O)c1cc(N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596159910 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DDBDLO CC(C)C(=O)N1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602447943 358983640 /nfs/dbraw/zinc/98/36/40/358983640.db2.gz HTCLUUBQRVRJMR-UHFFFAOYSA-N 1 2 309.370 1.019 20 5 DDBDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602447943 358983642 /nfs/dbraw/zinc/98/36/42/358983642.db2.gz HTCLUUBQRVRJMR-UHFFFAOYSA-N 1 2 309.370 1.019 20 5 DDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000602680863 359121568 /nfs/dbraw/zinc/12/15/68/359121568.db2.gz WCXFPERRORJECO-LLVKDONJSA-N 1 2 320.267 1.807 20 5 DDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000602680863 359121574 /nfs/dbraw/zinc/12/15/74/359121574.db2.gz WCXFPERRORJECO-LLVKDONJSA-N 1 2 320.267 1.807 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nnc3n1CCCC3)CC2 ZINC000612469202 361032558 /nfs/dbraw/zinc/03/25/58/361032558.db2.gz OUFJEPOLZCTPSU-UHFFFAOYSA-N 1 2 314.349 1.476 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nnc3n1CCCC3)CC2 ZINC000612469202 361032562 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C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000157329758 197180116 /nfs/dbraw/zinc/18/01/16/197180116.db2.gz RGCPYKOWDPXWIL-TZMCWYRMSA-N 1 2 310.350 1.445 20 5 DDBDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000157329758 197180118 /nfs/dbraw/zinc/18/01/18/197180118.db2.gz RGCPYKOWDPXWIL-TZMCWYRMSA-N 1 2 310.350 1.445 20 5 DDBDLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000154943986 197007054 /nfs/dbraw/zinc/00/70/54/197007054.db2.gz MVYCXAUWATZNIF-UHFFFAOYSA-N 1 2 317.349 1.844 20 5 DDBDLO O=c1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH][nH]1 ZINC000289481987 221007657 /nfs/dbraw/zinc/00/76/57/221007657.db2.gz RTVDSMSCQLUNLX-SNVBAGLBSA-N 1 2 321.312 1.525 20 5 DDBDLO O=c1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH][nH]1 ZINC000289481987 221007660 /nfs/dbraw/zinc/00/76/60/221007660.db2.gz RTVDSMSCQLUNLX-SNVBAGLBSA-N 1 2 321.312 1.525 20 5 DDBDLO Cc1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000271192571 407567323 /nfs/dbraw/zinc/56/73/23/407567323.db2.gz QHHCLOQRJJWMDD-UHFFFAOYSA-N 1 2 320.393 1.285 20 5 DDBDLO Cc1ccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000271192571 407567329 /nfs/dbraw/zinc/56/73/29/407567329.db2.gz QHHCLOQRJJWMDD-UHFFFAOYSA-N 1 2 320.393 1.285 20 5 DDBDLO Cc1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000010165107 406819784 /nfs/dbraw/zinc/81/97/84/406819784.db2.gz TUMFKJIZMHTGGP-UHFFFAOYSA-N 1 2 314.301 1.667 20 5 DDBDLO COCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032486425 406948134 /nfs/dbraw/zinc/94/81/34/406948134.db2.gz OIDRNXAHNRLCJG-UHFFFAOYSA-N 1 2 304.306 1.547 20 5 DDBDLO O=C1NCCN1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054271514 407181093 /nfs/dbraw/zinc/18/10/93/407181093.db2.gz FKOZPIPAFUJLFW-UHFFFAOYSA-N 1 2 310.379 1.646 20 5 DDBDLO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066836012 407260927 /nfs/dbraw/zinc/26/09/27/407260927.db2.gz WBPOKSDOIZJVPL-LLVKDONJSA-N 1 2 321.333 1.418 20 5 DDBDLO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066836012 407260929 /nfs/dbraw/zinc/26/09/29/407260929.db2.gz WBPOKSDOIZJVPL-LLVKDONJSA-N 1 2 321.333 1.418 20 5 DDBDLO COc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000195477578 407460493 /nfs/dbraw/zinc/46/04/93/407460493.db2.gz CCVVAVZEIUFOFF-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000115164305 407658585 /nfs/dbraw/zinc/65/85/85/407658585.db2.gz BMGUCSXMBYKYLC-SNVBAGLBSA-N 1 2 311.363 1.249 20 5 DDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000115164305 407658587 /nfs/dbraw/zinc/65/85/87/407658587.db2.gz BMGUCSXMBYKYLC-SNVBAGLBSA-N 1 2 311.363 1.249 20 5 DDBDLO COCCCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355619 407807768 /nfs/dbraw/zinc/80/77/68/407807768.db2.gz YCFMJVHUHRICJT-UHFFFAOYSA-N 1 2 307.350 1.106 20 5 DDBDLO COCCCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355619 407807769 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CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269678954 408389684 /nfs/dbraw/zinc/38/96/84/408389684.db2.gz XOOQGCUWGSKLFO-ZIAGYGMSSA-N 1 2 307.350 1.085 20 5 DDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000183584462 408447506 /nfs/dbraw/zinc/44/75/06/408447506.db2.gz LXEVTQQSIVOFHK-LLVKDONJSA-N 1 2 316.321 1.883 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247366736 408457420 /nfs/dbraw/zinc/45/74/20/408457420.db2.gz OWWZNEVORHAKBI-HZPDHXFCSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247366736 408457424 /nfs/dbraw/zinc/45/74/24/408457424.db2.gz OWWZNEVORHAKBI-HZPDHXFCSA-N 1 2 322.361 1.983 20 5 DDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000159294786 408400841 /nfs/dbraw/zinc/40/08/41/408400841.db2.gz KCSRRQLGBLMZAS-UHFFFAOYSA-N 1 2 314.305 1.406 20 5 DDBDLO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000192637796 408621118 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O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CN3CC[NH+]2CC3)s1 ZINC000286216568 408943552 /nfs/dbraw/zinc/94/35/52/408943552.db2.gz NFPTWEJHKMKSQH-SECBINFHSA-N 1 2 320.378 1.011 20 5 DDBDLO CS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000282117560 408994344 /nfs/dbraw/zinc/99/43/44/408994344.db2.gz JHQPXEOBGNBYLV-ZDUSSCGKSA-N 1 2 314.363 1.093 20 5 DDBDLO CS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000282117560 408994348 /nfs/dbraw/zinc/99/43/48/408994348.db2.gz JHQPXEOBGNBYLV-ZDUSSCGKSA-N 1 2 314.363 1.093 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000288386875 409163735 /nfs/dbraw/zinc/16/37/35/409163735.db2.gz MBQXFKDCUWFYCD-NEPJUHHUSA-N 1 2 319.361 1.999 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283980636 409252048 /nfs/dbraw/zinc/25/20/48/409252048.db2.gz HHDYXFJRSOJGFJ-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283980636 409252051 /nfs/dbraw/zinc/25/20/51/409252051.db2.gz HHDYXFJRSOJGFJ-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284167645 409288970 /nfs/dbraw/zinc/28/89/70/409288970.db2.gz RIWLZCTUOUMOJU-UONOGXRCSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284167645 409288972 /nfs/dbraw/zinc/28/89/72/409288972.db2.gz RIWLZCTUOUMOJU-UONOGXRCSA-N 1 2 305.334 1.140 20 5 DDBDLO CO[C@H]1COC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000290210341 409321985 /nfs/dbraw/zinc/32/19/85/409321985.db2.gz VAKOPTPUZPLHNC-RYUDHWBXSA-N 1 2 320.305 1.148 20 5 DDBDLO Cc1cc(Cc2noc([C@@H]3C[N@H+](C)CCO3)n2)ccc1[N+](=O)[O-] ZINC000351207033 410046909 /nfs/dbraw/zinc/04/69/09/410046909.db2.gz AFMSINFDPURCDI-ZDUSSCGKSA-N 1 2 318.333 1.880 20 5 DDBDLO Cc1cc(Cc2noc([C@@H]3C[N@@H+](C)CCO3)n2)ccc1[N+](=O)[O-] ZINC000351207033 410046913 /nfs/dbraw/zinc/04/69/13/410046913.db2.gz AFMSINFDPURCDI-ZDUSSCGKSA-N 1 2 318.333 1.880 20 5 DDBDLO C[C@@H]1C[N@H+](CCN2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000332604588 410191382 /nfs/dbraw/zinc/19/13/82/410191382.db2.gz OEOALANOGJLCBK-CYBMUJFWSA-N 1 2 305.378 1.674 20 5 DDBDLO C[C@@H]1C[N@@H+](CCN2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000332604588 410191384 /nfs/dbraw/zinc/19/13/84/410191384.db2.gz OEOALANOGJLCBK-CYBMUJFWSA-N 1 2 305.378 1.674 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358119647 410370722 /nfs/dbraw/zinc/37/07/22/410370722.db2.gz PITBZDVRYLYPNA-UHFFFAOYSA-N 1 2 315.333 1.596 20 5 DDBDLO COc1c(C(=O)N2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000358161249 410389488 /nfs/dbraw/zinc/38/94/88/410389488.db2.gz FHRMVDSYMZTSEA-UHFFFAOYSA-N 1 2 302.290 1.456 20 5 DDBDLO CNC(=O)c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299058340 410500778 /nfs/dbraw/zinc/50/07/78/410500778.db2.gz KSKQLOXEXGKBFS-UHFFFAOYSA-N 1 2 303.322 1.653 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000347517084 410594602 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O=[N+]([O-])c1cnc2ccc(N3CCC(n4cc[nH+]c4)CC3)nn21 ZINC000301832991 410810228 /nfs/dbraw/zinc/81/02/28/410810228.db2.gz JLFYAWLZSXKFRJ-UHFFFAOYSA-N 1 2 313.321 1.676 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330656700 410852975 /nfs/dbraw/zinc/85/29/75/410852975.db2.gz QRVXKPOASDWROL-GWCFXTLKSA-N 1 2 313.379 1.409 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330656700 410852981 /nfs/dbraw/zinc/85/29/81/410852981.db2.gz QRVXKPOASDWROL-GWCFXTLKSA-N 1 2 313.379 1.409 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000348351913 410928050 /nfs/dbraw/zinc/92/80/50/410928050.db2.gz YTRKAAURENUCPU-UHFFFAOYSA-N 1 2 316.317 1.727 20 5 DDBDLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000294785654 533678892 /nfs/dbraw/zinc/67/88/92/533678892.db2.gz LNPAAZALGNXWDI-UHFFFAOYSA-N 1 2 303.322 1.889 20 5 DDBDLO Cc1nc(N2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000296590556 226026921 /nfs/dbraw/zinc/02/69/21/226026921.db2.gz RZFREBXGKUVKNR-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419322454 226114486 /nfs/dbraw/zinc/11/44/86/226114486.db2.gz HKDGQTWFYUWDMQ-KGLIPLIRSA-N 1 2 323.393 1.361 20 5 DDBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419322454 226114489 /nfs/dbraw/zinc/11/44/89/226114489.db2.gz HKDGQTWFYUWDMQ-KGLIPLIRSA-N 1 2 323.393 1.361 20 5 DDBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000366653026 418500964 /nfs/dbraw/zinc/50/09/64/418500964.db2.gz LXSBDQUXFPKHBU-NSHDSACASA-N 1 2 312.329 1.943 20 5 DDBDLO Cc1ccc(C[N@@H+](CCO)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000361084468 418580591 /nfs/dbraw/zinc/58/05/91/418580591.db2.gz BDJZBKQBNMYTGJ-UHFFFAOYSA-N 1 2 304.350 1.631 20 5 DDBDLO Cc1ccc(C[N@H+](CCO)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000361084468 418580594 /nfs/dbraw/zinc/58/05/94/418580594.db2.gz BDJZBKQBNMYTGJ-UHFFFAOYSA-N 1 2 304.350 1.631 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189819941 222058645 /nfs/dbraw/zinc/05/86/45/222058645.db2.gz MIGZUHHGJHDCOT-OAHLLOKOSA-N 1 2 321.377 1.820 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189819941 222058646 /nfs/dbraw/zinc/05/86/46/222058646.db2.gz MIGZUHHGJHDCOT-OAHLLOKOSA-N 1 2 321.377 1.820 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571831484 304489824 /nfs/dbraw/zinc/48/98/24/304489824.db2.gz CAFCYMQQHRCYRI-UHFFFAOYSA-N 1 2 314.305 1.064 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000361472558 418658540 /nfs/dbraw/zinc/65/85/40/418658540.db2.gz YUBOSIVBQGVAHA-GFCCVEGCSA-N 1 2 317.349 1.377 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000361472558 418658542 /nfs/dbraw/zinc/65/85/42/418658542.db2.gz YUBOSIVBQGVAHA-GFCCVEGCSA-N 1 2 317.349 1.377 20 5 DDBDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC000364794640 418810946 /nfs/dbraw/zinc/81/09/46/418810946.db2.gz SRCBEOLBZCQKOE-CQSZACIVSA-N 1 2 309.297 1.808 20 5 DDBDLO O=C1NC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC000364794640 418810949 /nfs/dbraw/zinc/81/09/49/418810949.db2.gz SRCBEOLBZCQKOE-CQSZACIVSA-N 1 2 309.297 1.808 20 5 DDBDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354283 418860395 /nfs/dbraw/zinc/86/03/95/418860395.db2.gz IWVNDPRTWKXQLV-RYUDHWBXSA-N 1 2 310.354 1.770 20 5 DDBDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354283 418860396 /nfs/dbraw/zinc/86/03/96/418860396.db2.gz IWVNDPRTWKXQLV-RYUDHWBXSA-N 1 2 310.354 1.770 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420981236 419403810 /nfs/dbraw/zinc/40/38/10/419403810.db2.gz FZQDYYZXNWDFEI-MFKMUULPSA-N 1 2 320.349 1.132 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420981236 419403816 /nfs/dbraw/zinc/40/38/16/419403816.db2.gz FZQDYYZXNWDFEI-MFKMUULPSA-N 1 2 320.349 1.132 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411955224 419520123 /nfs/dbraw/zinc/52/01/23/419520123.db2.gz VJYPDFKTWXEUCN-QWHCGFSZSA-N 1 2 302.334 1.636 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411955224 419520132 /nfs/dbraw/zinc/52/01/32/419520132.db2.gz VJYPDFKTWXEUCN-QWHCGFSZSA-N 1 2 302.334 1.636 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421576367 419640874 /nfs/dbraw/zinc/64/08/74/419640874.db2.gz MADAPHHZWAOFLQ-UHFFFAOYSA-N 1 2 317.349 1.818 20 5 DDBDLO CC[C@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000421882439 419756388 /nfs/dbraw/zinc/75/63/88/419756388.db2.gz SCTRHFCVPKZZBY-KBPBESRZSA-N 1 2 304.350 1.778 20 5 DDBDLO CN(C)c1[nH+]cccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427991598 419782903 /nfs/dbraw/zinc/78/29/03/419782903.db2.gz KUPBUMPDSPAILI-UHFFFAOYSA-N 1 2 312.333 1.966 20 5 DDBDLO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430192607 420087890 /nfs/dbraw/zinc/08/78/90/420087890.db2.gz CHQRVVNGIJNHES-SMDDNHRTSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430192607 420087895 /nfs/dbraw/zinc/08/78/95/420087895.db2.gz CHQRVVNGIJNHES-SMDDNHRTSA-N 1 2 310.350 1.839 20 5 DDBDLO CNc1[nH+]cnc2c1cnn2Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000435788768 420284761 /nfs/dbraw/zinc/28/47/61/420284761.db2.gz FWLPGVNCGPCIHL-UHFFFAOYSA-N 1 2 314.305 1.833 20 5 DDBDLO Cc1cc(S(=O)(=O)NCCn2cc[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000416372414 420347464 /nfs/dbraw/zinc/34/74/64/420347464.db2.gz NJYSRHHLJCHKQP-UHFFFAOYSA-N 1 2 324.362 1.387 20 5 DDBDLO O=C(C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425549808 420416312 /nfs/dbraw/zinc/41/63/12/420416312.db2.gz OGQAUXUGRDDCNU-SNVBAGLBSA-N 1 2 316.321 1.141 20 5 DDBDLO O=C(C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425549808 420416315 /nfs/dbraw/zinc/41/63/15/420416315.db2.gz OGQAUXUGRDDCNU-SNVBAGLBSA-N 1 2 316.321 1.141 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000446329325 230253540 /nfs/dbraw/zinc/25/35/40/230253540.db2.gz DDVVPSNVMOWQAM-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440498002 420579609 /nfs/dbraw/zinc/57/96/09/420579609.db2.gz UDSDTBSXUVPWMK-AAEUAGOBSA-N 1 2 322.365 1.818 20 5 DDBDLO CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440498002 420579614 /nfs/dbraw/zinc/57/96/14/420579614.db2.gz UDSDTBSXUVPWMK-AAEUAGOBSA-N 1 2 322.365 1.818 20 5 DDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449650329 421045188 /nfs/dbraw/zinc/04/51/88/421045188.db2.gz KZHLYJWTOYYCCJ-NSHDSACASA-N 1 2 313.304 1.498 20 5 DDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1[nH]cc[nH+]1 ZINC000516581802 421553942 /nfs/dbraw/zinc/55/39/42/421553942.db2.gz AGFZBSZIAQWBGT-MRVPVSSYSA-N 1 2 318.289 1.580 20 5 DDBDLO Cc1sc(C(=O)NCc2c[nH+]c(C)nc2N)cc1[N+](=O)[O-] ZINC000552020312 421567980 /nfs/dbraw/zinc/56/79/80/421567980.db2.gz HOZNAXHEHXQYGH-UHFFFAOYSA-N 1 2 307.335 1.575 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(n2cc[nH+]c2)C1 ZINC000557604223 421780620 /nfs/dbraw/zinc/78/06/20/421780620.db2.gz SBVVQNHBMNCGKZ-UHFFFAOYSA-N 1 2 316.317 1.948 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000592799764 422335667 /nfs/dbraw/zinc/33/56/67/422335667.db2.gz ZIDQLJQBBGDZKV-UHFFFAOYSA-N 1 2 315.333 1.822 20 5 DDBDLO CC(C)CNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347045 263249479 /nfs/dbraw/zinc/24/94/79/263249479.db2.gz HUYQBSJPIQWWKU-UHFFFAOYSA-N 1 2 322.365 1.508 20 5 DDBDLO CC(C)CNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347045 263249480 /nfs/dbraw/zinc/24/94/80/263249480.db2.gz HUYQBSJPIQWWKU-UHFFFAOYSA-N 1 2 322.365 1.508 20 5 DDBDLO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181950507 263372009 /nfs/dbraw/zinc/37/20/09/263372009.db2.gz QULKCOGRAKTOBR-UHFFFAOYSA-N 1 2 307.350 1.762 20 5 DDBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1n1cc[nH+]c1 ZINC000356735749 298861689 /nfs/dbraw/zinc/86/16/89/298861689.db2.gz YZSHABLQBCAUSZ-ZYHUDNBSSA-N 1 2 318.337 1.248 20 5 DDBDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000362434293 300062037 /nfs/dbraw/zinc/06/20/37/300062037.db2.gz RMBWJUHRUCVAFZ-LLVKDONJSA-N 1 2 301.306 1.234 20 5 DDBDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000362434293 300062039 /nfs/dbraw/zinc/06/20/39/300062039.db2.gz RMBWJUHRUCVAFZ-LLVKDONJSA-N 1 2 301.306 1.234 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000364386832 300388086 /nfs/dbraw/zinc/38/80/86/300388086.db2.gz FIHBNYWRSBPJCW-SNVBAGLBSA-N 1 2 316.317 1.664 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000378398043 302321552 /nfs/dbraw/zinc/32/15/52/302321552.db2.gz GSEGRGPORSGCQA-HNNXBMFYSA-N 1 2 321.377 1.380 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000522919792 302892914 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COC(=O)C[N@H+]1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000365039781 307057471 /nfs/dbraw/zinc/05/74/71/307057471.db2.gz TZRITNLFXZZFRD-UHFFFAOYSA-N 1 2 307.350 1.588 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000374524095 307209476 /nfs/dbraw/zinc/20/94/76/307209476.db2.gz UZCZXSPGTYDAAW-JHJVBQTASA-N 1 2 309.753 1.478 20 5 DDBDLO CCc1n[nH]c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000378264478 307284335 /nfs/dbraw/zinc/28/43/35/307284335.db2.gz RHEOCSIVLXLTKK-SECBINFHSA-N 1 2 318.337 1.244 20 5 DDBDLO CCc1[nH]nc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000378264478 307284336 /nfs/dbraw/zinc/28/43/36/307284336.db2.gz RHEOCSIVLXLTKK-SECBINFHSA-N 1 2 318.337 1.244 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000577349453 308380566 /nfs/dbraw/zinc/38/05/66/308380566.db2.gz SVKNAZHJDHEKOE-LSDHHAIUSA-N 1 2 314.345 1.791 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093333356 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20 5 DDBDLO NC(=O)N1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361274550 418616635 /nfs/dbraw/zinc/61/66/35/418616635.db2.gz SBPNKZNBAALEKS-UHFFFAOYSA-N 1 2 318.337 1.058 20 5 DDBDLO NC(=O)N1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361274550 418616637 /nfs/dbraw/zinc/61/66/37/418616637.db2.gz SBPNKZNBAALEKS-UHFFFAOYSA-N 1 2 318.337 1.058 20 5 DDBDLO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)Cn1cc[nH+]c1 ZINC000347398276 418638815 /nfs/dbraw/zinc/63/88/15/418638815.db2.gz IHCSPZNHIPWOTP-LLVKDONJSA-N 1 2 312.333 2.483 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000372334082 418857490 /nfs/dbraw/zinc/85/74/90/418857490.db2.gz QDKIMZBNDUHSCH-NSHDSACASA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000372334082 418857491 /nfs/dbraw/zinc/85/74/91/418857491.db2.gz QDKIMZBNDUHSCH-NSHDSACASA-N 1 2 300.318 1.914 20 5 DDBDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568458 419347032 /nfs/dbraw/zinc/34/70/32/419347032.db2.gz KVKWBOOISAZWLH-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568458 419347034 /nfs/dbraw/zinc/34/70/34/419347034.db2.gz KVKWBOOISAZWLH-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000426058574 419384507 /nfs/dbraw/zinc/38/45/07/419384507.db2.gz BUEYWLRIJUISGA-NSHDSACASA-N 1 2 301.306 1.928 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000411909625 419470028 /nfs/dbraw/zinc/47/00/28/419470028.db2.gz JSXNXKXGVBUGHV-QWRGUYRKSA-N 1 2 314.313 1.324 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000411909625 419470037 /nfs/dbraw/zinc/47/00/37/419470037.db2.gz JSXNXKXGVBUGHV-QWRGUYRKSA-N 1 2 314.313 1.324 20 5 DDBDLO Cc1c(CNc2cc(NC[C@H](C)O)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000413270943 419779111 /nfs/dbraw/zinc/77/91/11/419779111.db2.gz WEKYGCAVBQCUCS-JTQLQIEISA-N 1 2 317.349 2.098 20 5 DDBDLO Cc1c(CNc2cc(NC[C@H](C)O)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000413270943 419779117 /nfs/dbraw/zinc/77/91/17/419779117.db2.gz WEKYGCAVBQCUCS-JTQLQIEISA-N 1 2 317.349 2.098 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000434713850 229325766 /nfs/dbraw/zinc/32/57/66/229325766.db2.gz KWRNZEJWHDANBM-GFCCVEGCSA-N 1 2 311.357 1.886 20 5 DDBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000434713850 229325770 /nfs/dbraw/zinc/32/57/70/229325770.db2.gz KWRNZEJWHDANBM-GFCCVEGCSA-N 1 2 311.357 1.886 20 5 DDBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000434713850 229325772 /nfs/dbraw/zinc/32/57/72/229325772.db2.gz KWRNZEJWHDANBM-GFCCVEGCSA-N 1 2 311.357 1.886 20 5 DDBDLO O=C(CCn1cc[nH+]c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444633528 230114806 /nfs/dbraw/zinc/11/48/06/230114806.db2.gz UGRKLBSTERZGPO-UHFFFAOYSA-N 1 2 314.305 1.374 20 5 DDBDLO Nc1nc(N2CCCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000302222547 230179306 /nfs/dbraw/zinc/17/93/06/230179306.db2.gz MXVCYEYUEJXOEY-UHFFFAOYSA-N 1 2 315.337 1.079 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000448620434 420873390 /nfs/dbraw/zinc/87/33/90/420873390.db2.gz DRGMKKUIDCFXDZ-NSHDSACASA-N 1 2 316.317 1.641 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000505642388 421420202 /nfs/dbraw/zinc/42/02/02/421420202.db2.gz WRYRXRJHSXBOCL-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO Nc1nccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000548412299 421435088 /nfs/dbraw/zinc/43/50/88/421435088.db2.gz MOYDWDCPONEESE-UHFFFAOYSA-N 1 2 324.300 2.010 20 5 DDBDLO Cc1nc(N)c(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000552189101 421579587 /nfs/dbraw/zinc/57/95/87/421579587.db2.gz LIVPYYFWURRAKH-UHFFFAOYSA-N 1 2 305.269 1.345 20 5 DDBDLO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CC(C)C1 ZINC000553543627 421619452 /nfs/dbraw/zinc/61/94/52/421619452.db2.gz AXFILQCATKJIIE-SECBINFHSA-N 1 2 303.322 1.750 20 5 DDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000571701423 421737678 /nfs/dbraw/zinc/73/76/78/421737678.db2.gz XHKDCMRCUDKRAQ-SECBINFHSA-N 1 2 318.337 1.739 20 5 DDBDLO Cn1nc(C2CC2)nc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000521868559 421802546 /nfs/dbraw/zinc/80/25/46/421802546.db2.gz CSAFLSRZINTRBV-UHFFFAOYSA-N 1 2 314.349 1.554 20 5 DDBDLO Cn1nc(C2CC2)nc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000521868559 421802547 /nfs/dbraw/zinc/80/25/47/421802547.db2.gz CSAFLSRZINTRBV-UHFFFAOYSA-N 1 2 314.349 1.554 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592201105 422331945 /nfs/dbraw/zinc/33/19/45/422331945.db2.gz URTACVVQTHFGHB-CMPLNLGQSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592201105 422331950 /nfs/dbraw/zinc/33/19/50/422331950.db2.gz URTACVVQTHFGHB-CMPLNLGQSA-N 1 2 312.297 1.090 20 5 DDBDLO Nc1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1[N+](=O)[O-] ZINC000590580703 422320921 /nfs/dbraw/zinc/32/09/21/422320921.db2.gz HDAFOQMOKORISG-UHFFFAOYSA-N 1 2 310.317 2.370 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2Cc3cccnc3C2)c1 ZINC000577873183 422447272 /nfs/dbraw/zinc/44/72/72/422447272.db2.gz RZLFOAWNRWMQPM-AWEZNQCLSA-N 1 2 315.329 1.745 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2Cc3cccnc3C2)c1 ZINC000577873183 422447276 /nfs/dbraw/zinc/44/72/76/422447276.db2.gz RZLFOAWNRWMQPM-AWEZNQCLSA-N 1 2 315.329 1.745 20 5 DDBDLO CC(=O)c1cc(NCC[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000341971634 271262263 /nfs/dbraw/zinc/26/22/63/271262263.db2.gz LLBSHMCRDUODFA-LLVKDONJSA-N 1 2 307.350 1.930 20 5 DDBDLO CC(=O)c1cc(NCC[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000341971634 271262264 /nfs/dbraw/zinc/26/22/64/271262264.db2.gz LLBSHMCRDUODFA-LLVKDONJSA-N 1 2 307.350 1.930 20 5 DDBDLO CC(C)NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016565552 277653480 /nfs/dbraw/zinc/65/34/80/277653480.db2.gz SNQAWPOYLUPLTG-UHFFFAOYSA-N 1 2 306.366 1.241 20 5 DDBDLO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1C ZINC000331106883 280007504 /nfs/dbraw/zinc/00/75/04/280007504.db2.gz ADTMQEKDURSIGM-ZDUSSCGKSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1C ZINC000331106883 280007506 /nfs/dbraw/zinc/00/75/06/280007506.db2.gz ADTMQEKDURSIGM-ZDUSSCGKSA-N 1 2 307.350 1.713 20 5 DDBDLO COCCC(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355042797 298613965 /nfs/dbraw/zinc/61/39/65/298613965.db2.gz DVBHOOXLOMNZMZ-UHFFFAOYSA-N 1 2 307.350 1.276 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000368825965 301093437 /nfs/dbraw/zinc/09/34/37/301093437.db2.gz PDZFQZCLOUECHW-LLVKDONJSA-N 1 2 317.349 1.605 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000370055754 301267968 /nfs/dbraw/zinc/26/79/68/301267968.db2.gz MVYRDLTUICSKQF-GFCCVEGCSA-N 1 2 321.381 1.305 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000370055754 301267970 /nfs/dbraw/zinc/26/79/70/301267970.db2.gz MVYRDLTUICSKQF-GFCCVEGCSA-N 1 2 321.381 1.305 20 5 DDBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378480031 302332315 /nfs/dbraw/zinc/33/23/15/302332315.db2.gz DMXWSCXXONTMMF-ZIAGYGMSSA-N 1 2 308.334 1.747 20 5 DDBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378480031 302332317 /nfs/dbraw/zinc/33/23/17/302332317.db2.gz DMXWSCXXONTMMF-ZIAGYGMSSA-N 1 2 308.334 1.747 20 5 DDBDLO Cc1nn(C)c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000194702529 302734402 /nfs/dbraw/zinc/73/44/02/302734402.db2.gz XSSZEMCGBRMVRE-SNVBAGLBSA-N 1 2 318.337 1.727 20 5 DDBDLO O=C(CCc1[nH]cc[nH+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000562178688 303850569 /nfs/dbraw/zinc/85/05/69/303850569.db2.gz VIGSIMNUIYKRKU-UHFFFAOYSA-N 1 2 303.322 1.479 20 5 DDBDLO CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000363679603 307033352 /nfs/dbraw/zinc/03/33/52/307033352.db2.gz QHFDLQBLRYWLGM-QWHCGFSZSA-N 1 2 304.350 1.174 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000364805372 307051835 /nfs/dbraw/zinc/05/18/35/307051835.db2.gz HFJPIQPARPKHDM-WDEREUQCSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000364805372 307051836 /nfs/dbraw/zinc/05/18/36/307051836.db2.gz HFJPIQPARPKHDM-WDEREUQCSA-N 1 2 305.334 1.657 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000364815874 307052009 /nfs/dbraw/zinc/05/20/09/307052009.db2.gz SXQAFWBMEAPAHN-SECBINFHSA-N 1 2 301.306 1.309 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000364815874 307052010 /nfs/dbraw/zinc/05/20/10/307052010.db2.gz SXQAFWBMEAPAHN-SECBINFHSA-N 1 2 301.306 1.309 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000365084076 307058269 /nfs/dbraw/zinc/05/82/69/307058269.db2.gz ZRGFRRICTHBNHQ-CYBMUJFWSA-N 1 2 314.345 1.773 20 5 DDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000367743047 307103251 /nfs/dbraw/zinc/10/32/51/307103251.db2.gz YNYFQENWCHMROP-GHMZBOCLSA-N 1 2 309.322 1.123 20 5 DDBDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000376544873 307246560 /nfs/dbraw/zinc/24/65/60/307246560.db2.gz FUBMXRZWYYPMDX-GFCCVEGCSA-N 1 2 324.333 1.238 20 5 DDBDLO COC(=O)C[C@@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000376544873 307246561 /nfs/dbraw/zinc/24/65/61/307246561.db2.gz FUBMXRZWYYPMDX-GFCCVEGCSA-N 1 2 324.333 1.238 20 5 DDBDLO O=C(NCc1cccnn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000436219977 307305842 /nfs/dbraw/zinc/30/58/42/307305842.db2.gz NXUMNRAMYNRBBP-UHFFFAOYSA-N 1 2 324.300 1.501 20 5 DDBDLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000516520741 307416789 /nfs/dbraw/zinc/41/67/89/307416789.db2.gz OTYHBGHVBANXST-LLVKDONJSA-N 1 2 300.318 1.937 20 5 DDBDLO COC(=O)COc1ccc(CNc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000562212330 307931982 /nfs/dbraw/zinc/93/19/82/307931982.db2.gz NPLOMCRJZUFEBM-UHFFFAOYSA-N 1 2 306.278 1.482 20 5 DDBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000570000420 308156284 /nfs/dbraw/zinc/15/62/84/308156284.db2.gz NSOLFDQBVDOSHG-SNVBAGLBSA-N 1 2 317.349 1.637 20 5 DDBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000570000420 308156285 /nfs/dbraw/zinc/15/62/85/308156285.db2.gz NSOLFDQBVDOSHG-SNVBAGLBSA-N 1 2 317.349 1.637 20 5 DDBDLO C[C@@H](CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21)c1nn[nH]n1 ZINC000413223390 533751765 /nfs/dbraw/zinc/75/17/65/533751765.db2.gz CYLYQHHSOFDPFV-VIFPVBQESA-N 1 2 313.321 1.896 20 5 DDBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CC(N2CCNC2=O)C1 ZINC000459558914 527500573 /nfs/dbraw/zinc/50/05/73/527500573.db2.gz LVTUOAKRNOHEJU-GHXNOFRVSA-N 1 2 316.361 1.708 20 5 DDBDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332546801 527721909 /nfs/dbraw/zinc/72/19/09/527721909.db2.gz NHMUKTLGXNTYMG-HNNXBMFYSA-N 1 2 319.361 1.200 20 5 DDBDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332546801 527721912 /nfs/dbraw/zinc/72/19/12/527721912.db2.gz NHMUKTLGXNTYMG-HNNXBMFYSA-N 1 2 319.361 1.200 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000776278519 698091310 /nfs/dbraw/zinc/09/13/10/698091310.db2.gz UBSKGYJPAALBID-OWCLPIDISA-N 1 2 322.361 1.508 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000776278519 698091313 /nfs/dbraw/zinc/09/13/13/698091313.db2.gz UBSKGYJPAALBID-OWCLPIDISA-N 1 2 322.361 1.508 20 5 DDBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597979 698125515 /nfs/dbraw/zinc/12/55/15/698125515.db2.gz NFUJIZINJBECBO-ZIAGYGMSSA-N 1 2 317.349 1.594 20 5 DDBDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597979 698125518 /nfs/dbraw/zinc/12/55/18/698125518.db2.gz NFUJIZINJBECBO-ZIAGYGMSSA-N 1 2 317.349 1.594 20 5 DDBDLO CCC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675826 699091279 /nfs/dbraw/zinc/09/12/79/699091279.db2.gz MXWMPXHLKWPJSQ-UHFFFAOYSA-N 1 2 303.274 1.916 20 5 DDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000787305386 699204466 /nfs/dbraw/zinc/20/44/66/699204466.db2.gz AZFFGAURGVSHHF-SECBINFHSA-N 1 2 301.306 1.118 20 5 DDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741145290 699817459 /nfs/dbraw/zinc/81/74/59/699817459.db2.gz QXEXDZTYIZYGLY-CYBMUJFWSA-N 1 2 321.333 1.561 20 5 DDBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741145290 699817461 /nfs/dbraw/zinc/81/74/61/699817461.db2.gz QXEXDZTYIZYGLY-CYBMUJFWSA-N 1 2 321.333 1.561 20 5 DDBDLO CC[N@H+](C[C@H]1CCCO1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794624498 699819481 /nfs/dbraw/zinc/81/94/81/699819481.db2.gz WQBAZOMPOFYWNQ-LLVKDONJSA-N 1 2 321.333 1.961 20 5 DDBDLO CC[N@@H+](C[C@H]1CCCO1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794624498 699819482 /nfs/dbraw/zinc/81/94/82/699819482.db2.gz WQBAZOMPOFYWNQ-LLVKDONJSA-N 1 2 321.333 1.961 20 5 DDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCNC1=O ZINC000751472679 700292992 /nfs/dbraw/zinc/29/29/92/700292992.db2.gz WOURTHZOJHXYSB-LBPRGKRZSA-N 1 2 318.333 1.837 20 5 DDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCNC1=O ZINC000751472679 700292994 /nfs/dbraw/zinc/29/29/94/700292994.db2.gz WOURTHZOJHXYSB-LBPRGKRZSA-N 1 2 318.333 1.837 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N(C)C)c2)n1 ZINC000755577747 700571632 /nfs/dbraw/zinc/57/16/32/700571632.db2.gz VMVOANMKKAAFIY-UHFFFAOYSA-N 1 2 319.321 1.629 20 5 DDBDLO CN(CCCn1cc[nH+]c1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000767814772 701138362 /nfs/dbraw/zinc/13/83/62/701138362.db2.gz RBODYOCNIKLKHX-UHFFFAOYSA-N 1 2 300.322 1.966 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830866163 706594074 /nfs/dbraw/zinc/59/40/74/706594074.db2.gz UNERWKPWCVDQPO-MNOVXSKESA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830866163 706594078 /nfs/dbraw/zinc/59/40/78/706594078.db2.gz UNERWKPWCVDQPO-MNOVXSKESA-N 1 2 312.297 1.090 20 5 DDBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533244 701726953 /nfs/dbraw/zinc/72/69/53/701726953.db2.gz QOKSYPRJRSERCJ-PSASIEDQSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533244 701726957 /nfs/dbraw/zinc/72/69/57/701726957.db2.gz QOKSYPRJRSERCJ-PSASIEDQSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533245 701727026 /nfs/dbraw/zinc/72/70/26/701727026.db2.gz QOKSYPRJRSERCJ-SCZZXKLOSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533245 701727029 /nfs/dbraw/zinc/72/70/29/701727029.db2.gz QOKSYPRJRSERCJ-SCZZXKLOSA-N 1 2 313.741 1.642 20 5 DDBDLO COCC[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812886259 702257871 /nfs/dbraw/zinc/25/78/71/702257871.db2.gz CCOZOLRSURHRHZ-GJZGRUSLSA-N 1 2 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DDBDLO CC(C)OC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000899901052 709231197 /nfs/dbraw/zinc/23/11/97/709231197.db2.gz BPCCYQNENCRHHN-CYBMUJFWSA-N 1 2 310.350 1.444 20 5 DDBDLO C/C(=C/C(=O)NCc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000900241239 709501525 /nfs/dbraw/zinc/50/15/25/709501525.db2.gz QRLZUFVKCGDBJG-RAXLEYEMSA-N 1 2 319.361 1.490 20 5 DDBDLO COc1c(O)ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000893555257 710705330 /nfs/dbraw/zinc/70/53/30/710705330.db2.gz GELHRZHOFRWBJB-FPVGNUTFSA-N 1 2 316.379 1.508 20 5 DDBDLO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000893555257 710705334 /nfs/dbraw/zinc/70/53/34/710705334.db2.gz GELHRZHOFRWBJB-FPVGNUTFSA-N 1 2 316.379 1.508 20 5 DDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000928637008 713244533 /nfs/dbraw/zinc/24/45/33/713244533.db2.gz RSRXKYJFSYNGLX-LBPRGKRZSA-N 1 2 307.350 1.435 20 5 DDBDLO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930223448 713780755 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CCn1cc[nH+]c1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296391549 529573980 /nfs/dbraw/zinc/57/39/80/529573980.db2.gz PPHUDSBNHSSXKN-UHFFFAOYSA-N 1 2 303.322 1.811 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(C2CC2)CC1 ZINC000181593972 199323970 /nfs/dbraw/zinc/32/39/70/199323970.db2.gz KFPTZLYKXZNTDX-AWEZNQCLSA-N 1 2 321.377 1.115 20 5 DDBDLO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000458212181 530054733 /nfs/dbraw/zinc/05/47/33/530054733.db2.gz LXNOXMURFKCZDV-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000458212181 530054734 /nfs/dbraw/zinc/05/47/34/530054734.db2.gz LXNOXMURFKCZDV-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])c1C ZINC000179719177 186209730 /nfs/dbraw/zinc/20/97/30/186209730.db2.gz HANUNSBZIQUKPX-UHFFFAOYSA-N 1 2 319.321 1.611 20 5 DDBDLO CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)COC1 ZINC000172000116 198023554 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20 5 DDBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1F ZINC000067524155 353054099 /nfs/dbraw/zinc/05/40/99/353054099.db2.gz APCTWWXYGGKGGO-RISCZKNCSA-N 1 2 318.308 1.601 20 5 DDBDLO Cc1nnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000358615506 299207936 /nfs/dbraw/zinc/20/79/36/299207936.db2.gz DLEPQZBLKJKWEZ-JTQLQIEISA-N 1 2 320.378 1.836 20 5 DDBDLO Cc1nnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000358615506 299207940 /nfs/dbraw/zinc/20/79/40/299207940.db2.gz DLEPQZBLKJKWEZ-JTQLQIEISA-N 1 2 320.378 1.836 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000091894602 353837954 /nfs/dbraw/zinc/83/79/54/353837954.db2.gz SESNALDDQCGCRE-UHFFFAOYSA-N 1 2 308.334 1.682 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000091894602 353837956 /nfs/dbraw/zinc/83/79/56/353837956.db2.gz SESNALDDQCGCRE-UHFFFAOYSA-N 1 2 308.334 1.682 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000126364547 354053936 /nfs/dbraw/zinc/05/39/36/354053936.db2.gz WYMSHUGKNWARIO-UHFFFAOYSA-N 1 2 311.363 1.064 20 5 DDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000126460732 354055052 /nfs/dbraw/zinc/05/50/52/354055052.db2.gz VCZHPNKDFNPCAP-BTKVJGODSA-N 1 2 311.363 1.935 20 5 DDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000126460732 354055054 /nfs/dbraw/zinc/05/50/54/354055054.db2.gz VCZHPNKDFNPCAP-BTKVJGODSA-N 1 2 311.363 1.935 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000157311084 354224302 /nfs/dbraw/zinc/22/43/02/354224302.db2.gz VPTWSWLFYKZCSL-YGRLFVJLSA-N 1 2 323.349 1.052 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000157311084 354224306 /nfs/dbraw/zinc/22/43/06/354224306.db2.gz VPTWSWLFYKZCSL-YGRLFVJLSA-N 1 2 323.349 1.052 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@]2(O)CCCOC2)cc1 ZINC000594716604 356294753 /nfs/dbraw/zinc/29/47/53/356294753.db2.gz CBJMYDPZCZGVQA-HNNXBMFYSA-N 1 2 303.318 2.000 20 5 DDBDLO COCc1n[nH]c(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000594969060 356365711 /nfs/dbraw/zinc/36/57/11/356365711.db2.gz LZBAEGVNVRKLHP-UHFFFAOYSA-N 1 2 307.310 1.158 20 5 DDBDLO COc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000618120918 363464628 /nfs/dbraw/zinc/46/46/28/363464628.db2.gz XRDQOIJJXJEWGK-GWCFXTLKSA-N 1 2 323.349 1.052 20 5 DDBDLO COc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000618120918 363464633 /nfs/dbraw/zinc/46/46/33/363464633.db2.gz XRDQOIJJXJEWGK-GWCFXTLKSA-N 1 2 323.349 1.052 20 5 DDBDLO CNC(=O)C[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595472024 356505824 /nfs/dbraw/zinc/50/58/24/356505824.db2.gz DOUDSILPYFUOJQ-LBPRGKRZSA-N 1 2 318.333 1.858 20 5 DDBDLO Cc1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597997499 357413344 /nfs/dbraw/zinc/41/33/44/357413344.db2.gz MIQNNZRLFKKDIC-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597997499 357413349 /nfs/dbraw/zinc/41/33/49/357413349.db2.gz MIQNNZRLFKKDIC-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464647 357592382 /nfs/dbraw/zinc/59/23/82/357592382.db2.gz KRUZHMCSJTXPLA-SECBINFHSA-N 1 2 304.306 1.828 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598947731 357770643 /nfs/dbraw/zinc/77/06/43/357770643.db2.gz NHFHGPKOBSWXEF-LLVKDONJSA-N 1 2 304.281 1.675 20 5 DDBDLO Cc1cc(OCC(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000598946945 357771186 /nfs/dbraw/zinc/77/11/86/357771186.db2.gz JCYKJHWATPXZLW-NSHDSACASA-N 1 2 316.317 1.220 20 5 DDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncccc1[N+](=O)[O-] ZINC000599130794 357824342 /nfs/dbraw/zinc/82/43/42/357824342.db2.gz LATJTAMKFBSMLR-OAHLLOKOSA-N 1 2 322.365 1.018 20 5 DDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncccc1[N+](=O)[O-] ZINC000599130794 357824346 /nfs/dbraw/zinc/82/43/46/357824346.db2.gz LATJTAMKFBSMLR-OAHLLOKOSA-N 1 2 322.365 1.018 20 5 DDBDLO CN(C)C(=O)NCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063609 357805846 /nfs/dbraw/zinc/80/58/46/357805846.db2.gz DUDSWTQEYBGAKN-UHFFFAOYSA-N 1 2 303.322 1.826 20 5 DDBDLO CNC(=O)NC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599540021 357967042 /nfs/dbraw/zinc/96/70/42/357967042.db2.gz UNTLXYOXGNORRL-FZMZJTMJSA-N 1 2 322.365 1.286 20 5 DDBDLO CNC(=O)NC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599540021 357967046 /nfs/dbraw/zinc/96/70/46/357967046.db2.gz UNTLXYOXGNORRL-FZMZJTMJSA-N 1 2 322.365 1.286 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000599687124 358025361 /nfs/dbraw/zinc/02/53/61/358025361.db2.gz LDUWVOWTCHZXOP-UHFFFAOYSA-N 1 2 306.297 1.825 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000599687124 358025362 /nfs/dbraw/zinc/02/53/62/358025362.db2.gz LDUWVOWTCHZXOP-UHFFFAOYSA-N 1 2 306.297 1.825 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000348098423 283367931 /nfs/dbraw/zinc/36/79/31/283367931.db2.gz ZWGJVLKZXRJICA-SECBINFHSA-N 1 2 319.321 1.884 20 5 DDBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000565585040 304078017 /nfs/dbraw/zinc/07/80/17/304078017.db2.gz PQHNYKTYJYXWHZ-CQSZACIVSA-N 1 2 323.349 1.711 20 5 DDBDLO Cn1cc(C[N@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])n1 ZINC000602665227 359111910 /nfs/dbraw/zinc/11/19/10/359111910.db2.gz ZXPJXQXHLLQXOX-UHFFFAOYSA-N 1 2 305.338 1.108 20 5 DDBDLO Cn1cc(C[N@@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])n1 ZINC000602665227 359111913 /nfs/dbraw/zinc/11/19/13/359111913.db2.gz ZXPJXQXHLLQXOX-UHFFFAOYSA-N 1 2 305.338 1.108 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186824687 200017315 /nfs/dbraw/zinc/01/73/15/200017315.db2.gz JWEZSJMTRDIBKE-SUNKGSAMSA-N 1 2 307.350 1.625 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186824687 200017317 /nfs/dbraw/zinc/01/73/17/200017317.db2.gz JWEZSJMTRDIBKE-SUNKGSAMSA-N 1 2 307.350 1.625 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000609528368 360319058 /nfs/dbraw/zinc/31/90/58/360319058.db2.gz ZYMHWIQEVGDDHS-GFCCVEGCSA-N 1 2 322.365 1.250 20 5 DDBDLO CN(CC(=O)N1CC(n2cc[nH+]c2)C1)c1ccccc1[N+](=O)[O-] ZINC000610294034 360410511 /nfs/dbraw/zinc/41/05/11/360410511.db2.gz HDPKIMGRSNCRJU-UHFFFAOYSA-N 1 2 315.333 1.311 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193723048 201111407 /nfs/dbraw/zinc/11/14/07/201111407.db2.gz UQOBLLRSSMZPCS-OAHLLOKOSA-N 1 2 308.334 1.465 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@]12CCOC2 ZINC000193723048 201111410 /nfs/dbraw/zinc/11/14/10/201111410.db2.gz UQOBLLRSSMZPCS-OAHLLOKOSA-N 1 2 308.334 1.465 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349233877 283878399 /nfs/dbraw/zinc/87/83/99/283878399.db2.gz AHYLHCUEVZXURS-SECBINFHSA-N 1 2 320.305 1.881 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275143600 212147181 /nfs/dbraw/zinc/14/71/81/212147181.db2.gz QPRLMLQHPHKFKW-JTQLQIEISA-N 1 2 309.322 1.207 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCOC1 ZINC000350558801 284217464 /nfs/dbraw/zinc/21/74/64/284217464.db2.gz QPUGRWMEYBDOAO-CQSZACIVSA-N 1 2 321.377 1.875 20 5 DDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135574242 248290768 /nfs/dbraw/zinc/29/07/68/248290768.db2.gz DGNRIKKOWNPYAC-LBPRGKRZSA-N 1 2 323.324 1.327 20 5 DDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135574242 248290773 /nfs/dbraw/zinc/29/07/73/248290773.db2.gz DGNRIKKOWNPYAC-LBPRGKRZSA-N 1 2 323.324 1.327 20 5 DDBDLO CCOc1cc(NCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000336851945 249257179 /nfs/dbraw/zinc/25/71/79/249257179.db2.gz GPROQLSURSERRE-UHFFFAOYSA-N 1 2 308.382 1.653 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000338538314 250019289 /nfs/dbraw/zinc/01/92/89/250019289.db2.gz TXEDWGJSNIQHKG-UHFFFAOYSA-N 1 2 304.306 1.689 20 5 DDBDLO COc1ccc(OCC[N@@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000338587886 250042994 /nfs/dbraw/zinc/04/29/94/250042994.db2.gz QLBIDHTZSYJSNP-AWEZNQCLSA-N 1 2 314.313 1.389 20 5 DDBDLO COc1ccc(OCC[N@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000338587886 250042996 /nfs/dbraw/zinc/04/29/96/250042996.db2.gz QLBIDHTZSYJSNP-AWEZNQCLSA-N 1 2 314.313 1.389 20 5 DDBDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339042637 250266049 /nfs/dbraw/zinc/26/60/49/250266049.db2.gz AKSMVSRIZSXZND-AWEZNQCLSA-N 1 2 312.322 1.358 20 5 DDBDLO O=C1C[C@@]2(CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CN1 ZINC000352415017 285035667 /nfs/dbraw/zinc/03/56/67/285035667.db2.gz VRVFSPZZKIFTPC-AWEZNQCLSA-N 1 2 311.288 1.585 20 5 DDBDLO O=C1C[C@@]2(CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CN1 ZINC000352415017 285035668 /nfs/dbraw/zinc/03/56/68/285035668.db2.gz VRVFSPZZKIFTPC-AWEZNQCLSA-N 1 2 311.288 1.585 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000289645004 221126607 /nfs/dbraw/zinc/12/66/07/221126607.db2.gz SRKLJYZOUFPYIE-UHFFFAOYSA-N 1 2 322.346 1.304 20 5 DDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289747179 221199616 /nfs/dbraw/zinc/19/96/16/221199616.db2.gz YLVRWECSLLDUKM-UHFFFAOYSA-N 1 2 322.346 1.304 20 5 DDBDLO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361117907 299803571 /nfs/dbraw/zinc/80/35/71/299803571.db2.gz PTZSASZAQVTHSB-NEPJUHHUSA-N 1 2 305.334 1.418 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000075637183 406938312 /nfs/dbraw/zinc/93/83/12/406938312.db2.gz KKVFVCBHQYQXGE-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000075637183 406938314 /nfs/dbraw/zinc/93/83/14/406938314.db2.gz KKVFVCBHQYQXGE-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743942 407080095 /nfs/dbraw/zinc/08/00/95/407080095.db2.gz PVFAOHPNJJWGAF-CYBMUJFWSA-N 1 2 320.393 1.632 20 5 DDBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000051591348 407141651 /nfs/dbraw/zinc/14/16/51/407141651.db2.gz RMSXDGMQWSDVPD-GFCCVEGCSA-N 1 2 307.350 1.656 20 5 DDBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000051591348 407141652 /nfs/dbraw/zinc/14/16/52/407141652.db2.gz RMSXDGMQWSDVPD-GFCCVEGCSA-N 1 2 307.350 1.656 20 5 DDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1-n1cc[nH+]c1 ZINC000052927342 407160395 /nfs/dbraw/zinc/16/03/95/407160395.db2.gz LWWWDOVVRQRYRL-UHFFFAOYSA-N 1 2 312.289 1.616 20 5 DDBDLO O=[N+]([O-])c1cccc2c1CCN(CCC[NH+]1CCOCC1)C2 ZINC000153121131 407760068 /nfs/dbraw/zinc/76/00/68/407760068.db2.gz DMPYUVGQQSPXON-UHFFFAOYSA-N 1 2 305.378 1.675 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335265 407831823 /nfs/dbraw/zinc/83/18/23/407831823.db2.gz UESUHGZYRNYEMZ-NSHDSACASA-N 1 2 321.333 1.614 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335265 407831827 /nfs/dbraw/zinc/83/18/27/407831827.db2.gz UESUHGZYRNYEMZ-NSHDSACASA-N 1 2 321.333 1.614 20 5 DDBDLO Cn1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000174935071 408011757 /nfs/dbraw/zinc/01/17/57/408011757.db2.gz RFOCWIUPKTWSHU-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO CCN1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190209239 408188094 /nfs/dbraw/zinc/18/80/94/408188094.db2.gz CVDBQCUJDOIRMO-AWEZNQCLSA-N 1 2 307.350 1.182 20 5 DDBDLO CCN1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190209239 408188101 /nfs/dbraw/zinc/18/81/01/408188101.db2.gz CVDBQCUJDOIRMO-AWEZNQCLSA-N 1 2 307.350 1.182 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000182846000 408263901 /nfs/dbraw/zinc/26/39/01/408263901.db2.gz LUKOUFRAVVRBRW-GYSYKLTISA-N 1 2 307.350 1.539 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000182846000 408263907 /nfs/dbraw/zinc/26/39/07/408263907.db2.gz LUKOUFRAVVRBRW-GYSYKLTISA-N 1 2 307.350 1.539 20 5 DDBDLO CO[C@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263903968 408306948 /nfs/dbraw/zinc/30/69/48/408306948.db2.gz QPKWYHXPANHHEJ-LLVKDONJSA-N 1 2 318.333 1.935 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000170772492 162192740 /nfs/dbraw/zinc/19/27/40/162192740.db2.gz YHHXCZLLBPUOPC-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000170772492 162192741 /nfs/dbraw/zinc/19/27/41/162192741.db2.gz YHHXCZLLBPUOPC-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO COC(=O)[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000191018926 408358706 /nfs/dbraw/zinc/35/87/06/408358706.db2.gz FJLVUOAFJBWIAJ-WDMOLILDSA-N 1 2 310.350 1.428 20 5 DDBDLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000269620691 408363930 /nfs/dbraw/zinc/36/39/30/408363930.db2.gz ASOOPQVMJFZZPI-GFCCVEGCSA-N 1 2 306.322 1.845 20 5 DDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000247179181 408424440 /nfs/dbraw/zinc/42/44/40/408424440.db2.gz UQHSRFZGXKLITL-WDEREUQCSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000247179181 408424446 /nfs/dbraw/zinc/42/44/46/408424446.db2.gz UQHSRFZGXKLITL-WDEREUQCSA-N 1 2 323.349 1.387 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183551931 408438011 /nfs/dbraw/zinc/43/80/11/408438011.db2.gz BMHSJQLWGYGROD-UHFFFAOYSA-N 1 2 323.353 1.222 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183551931 408438015 /nfs/dbraw/zinc/43/80/15/408438015.db2.gz BMHSJQLWGYGROD-UHFFFAOYSA-N 1 2 323.353 1.222 20 5 DDBDLO Cc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000274861409 408557601 /nfs/dbraw/zinc/55/76/01/408557601.db2.gz ZDQBSRZCUHXKPS-CYBMUJFWSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000274861409 408557609 /nfs/dbraw/zinc/55/76/09/408557609.db2.gz ZDQBSRZCUHXKPS-CYBMUJFWSA-N 1 2 321.381 1.271 20 5 DDBDLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000248424167 408563520 /nfs/dbraw/zinc/56/35/20/408563520.db2.gz NHCNPMDHDOLIAT-BXUZGUMPSA-N 1 2 307.350 1.411 20 5 DDBDLO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000248424167 408563522 /nfs/dbraw/zinc/56/35/22/408563522.db2.gz NHCNPMDHDOLIAT-BXUZGUMPSA-N 1 2 307.350 1.411 20 5 DDBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277602215 408974842 /nfs/dbraw/zinc/97/48/42/408974842.db2.gz XPZAUOMWVFSTPS-MGOULQTBSA-N 1 2 312.391 1.329 20 5 DDBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277602215 408974845 /nfs/dbraw/zinc/97/48/45/408974845.db2.gz XPZAUOMWVFSTPS-MGOULQTBSA-N 1 2 312.391 1.329 20 5 DDBDLO Cc1c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000292170484 408994736 /nfs/dbraw/zinc/99/47/36/408994736.db2.gz JXZFGHMRWMVUDM-LBPRGKRZSA-N 1 2 312.391 1.770 20 5 DDBDLO Cc1c(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000292170484 408994739 /nfs/dbraw/zinc/99/47/39/408994739.db2.gz JXZFGHMRWMVUDM-LBPRGKRZSA-N 1 2 312.391 1.770 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000279073672 409144111 /nfs/dbraw/zinc/14/41/11/409144111.db2.gz FKZVHYLSNOOTCT-ZDUSSCGKSA-N 1 2 321.377 1.696 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279359026 409198394 /nfs/dbraw/zinc/19/83/94/409198394.db2.gz RPHNWQBRURAVRQ-CYBMUJFWSA-N 1 2 321.377 1.696 20 5 DDBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000280406288 409308160 /nfs/dbraw/zinc/30/81/60/409308160.db2.gz YEYJSZIKKWWGKR-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000280406288 409308162 /nfs/dbraw/zinc/30/81/62/409308162.db2.gz YEYJSZIKKWWGKR-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO CCC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000280685236 409408351 /nfs/dbraw/zinc/40/83/51/409408351.db2.gz ITMGLRVSTMAHEL-CYBMUJFWSA-N 1 2 320.393 1.845 20 5 DDBDLO CCC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000280685236 409408358 /nfs/dbraw/zinc/40/83/58/409408358.db2.gz ITMGLRVSTMAHEL-CYBMUJFWSA-N 1 2 320.393 1.845 20 5 DDBDLO CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000317671038 164028729 /nfs/dbraw/zinc/02/87/29/164028729.db2.gz BJNKKOYHVAVDAQ-GFCCVEGCSA-N 1 2 304.306 1.964 20 5 DDBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000337982217 409628417 /nfs/dbraw/zinc/62/84/17/409628417.db2.gz YARDRQXIFRZRJI-SNVBAGLBSA-N 1 2 301.306 1.327 20 5 DDBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000354089572 409645437 /nfs/dbraw/zinc/64/54/37/409645437.db2.gz ZEJFMMXMUJEJCF-HWKANZROSA-N 1 2 315.333 1.208 20 5 DDBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c(CO)nnc2C1 ZINC000354089572 409645450 /nfs/dbraw/zinc/64/54/50/409645450.db2.gz ZEJFMMXMUJEJCF-HWKANZROSA-N 1 2 315.333 1.208 20 5 DDBDLO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346461370 409967868 /nfs/dbraw/zinc/96/78/68/409967868.db2.gz RVWDBMVIYCVUQT-GFCCVEGCSA-N 1 2 305.334 1.410 20 5 DDBDLO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346461370 409967872 /nfs/dbraw/zinc/96/78/72/409967872.db2.gz RVWDBMVIYCVUQT-GFCCVEGCSA-N 1 2 305.334 1.410 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000338353282 409930828 /nfs/dbraw/zinc/93/08/28/409930828.db2.gz HYCXYAGIDVBZKY-MJVIPROJSA-N 1 2 308.334 1.918 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000338353282 409930834 /nfs/dbraw/zinc/93/08/34/409930834.db2.gz HYCXYAGIDVBZKY-MJVIPROJSA-N 1 2 308.334 1.918 20 5 DDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000351760336 410215228 /nfs/dbraw/zinc/21/52/28/410215228.db2.gz UJCFVWYSFQSJFA-UFBFGSQYSA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000351760336 410215235 /nfs/dbraw/zinc/21/52/35/410215235.db2.gz UJCFVWYSFQSJFA-UFBFGSQYSA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355518033 410558690 /nfs/dbraw/zinc/55/86/90/410558690.db2.gz YUPAEZJFTWXDAR-LLVKDONJSA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355518033 410558695 /nfs/dbraw/zinc/55/86/95/410558695.db2.gz YUPAEZJFTWXDAR-LLVKDONJSA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353132564 410804283 /nfs/dbraw/zinc/80/42/83/410804283.db2.gz DUODRABNBGBNTN-SUNKGSAMSA-N 1 2 310.375 1.775 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353132564 410804291 /nfs/dbraw/zinc/80/42/91/410804291.db2.gz DUODRABNBGBNTN-SUNKGSAMSA-N 1 2 310.375 1.775 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341718367 411049434 /nfs/dbraw/zinc/04/94/34/411049434.db2.gz KQVIHAODIVUMGM-CYBMUJFWSA-N 1 2 318.337 1.101 20 5 DDBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC(O)C1 ZINC000353474384 411014365 /nfs/dbraw/zinc/01/43/65/411014365.db2.gz WDVQQQVWCMSVBG-UHFFFAOYSA-N 1 2 304.306 1.600 20 5 DDBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC(O)C1 ZINC000353474384 411014370 /nfs/dbraw/zinc/01/43/70/411014370.db2.gz WDVQQQVWCMSVBG-UHFFFAOYSA-N 1 2 304.306 1.600 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000374135859 418492711 /nfs/dbraw/zinc/49/27/11/418492711.db2.gz FRZYQFRIYOYBIV-HNNXBMFYSA-N 1 2 318.333 1.088 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000361017073 418566772 /nfs/dbraw/zinc/56/67/72/418566772.db2.gz LOGXWJUDPNGHCN-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO CNc1c(C(=O)N2CC[NH+](CCOC)CC2)cccc1[N+](=O)[O-] ZINC000361212371 418607423 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305.334 1.707 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421014702 419452386 /nfs/dbraw/zinc/45/23/86/419452386.db2.gz HPELTCMTXFDLFZ-HNNXBMFYSA-N 1 2 305.334 1.707 20 5 DDBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000411905069 419466350 /nfs/dbraw/zinc/46/63/50/419466350.db2.gz MPBZCQYJERSIGD-NSHDSACASA-N 1 2 324.381 1.986 20 5 DDBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000411905069 419466354 /nfs/dbraw/zinc/46/63/54/419466354.db2.gz MPBZCQYJERSIGD-NSHDSACASA-N 1 2 324.381 1.986 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](OCCO)C3)nc2c1 ZINC000444646307 230115327 /nfs/dbraw/zinc/11/53/27/230115327.db2.gz IQDQWPYMLMOBBJ-GFCCVEGCSA-N 1 2 320.349 1.444 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](OCCO)C3)nc2c1 ZINC000444646307 230115331 /nfs/dbraw/zinc/11/53/31/230115331.db2.gz IQDQWPYMLMOBBJ-GFCCVEGCSA-N 1 2 320.349 1.444 20 5 DDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCNc1ccc([N+](=O)[O-])cc1 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O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000314358509 698688687 /nfs/dbraw/zinc/68/86/87/698688687.db2.gz IXZJYIBXOKGINQ-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000314358509 698688689 /nfs/dbraw/zinc/68/86/89/698688689.db2.gz IXZJYIBXOKGINQ-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO COC(C)(C)C[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631342 699820334 /nfs/dbraw/zinc/82/03/34/699820334.db2.gz LHBPQPGWDQADAF-UHFFFAOYSA-N 1 2 309.322 1.817 20 5 DDBDLO COC(C)(C)C[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631342 699820335 /nfs/dbraw/zinc/82/03/35/699820335.db2.gz LHBPQPGWDQADAF-UHFFFAOYSA-N 1 2 309.322 1.817 20 5 DDBDLO CNc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802240462 700387956 /nfs/dbraw/zinc/38/79/56/700387956.db2.gz AFDOLWBZCGQWKU-NSHDSACASA-N 1 2 311.313 1.837 20 5 DDBDLO CNc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802240462 700387959 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DDBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000770725861 701292256 /nfs/dbraw/zinc/29/22/56/701292256.db2.gz BJPZCDMOJYQLGU-ZANVPECISA-N 1 2 311.313 1.183 20 5 DDBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839777384 701823739 /nfs/dbraw/zinc/82/37/39/701823739.db2.gz CISRVBMZMDHRSK-NOZJJQNGSA-N 1 2 320.736 1.807 20 5 DDBDLO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC000815620219 701904071 /nfs/dbraw/zinc/90/40/71/701904071.db2.gz KOBNNORZIKFWED-IUCAKERBSA-N 1 2 317.353 1.910 20 5 DDBDLO CO[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000840124101 701982844 /nfs/dbraw/zinc/98/28/44/701982844.db2.gz NPFFXPQUXURAPG-PWSUYJOCSA-N 1 2 321.333 1.817 20 5 DDBDLO CO[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000840124101 701982847 /nfs/dbraw/zinc/98/28/47/701982847.db2.gz NPFFXPQUXURAPG-PWSUYJOCSA-N 1 2 321.333 1.817 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1Cl 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312.391 1.646 20 5 DDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCS1(=O)=O ZINC000857707312 704615330 /nfs/dbraw/zinc/61/53/30/704615330.db2.gz FOGXADGUPVUROM-ZDUSSCGKSA-N 1 2 312.391 1.646 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857989713 704657555 /nfs/dbraw/zinc/65/75/55/704657555.db2.gz JNVZZTMKPSRVRV-LBPRGKRZSA-N 1 2 302.290 1.431 20 5 DDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991333 704657969 /nfs/dbraw/zinc/65/79/69/704657969.db2.gz IANYWPHLSZKGID-GFCCVEGCSA-N 1 2 315.333 1.732 20 5 DDBDLO C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000867221870 706929054 /nfs/dbraw/zinc/92/90/54/706929054.db2.gz IBKRJEBXGUEAFY-IRBQFCFKSA-N 1 2 319.361 1.660 20 5 DDBDLO CCOC[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000859771743 705001461 /nfs/dbraw/zinc/00/14/61/705001461.db2.gz KMQNVCSCUJBDED-CABCVRRESA-N 1 2 310.350 1.366 20 5 DDBDLO CCOC[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000859771743 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Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000891611837 710247976 /nfs/dbraw/zinc/24/79/76/710247976.db2.gz WQWGLEBMBVENCR-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]3C3OCCO3)c2c1 ZINC000902621970 710822416 /nfs/dbraw/zinc/82/24/16/710822416.db2.gz HVQMORIMHAQCHQ-ZDUSSCGKSA-N 1 2 318.333 1.739 20 5 DDBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H]3C3OCCO3)c2c1 ZINC000902621970 710822420 /nfs/dbraw/zinc/82/24/20/710822420.db2.gz HVQMORIMHAQCHQ-ZDUSSCGKSA-N 1 2 318.333 1.739 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000928640132 713245971 /nfs/dbraw/zinc/24/59/71/713245971.db2.gz KSWFSSHTRDLRFS-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO CCn1cnc2c1CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000933258846 714548274 /nfs/dbraw/zinc/54/82/74/714548274.db2.gz MFRKEHIDQAZLJJ-MRXNPFEDSA-N 1 2 316.361 1.903 20 5 DDBDLO CCn1cnc2c1CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000933258846 714548277 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1.781 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093777084 775101790 /nfs/dbraw/zinc/10/17/90/775101790.db2.gz VCXPLTVPUVEFKX-UHFFFAOYSA-N 1 2 321.312 1.536 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094549876 776059829 /nfs/dbraw/zinc/05/98/29/776059829.db2.gz VDIDNSSYHCGRLV-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N(C)[C@H]2CCOC2)C1 ZINC001173235434 777064547 /nfs/dbraw/zinc/06/45/47/777064547.db2.gz WYJLKJHLROVBGX-CJNGLKHVSA-N 1 2 319.405 1.931 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101717839 777429480 /nfs/dbraw/zinc/42/94/80/777429480.db2.gz DPTLEISFUZUCGW-UHFFFAOYSA-N 1 2 317.349 1.739 20 5 DDBDLO Cc1[nH]c([C@@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH+]c1C ZINC001155175121 861800907 /nfs/dbraw/zinc/80/09/07/861800907.db2.gz PNLLRSXAUWGQTK-VIFPVBQESA-N 1 2 304.310 1.635 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1c[nH+]cn1C ZINC001154131314 864431440 /nfs/dbraw/zinc/43/14/40/864431440.db2.gz NLLKSIJOUGAMPK-UHFFFAOYSA-N 1 2 318.333 1.700 20 5 DDBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncc([N+](=O)[O-])cc1C ZINC001160691754 866034263 /nfs/dbraw/zinc/03/42/63/866034263.db2.gz VPMWETPDACXNGB-LBPRGKRZSA-N 1 2 319.321 1.228 20 5 DDBDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001161946398 867128002 /nfs/dbraw/zinc/12/80/02/867128002.db2.gz XJQOAGJASQWFMK-SSDOTTSWSA-N 1 2 302.718 1.254 20 5 DDBDLO CCOC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162689806 867738102 /nfs/dbraw/zinc/73/81/02/867738102.db2.gz PIYUEHMYFOEATF-GFCCVEGCSA-N 1 2 323.349 1.514 20 5 DDBDLO CCOC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162689806 867738116 /nfs/dbraw/zinc/73/81/16/867738116.db2.gz PIYUEHMYFOEATF-GFCCVEGCSA-N 1 2 323.349 1.514 20 5 DDBDLO C[N@H+](CCc1ccc2c(c1)OCO2)Cn1nccc1[N+](=O)[O-] ZINC001335222805 868149877 /nfs/dbraw/zinc/14/98/77/868149877.db2.gz RZTVRCIZLUOLCC-UHFFFAOYSA-N 1 2 304.306 1.652 20 5 DDBDLO C[N@@H+](CCc1ccc2c(c1)OCO2)Cn1nccc1[N+](=O)[O-] ZINC001335222805 868149886 /nfs/dbraw/zinc/14/98/86/868149886.db2.gz RZTVRCIZLUOLCC-UHFFFAOYSA-N 1 2 304.306 1.652 20 5 DDBDLO COC(=O)C1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001308604334 871511823 /nfs/dbraw/zinc/51/18/23/871511823.db2.gz VSAFFCOMPQPJGG-UHFFFAOYSA-N 1 2 324.333 1.694 20 5 DDBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001347661936 874232510 /nfs/dbraw/zinc/23/25/10/874232510.db2.gz UHDKKBXNKVDBMQ-UHFFFAOYSA-N 1 2 303.322 1.676 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001296875331 916610539 /nfs/dbraw/zinc/61/05/39/916610539.db2.gz IJUVNNMOKUVSHJ-UHFFFAOYSA-N 1 2 302.334 1.870 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000615140571 362170518 /nfs/dbraw/zinc/17/05/18/362170518.db2.gz XXQZPPDLHJYDPK-UHFFFAOYSA-N 1 2 307.394 1.792 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000615140571 362170520 /nfs/dbraw/zinc/17/05/20/362170520.db2.gz XXQZPPDLHJYDPK-UHFFFAOYSA-N 1 2 307.394 1.792 20 5 DDBDLO COC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283210464 282340029 /nfs/dbraw/zinc/34/00/29/282340029.db2.gz RXXYLHKRZSPFIT-UHFFFAOYSA-N 1 2 312.297 1.234 20 5 DDBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(N)nc(N)n2)cc1[N+](=O)[O-] ZINC000181822251 199357989 /nfs/dbraw/zinc/35/79/89/199357989.db2.gz MZMRNWMUPOBREZ-MRVPVSSYSA-N 1 2 303.326 1.103 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc3n2CCOC3)c(Cl)c1 ZINC000616488246 362720978 /nfs/dbraw/zinc/72/09/78/362720978.db2.gz XUTRXHRYENZYPG-UHFFFAOYSA-N 1 2 323.740 1.660 20 5 DDBDLO CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000172014509 198025622 /nfs/dbraw/zinc/02/56/22/198025622.db2.gz OSTGAAKEVIIDNW-UHFFFAOYSA-N 1 2 313.379 1.229 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000369123329 307116436 /nfs/dbraw/zinc/11/64/36/307116436.db2.gz ZXRVMXLNEDJKPN-WXHSDQCUSA-N 1 2 309.753 1.478 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000016432777 352161192 /nfs/dbraw/zinc/16/11/92/352161192.db2.gz YBKZBLOKMDEMML-UHFFFAOYSA-N 1 2 307.350 1.658 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000016432777 352161194 /nfs/dbraw/zinc/16/11/94/352161194.db2.gz YBKZBLOKMDEMML-UHFFFAOYSA-N 1 2 307.350 1.658 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000491387948 234154782 /nfs/dbraw/zinc/15/47/82/234154782.db2.gz ROBJKDSIWLGWQF-GFUIURDCSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000491387948 234154787 /nfs/dbraw/zinc/15/47/87/234154787.db2.gz ROBJKDSIWLGWQF-GFUIURDCSA-N 1 2 319.361 1.445 20 5 DDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCn1cc[nH+]c1 ZINC000065718923 352958949 /nfs/dbraw/zinc/95/89/49/352958949.db2.gz PUCPZYPEGUKLNW-UHFFFAOYSA-N 1 2 313.317 1.562 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000331899705 234252280 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C[NH+]1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000077309740 406984846 /nfs/dbraw/zinc/98/48/46/406984846.db2.gz CIZWTCIKNUZAPY-UHFFFAOYSA-N 1 2 303.322 1.295 20 5 DDBDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883664 407154914 /nfs/dbraw/zinc/15/49/14/407154914.db2.gz WHDJBLVMPFTEPJ-ZDUSSCGKSA-N 1 2 316.317 1.700 20 5 DDBDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883664 407154916 /nfs/dbraw/zinc/15/49/16/407154916.db2.gz WHDJBLVMPFTEPJ-ZDUSSCGKSA-N 1 2 316.317 1.700 20 5 DDBDLO Cc1noc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000113171485 407470350 /nfs/dbraw/zinc/47/03/50/407470350.db2.gz BCZGAYKMJIVEGQ-UHFFFAOYSA-N 1 2 317.349 1.604 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000113260733 407484579 /nfs/dbraw/zinc/48/45/79/407484579.db2.gz MZASSAFULXJZIA-NSHDSACASA-N 1 2 312.391 1.992 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000113260733 407484587 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DDBDLO Cc1sc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189720301 408088945 /nfs/dbraw/zinc/08/89/45/408088945.db2.gz BYIGUGXRAAFIRF-VIFPVBQESA-N 1 2 313.379 1.103 20 5 DDBDLO Cc1ccc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000158770971 408360895 /nfs/dbraw/zinc/36/08/95/408360895.db2.gz DIBAVQBYNSAWFL-CQSZACIVSA-N 1 2 306.322 1.766 20 5 DDBDLO Cc1ccc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000158770971 408360899 /nfs/dbraw/zinc/36/08/99/408360899.db2.gz DIBAVQBYNSAWFL-CQSZACIVSA-N 1 2 306.322 1.766 20 5 DDBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000183621984 408457368 /nfs/dbraw/zinc/45/73/68/408457368.db2.gz ZPPTZSMEWXOFMN-UHFFFAOYSA-N 1 2 315.276 1.584 20 5 DDBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCn1cc[nH+]c1 ZINC000160332805 408470271 /nfs/dbraw/zinc/47/02/71/408470271.db2.gz YNNUNIWXSRTNFS-UHFFFAOYSA-N 1 2 301.262 1.308 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000192474583 408594970 /nfs/dbraw/zinc/59/49/70/408594970.db2.gz DVKOMLBXYJQHNO-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1[nH+]ccn1C ZINC000161976972 408657103 /nfs/dbraw/zinc/65/71/03/408657103.db2.gz YAGZLAMHXLQAIB-NSHDSACASA-N 1 2 317.349 1.787 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284167661 409289029 /nfs/dbraw/zinc/28/90/29/409289029.db2.gz RIWXIEKFDDYIJX-LSDHHAIUSA-N 1 2 319.361 1.069 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284167661 409289031 /nfs/dbraw/zinc/28/90/31/409289031.db2.gz RIWXIEKFDDYIJX-LSDHHAIUSA-N 1 2 319.361 1.069 20 5 DDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+](C2CC2)C1 ZINC000295248812 409395446 /nfs/dbraw/zinc/39/54/46/409395446.db2.gz DTYUHPXYGXDLBK-NSHDSACASA-N 1 2 319.361 1.857 20 5 DDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+](C2CC2)C1 ZINC000295248812 409395452 /nfs/dbraw/zinc/39/54/52/409395452.db2.gz DTYUHPXYGXDLBK-NSHDSACASA-N 1 2 319.361 1.857 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000185892564 306717188 /nfs/dbraw/zinc/71/71/88/306717188.db2.gz OFMNBWIYDWGIQZ-UHFFFAOYSA-N 1 2 300.278 1.386 20 5 DDBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331491916 409569867 /nfs/dbraw/zinc/56/98/67/409569867.db2.gz MYKCTTLSOQDXKM-CYBMUJFWSA-N 1 2 317.349 1.524 20 5 DDBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331491916 409569874 /nfs/dbraw/zinc/56/98/74/409569874.db2.gz MYKCTTLSOQDXKM-CYBMUJFWSA-N 1 2 317.349 1.524 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356725552 409550484 /nfs/dbraw/zinc/55/04/84/409550484.db2.gz JURSWWOVYLOACL-JTQLQIEISA-N 1 2 316.317 1.664 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000356838961 409650080 /nfs/dbraw/zinc/65/00/80/409650080.db2.gz LLBDNHBWAUQNAH-AWEZNQCLSA-N 1 2 316.361 1.810 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000356838961 409650086 /nfs/dbraw/zinc/65/00/86/409650086.db2.gz LLBDNHBWAUQNAH-AWEZNQCLSA-N 1 2 316.361 1.810 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1C[NH+](C(C)C)C1 ZINC000297074957 409792530 /nfs/dbraw/zinc/79/25/30/409792530.db2.gz LRMGWYFFUIMMHM-UHFFFAOYSA-N 1 2 307.350 1.816 20 5 DDBDLO Cc1ccnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000339662099 410364661 /nfs/dbraw/zinc/36/46/61/410364661.db2.gz GNSRIUNUPVFRRI-LBPRGKRZSA-N 1 2 314.349 1.775 20 5 DDBDLO Cc1ccnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000339662099 410364668 /nfs/dbraw/zinc/36/46/68/410364668.db2.gz GNSRIUNUPVFRRI-LBPRGKRZSA-N 1 2 314.349 1.775 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000355336990 410451138 /nfs/dbraw/zinc/45/11/38/410451138.db2.gz FIVPUGCRBHTREZ-CYBMUJFWSA-N 1 2 304.350 1.884 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000355336990 410451144 /nfs/dbraw/zinc/45/11/44/410451144.db2.gz FIVPUGCRBHTREZ-CYBMUJFWSA-N 1 2 304.350 1.884 20 5 DDBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000352334923 410628155 /nfs/dbraw/zinc/62/81/55/410628155.db2.gz NBQHKPYFGYGJOD-VIFPVBQESA-N 1 2 304.310 1.013 20 5 DDBDLO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330610909 410826306 /nfs/dbraw/zinc/82/63/06/410826306.db2.gz PGAYWOVSJFZAQU-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330610909 410826308 /nfs/dbraw/zinc/82/63/08/410826308.db2.gz PGAYWOVSJFZAQU-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000302837605 410873864 /nfs/dbraw/zinc/87/38/64/410873864.db2.gz NFISPVPNSWBERA-ZDUSSCGKSA-N 1 2 312.391 1.994 20 5 DDBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000302837605 410873871 /nfs/dbraw/zinc/87/38/71/410873871.db2.gz NFISPVPNSWBERA-ZDUSSCGKSA-N 1 2 312.391 1.994 20 5 DDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000348274503 410890674 /nfs/dbraw/zinc/89/06/74/410890674.db2.gz AYTJSGGSXBLUMJ-SNVBAGLBSA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000348274503 410890679 /nfs/dbraw/zinc/89/06/79/410890679.db2.gz AYTJSGGSXBLUMJ-SNVBAGLBSA-N 1 2 313.379 1.228 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486939860 416555126 /nfs/dbraw/zinc/55/51/26/416555126.db2.gz OTWYBDNKMHXYKN-GFCCVEGCSA-N 1 2 319.321 1.387 20 5 DDBDLO C[N@H+]1CCO[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486939860 416555129 /nfs/dbraw/zinc/55/51/29/416555129.db2.gz OTWYBDNKMHXYKN-GFCCVEGCSA-N 1 2 319.321 1.387 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366168487 418437333 /nfs/dbraw/zinc/43/73/33/418437333.db2.gz XMQZARLRPCOGSH-CYBMUJFWSA-N 1 2 314.301 1.678 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000366636046 418499078 /nfs/dbraw/zinc/49/90/78/418499078.db2.gz QEUUNCHYOXLEMI-UHFFFAOYSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000366636046 418499081 /nfs/dbraw/zinc/49/90/81/418499081.db2.gz QEUUNCHYOXLEMI-UHFFFAOYSA-N 1 2 322.361 1.985 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000286286474 418573685 /nfs/dbraw/zinc/57/36/85/418573685.db2.gz IKCSBYAFEPLGOE-QWHCGFSZSA-N 1 2 306.366 1.598 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000374661866 418552944 /nfs/dbraw/zinc/55/29/44/418552944.db2.gz IXMIGMQZOXPEFH-UHFFFAOYSA-N 1 2 304.281 1.895 20 5 DDBDLO CNC(=O)c1ccc(N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000374710570 418558028 /nfs/dbraw/zinc/55/80/28/418558028.db2.gz DNSIUAIFIAOPRF-UHFFFAOYSA-N 1 2 315.333 1.480 20 5 DDBDLO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC000293916151 418581146 /nfs/dbraw/zinc/58/11/46/418581146.db2.gz IEPSRULSWZBCRQ-MRXNPFEDSA-N 1 2 319.361 1.858 20 5 DDBDLO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC000293916151 418581149 /nfs/dbraw/zinc/58/11/49/418581149.db2.gz IEPSRULSWZBCRQ-MRXNPFEDSA-N 1 2 319.361 1.858 20 5 DDBDLO COc1cccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000195426916 222201029 /nfs/dbraw/zinc/20/10/29/222201029.db2.gz VVVGCUAVMLTMJJ-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO Cc1nnc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000370944588 418751691 /nfs/dbraw/zinc/75/16/91/418751691.db2.gz KZFZJRGHPQFXKH-GFCCVEGCSA-N 1 2 305.342 1.445 20 5 DDBDLO Cc1nnc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000370944588 418751693 /nfs/dbraw/zinc/75/16/93/418751693.db2.gz KZFZJRGHPQFXKH-GFCCVEGCSA-N 1 2 305.342 1.445 20 5 DDBDLO Cc1cc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC000421579573 419642370 /nfs/dbraw/zinc/64/23/70/419642370.db2.gz UJLPJVGIUPVOOH-UHFFFAOYSA-N 1 2 303.322 1.510 20 5 DDBDLO O=C1C[C@@]2(CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000413272594 419779978 /nfs/dbraw/zinc/77/99/78/419779978.db2.gz UUCLVFVEYGLLJJ-INIZCTEOSA-N 1 2 312.329 1.859 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443723508 230025305 /nfs/dbraw/zinc/02/53/05/230025305.db2.gz XQLXRRSVBVSMIN-UHFFFAOYSA-N 1 2 313.379 1.196 20 5 DDBDLO C[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000450978277 420573780 /nfs/dbraw/zinc/57/37/80/420573780.db2.gz YAQQHMWOIRNADL-LLVKDONJSA-N 1 2 300.380 1.502 20 5 DDBDLO C[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000450978277 420573782 /nfs/dbraw/zinc/57/37/82/420573782.db2.gz YAQQHMWOIRNADL-LLVKDONJSA-N 1 2 300.380 1.502 20 5 DDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493024682 420738051 /nfs/dbraw/zinc/73/80/51/420738051.db2.gz YMFHLUCWRQYGOL-DAFODLJHSA-N 1 2 314.301 1.752 20 5 DDBDLO C[C@]1(O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447805140 420803035 /nfs/dbraw/zinc/80/30/35/420803035.db2.gz HTBNONBPGRJFAI-INIZCTEOSA-N 1 2 321.377 1.388 20 5 DDBDLO COC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448802940 420898934 /nfs/dbraw/zinc/89/89/34/420898934.db2.gz BAHOIZUPVVGQIF-LLVKDONJSA-N 1 2 318.333 1.793 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456363990 421151545 /nfs/dbraw/zinc/15/15/45/421151545.db2.gz FQVLFRBKIHVKPK-MFKMUULPSA-N 1 2 316.317 1.992 20 5 DDBDLO C[C@H](CO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450163126 421154881 /nfs/dbraw/zinc/15/48/81/421154881.db2.gz RXGZGZLINTUGOO-JTQLQIEISA-N 1 2 304.306 1.139 20 5 DDBDLO C[C@H](C[C@H](C)O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450539737 421207523 /nfs/dbraw/zinc/20/75/23/421207523.db2.gz MASSBQNSCWGXOF-MNOVXSKESA-N 1 2 318.333 1.670 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000547308227 421321842 /nfs/dbraw/zinc/32/18/42/421321842.db2.gz VQGSXLJRKZGFSN-SNVBAGLBSA-N 1 2 320.271 1.035 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000571701424 421737642 /nfs/dbraw/zinc/73/76/42/421737642.db2.gz XHKDCMRCUDKRAQ-VIFPVBQESA-N 1 2 318.337 1.739 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000541774657 421805022 /nfs/dbraw/zinc/80/50/22/421805022.db2.gz KAYMXFGZUXUDEY-UHFFFAOYSA-N 1 2 303.362 1.957 20 5 DDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000581379220 421961910 /nfs/dbraw/zinc/96/19/10/421961910.db2.gz HCKQCLKJZJEQKV-MRVPVSSYSA-N 1 2 304.310 1.279 20 5 DDBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000582403654 422146745 /nfs/dbraw/zinc/14/67/45/422146745.db2.gz HOHKFYHZVPFXQA-NSHDSACASA-N 1 2 312.329 1.943 20 5 DDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000593383197 422338428 /nfs/dbraw/zinc/33/84/28/422338428.db2.gz OOLABVFVQXLKBG-UHFFFAOYSA-N 1 2 306.297 1.679 20 5 DDBDLO Cc1noc(Cn2c3ccccc3[nH+]c2NCCO)c1[N+](=O)[O-] ZINC000596237311 422371959 /nfs/dbraw/zinc/37/19/59/422371959.db2.gz DCINDJAFCPNPQH-UHFFFAOYSA-N 1 2 317.305 1.693 20 5 DDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344350851 272005023 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306.366 1.455 20 5 DDBDLO CC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194210 703624660 /nfs/dbraw/zinc/62/46/60/703624660.db2.gz FXVLYMIRCGKOMD-JTQLQIEISA-N 1 2 303.274 1.915 20 5 DDBDLO CC[NH2+]Cc1noc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000857254607 704570804 /nfs/dbraw/zinc/57/08/04/704570804.db2.gz JDVARMNAYBNNHC-UHFFFAOYSA-N 1 2 320.309 1.409 20 5 DDBDLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000874832534 705190233 /nfs/dbraw/zinc/19/02/33/705190233.db2.gz FRVHXGASGRUOIA-OLZOCXBDSA-N 1 2 305.334 1.609 20 5 DDBDLO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000874832534 705190237 /nfs/dbraw/zinc/19/02/37/705190237.db2.gz FRVHXGASGRUOIA-OLZOCXBDSA-N 1 2 305.334 1.609 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882277714 707568851 /nfs/dbraw/zinc/56/88/51/707568851.db2.gz FCHBYZNWFJIELE-UHFFFAOYSA-N 1 2 312.345 1.676 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882277714 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302.334 1.886 20 5 DDBDLO CC(C)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000898903691 708917752 /nfs/dbraw/zinc/91/77/52/708917752.db2.gz JHEOZFCWTQICCD-UHFFFAOYSA-N 1 2 302.334 1.885 20 5 DDBDLO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000910282590 709864005 /nfs/dbraw/zinc/86/40/05/709864005.db2.gz HNHSEIWLYZBUTG-LLVKDONJSA-N 1 2 307.350 1.857 20 5 DDBDLO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000910282590 709864008 /nfs/dbraw/zinc/86/40/08/709864008.db2.gz HNHSEIWLYZBUTG-LLVKDONJSA-N 1 2 307.350 1.857 20 5 DDBDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930832981 713931662 /nfs/dbraw/zinc/93/16/62/713931662.db2.gz MPOITAHJIWDSDZ-SDDRHHMPSA-N 1 2 307.350 1.571 20 5 DDBDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930832981 713931664 /nfs/dbraw/zinc/93/16/64/713931664.db2.gz MPOITAHJIWDSDZ-SDDRHHMPSA-N 1 2 307.350 1.571 20 5 DDBDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000932102670 714259206 /nfs/dbraw/zinc/25/92/06/714259206.db2.gz MYJGOPHNCXTERJ-GHMZBOCLSA-N 1 2 308.334 1.931 20 5 DDBDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000932102670 714259208 /nfs/dbraw/zinc/25/92/08/714259208.db2.gz MYJGOPHNCXTERJ-GHMZBOCLSA-N 1 2 308.334 1.931 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935329600 715029270 /nfs/dbraw/zinc/02/92/70/715029270.db2.gz REMCVVPMXBDSMQ-HUUCEWRRSA-N 1 2 314.345 1.791 20 5 DDBDLO COc1nccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001181264788 743130594 /nfs/dbraw/zinc/13/05/94/743130594.db2.gz AEURGIJNLLHIIG-UHFFFAOYSA-N 1 2 314.305 1.560 20 5 DDBDLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006232 762174020 /nfs/dbraw/zinc/17/40/20/762174020.db2.gz WUCYAZKWBAXKNC-YUELXQCFSA-N 1 2 321.377 1.509 20 5 DDBDLO COC(=O)[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006759 762174622 /nfs/dbraw/zinc/17/46/22/762174622.db2.gz YTEBGAIGBKENRP-MELADBBJSA-N 1 2 307.350 1.201 20 5 DDBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC001109472299 763740986 /nfs/dbraw/zinc/74/09/86/763740986.db2.gz FTUYRSZPJKXHOY-UHFFFAOYSA-N 1 2 317.349 1.752 20 5 DDBDLO O=[N+]([O-])c1cnc(Cl)nc1NCC1([NH+]2CCCC2)COC1 ZINC001157649759 766024939 /nfs/dbraw/zinc/02/49/39/766024939.db2.gz ABYFJJJAEUMOGD-UHFFFAOYSA-N 1 2 313.745 1.315 20 5 DDBDLO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001136637970 772060480 /nfs/dbraw/zinc/06/04/80/772060480.db2.gz JLTFKQFHTOAEJL-QMMMGPOBSA-N 1 2 324.728 1.645 20 5 DDBDLO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001176474546 778160961 /nfs/dbraw/zinc/16/09/61/778160961.db2.gz MKNHXXVTCGONPW-AWEZNQCLSA-N 1 2 321.377 1.820 20 5 DDBDLO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001176474546 778160967 /nfs/dbraw/zinc/16/09/67/778160967.db2.gz MKNHXXVTCGONPW-AWEZNQCLSA-N 1 2 321.377 1.820 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326852446 861660124 /nfs/dbraw/zinc/66/01/24/861660124.db2.gz JEPSGXCDYSXXHG-UHFFFAOYSA-N 1 2 318.337 1.311 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326852446 861660130 /nfs/dbraw/zinc/66/01/30/861660130.db2.gz JEPSGXCDYSXXHG-UHFFFAOYSA-N 1 2 318.337 1.311 20 5 DDBDLO Cc1cnc(NS(=O)(=O)c2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC001161752283 866967877 /nfs/dbraw/zinc/96/78/77/866967877.db2.gz RWUKSHDMRAFZPP-UHFFFAOYSA-N 1 2 322.346 1.558 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC001307459406 871437212 /nfs/dbraw/zinc/43/72/12/871437212.db2.gz TUHFFXFDEVHJPS-VIFPVBQESA-N 1 2 324.724 1.865 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC001307459406 871437219 /nfs/dbraw/zinc/43/72/19/871437219.db2.gz TUHFFXFDEVHJPS-VIFPVBQESA-N 1 2 324.724 1.865 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2c(C)nnc2[C@H]1C ZINC001308176830 871477170 /nfs/dbraw/zinc/47/71/70/871477170.db2.gz DEWWOBADCLCBKS-SECBINFHSA-N 1 2 305.342 1.076 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2c(C)nnc2[C@H]1C ZINC001308176830 871477178 /nfs/dbraw/zinc/47/71/78/871477178.db2.gz DEWWOBADCLCBKS-SECBINFHSA-N 1 2 305.342 1.076 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C[N@@H+]1C ZINC001229113791 883827120 /nfs/dbraw/zinc/82/71/20/883827120.db2.gz FFOJETKTXMRHBW-NCRJZKAISA-N 1 2 306.318 1.559 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C[N@H+]1C ZINC001229113791 883827138 /nfs/dbraw/zinc/82/71/38/883827138.db2.gz FFOJETKTXMRHBW-NCRJZKAISA-N 1 2 306.318 1.559 20 5 DDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001254563470 896502791 /nfs/dbraw/zinc/50/27/91/896502791.db2.gz WVIWBXLZRWLGTB-WCQYABFASA-N 1 2 312.391 1.645 20 5 DDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001254563470 896502801 /nfs/dbraw/zinc/50/28/01/896502801.db2.gz WVIWBXLZRWLGTB-WCQYABFASA-N 1 2 312.391 1.645 20 5 DDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](C)[NH+]1CCOCC1 ZINC001293144744 914279577 /nfs/dbraw/zinc/27/95/77/914279577.db2.gz KKIVOGBGJBWVKB-QWRGUYRKSA-N 1 2 322.365 1.016 20 5 DDBDLO C[N@@H+]1CCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272857808 210252865 /nfs/dbraw/zinc/25/28/65/210252865.db2.gz PVXUBTNNMLRCPW-QMMMGPOBSA-N 1 2 319.408 1.566 20 5 DDBDLO C[N@H+]1CCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272857808 210252868 /nfs/dbraw/zinc/25/28/68/210252868.db2.gz PVXUBTNNMLRCPW-QMMMGPOBSA-N 1 2 319.408 1.566 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000295780037 529571367 /nfs/dbraw/zinc/57/13/67/529571367.db2.gz XYQLDLHRAXUUHB-UHFFFAOYSA-N 1 2 318.333 1.815 20 5 DDBDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000170820433 197829109 /nfs/dbraw/zinc/82/91/09/197829109.db2.gz AIVZRYBSZBVTQD-ZDUSSCGKSA-N 1 2 307.350 1.953 20 5 DDBDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000170820433 197829111 /nfs/dbraw/zinc/82/91/11/197829111.db2.gz AIVZRYBSZBVTQD-ZDUSSCGKSA-N 1 2 307.350 1.953 20 5 DDBDLO C[C@H]1CSCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000172589174 198119503 /nfs/dbraw/zinc/11/95/03/198119503.db2.gz DLXOOZNXZFRTKX-NSHDSACASA-N 1 2 309.391 1.995 20 5 DDBDLO C[C@H]1CSCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000172589174 198119504 /nfs/dbraw/zinc/11/95/04/198119504.db2.gz DLXOOZNXZFRTKX-NSHDSACASA-N 1 2 309.391 1.995 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000047931854 352517083 /nfs/dbraw/zinc/51/70/83/352517083.db2.gz SDQRGMANRBBCRL-JTQLQIEISA-N 1 2 303.322 1.652 20 5 DDBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000075955952 353387206 /nfs/dbraw/zinc/38/72/06/353387206.db2.gz NJDQTNVSQNKZGY-UHFFFAOYSA-N 1 2 303.322 1.940 20 5 DDBDLO CC(C)C[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168278 353706429 /nfs/dbraw/zinc/70/64/29/353706429.db2.gz KSVASJFGMCSVGE-UHFFFAOYSA-N 1 2 306.322 1.679 20 5 DDBDLO CC(C)C[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168278 353706431 /nfs/dbraw/zinc/70/64/31/353706431.db2.gz KSVASJFGMCSVGE-UHFFFAOYSA-N 1 2 306.322 1.679 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1[nH+]ccn1C ZINC000272358417 209754162 /nfs/dbraw/zinc/75/41/62/209754162.db2.gz MKVDYHPMADAPTM-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611491 353902654 /nfs/dbraw/zinc/90/26/54/353902654.db2.gz DIVVDNCMYPGQLO-LLVKDONJSA-N 1 2 306.240 1.800 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611491 353902657 /nfs/dbraw/zinc/90/26/57/353902657.db2.gz DIVVDNCMYPGQLO-LLVKDONJSA-N 1 2 306.240 1.800 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)n1 ZINC000322980582 354540360 /nfs/dbraw/zinc/54/03/60/354540360.db2.gz PBRKUHCJJFPQRA-UHFFFAOYSA-N 1 2 319.321 1.865 20 5 DDBDLO CN(CCCn1cc[nH+]c1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588002007 354892241 /nfs/dbraw/zinc/89/22/41/354892241.db2.gz ZKGZOANDCBNQNW-UHFFFAOYSA-N 1 2 305.338 1.392 20 5 DDBDLO C[NH2+]C[C@@H]1C[C@H](F)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592486519 355596975 /nfs/dbraw/zinc/59/69/75/355596975.db2.gz IIZQCCHJKJCOGB-RYUDHWBXSA-N 1 2 324.356 1.555 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C(C)C)C2COC2)c1 ZINC000593032080 355775239 /nfs/dbraw/zinc/77/52/39/355775239.db2.gz SFMUNLMSZYVIGN-UHFFFAOYSA-N 1 2 308.334 1.991 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C(C)C)C2COC2)c1 ZINC000593032080 355775241 /nfs/dbraw/zinc/77/52/41/355775241.db2.gz SFMUNLMSZYVIGN-UHFFFAOYSA-N 1 2 308.334 1.991 20 5 DDBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000594513303 356241830 /nfs/dbraw/zinc/24/18/30/356241830.db2.gz XGMUCFLRMLRYML-GFCCVEGCSA-N 1 2 303.322 1.854 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595493943 356517808 /nfs/dbraw/zinc/51/78/08/356517808.db2.gz XMZUZHVRBRTWHI-RKDXNWHRSA-N 1 2 323.271 1.884 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595493943 356517812 /nfs/dbraw/zinc/51/78/12/356517812.db2.gz XMZUZHVRBRTWHI-RKDXNWHRSA-N 1 2 323.271 1.884 20 5 DDBDLO Cc1cnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000596247196 356831215 /nfs/dbraw/zinc/83/12/15/356831215.db2.gz MNPMSTBKLLCWFA-CYBMUJFWSA-N 1 2 306.366 1.599 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596452097 356883734 /nfs/dbraw/zinc/88/37/34/356883734.db2.gz CEBGGYMBGUGCBU-NWDGAFQWSA-N 1 2 322.365 1.826 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596452097 356883737 /nfs/dbraw/zinc/88/37/37/356883737.db2.gz CEBGGYMBGUGCBU-NWDGAFQWSA-N 1 2 322.365 1.826 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459075 357590196 /nfs/dbraw/zinc/59/01/96/357590196.db2.gz DLOZRGFBTVYMOK-VIFPVBQESA-N 1 2 303.322 1.861 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2C)c(C)c1[N+](=O)[O-] ZINC000598608343 357651520 /nfs/dbraw/zinc/65/15/20/357651520.db2.gz RJMIIPHRJPSFTF-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598946939 357770849 /nfs/dbraw/zinc/77/08/49/357770849.db2.gz JADRAIORASEGIO-ZJUUUORDSA-N 1 2 318.308 1.775 20 5 DDBDLO CNc1c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000598948489 357772526 /nfs/dbraw/zinc/77/25/26/357772526.db2.gz QOLUBXZQMUETEA-JTQLQIEISA-N 1 2 315.333 1.578 20 5 DDBDLO COc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598950591 357773519 /nfs/dbraw/zinc/77/35/19/357773519.db2.gz SIKPHRNRROOASG-NSHDSACASA-N 1 2 316.317 1.545 20 5 DDBDLO C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000599020777 357796355 /nfs/dbraw/zinc/79/63/55/357796355.db2.gz CNTQKPYAHVCQLR-RYUDHWBXSA-N 1 2 322.365 1.286 20 5 DDBDLO C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1ccccc1[N+](=O)[O-] 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COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373973642 307198804 /nfs/dbraw/zinc/19/88/04/307198804.db2.gz BQERCNVJRSEYTG-OAHLLOKOSA-N 1 2 321.333 1.678 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373973642 307198805 /nfs/dbraw/zinc/19/88/05/307198805.db2.gz BQERCNVJRSEYTG-OAHLLOKOSA-N 1 2 321.333 1.678 20 5 DDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000518219219 307441786 /nfs/dbraw/zinc/44/17/86/307441786.db2.gz HDDJOZAKVVQGPH-UHFFFAOYSA-N 1 2 303.322 1.324 20 5 DDBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000577479519 308391145 /nfs/dbraw/zinc/39/11/45/308391145.db2.gz JNMOKHVCXGRENP-CQSZACIVSA-N 1 2 323.349 1.711 20 5 DDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000585231039 483924195 /nfs/dbraw/zinc/92/41/95/483924195.db2.gz FJQURFAQILGFKO-UHFFFAOYSA-N 1 2 310.273 1.823 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446069173 534338186 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DDBDLO CSCCC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000799160453 700124471 /nfs/dbraw/zinc/12/44/71/700124471.db2.gz SVIYWKJYCJQQPL-UHFFFAOYSA-N 1 2 323.374 1.833 20 5 DDBDLO Cc1nn(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000173372446 697377761 /nfs/dbraw/zinc/37/77/61/697377761.db2.gz VNPBCKKISNYAHE-AWEZNQCLSA-N 1 2 323.397 1.162 20 5 DDBDLO Cc1nn(C[N@H+]2CCC[C@H]2CN2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000173372446 697377763 /nfs/dbraw/zinc/37/77/63/697377763.db2.gz VNPBCKKISNYAHE-AWEZNQCLSA-N 1 2 323.397 1.162 20 5 DDBDLO Cc1nn(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000784000313 698901366 /nfs/dbraw/zinc/90/13/66/698901366.db2.gz GMUIOVZSNIAMDQ-CYBMUJFWSA-N 1 2 324.381 1.575 20 5 DDBDLO C[C@H](CO)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675037 699090947 /nfs/dbraw/zinc/09/09/47/699090947.db2.gz AHAFOQFXSGBKGN-SNVBAGLBSA-N 1 2 305.290 1.566 20 5 DDBDLO COc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000787593985 699221320 /nfs/dbraw/zinc/22/13/20/699221320.db2.gz YPRBEKGWLQKLBY-UHFFFAOYSA-N 1 2 303.274 1.938 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1Cl ZINC000787994877 699265461 /nfs/dbraw/zinc/26/54/61/699265461.db2.gz GDPJASZHDKXFRV-MFKMUULPSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1Cl ZINC000787994877 699265463 /nfs/dbraw/zinc/26/54/63/699265463.db2.gz GDPJASZHDKXFRV-MFKMUULPSA-N 1 2 300.742 1.423 20 5 DDBDLO COC[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794630286 699819754 /nfs/dbraw/zinc/81/97/54/699819754.db2.gz FANVDZHOTFYDKI-JTQLQIEISA-N 1 2 307.306 1.571 20 5 DDBDLO COC[C@@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794630286 699819755 /nfs/dbraw/zinc/81/97/55/699819755.db2.gz FANVDZHOTFYDKI-JTQLQIEISA-N 1 2 307.306 1.571 20 5 DDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000804334076 701179368 /nfs/dbraw/zinc/17/93/68/701179368.db2.gz XZXXZVHHOLECQP-JTQLQIEISA-N 1 2 304.281 1.675 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808119 701204488 /nfs/dbraw/zinc/20/44/88/701204488.db2.gz POBDZKMJJDYNBF-MRVPVSSYSA-N 1 2 316.364 1.220 20 5 DDBDLO C[N@@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000768884773 701213880 /nfs/dbraw/zinc/21/38/80/701213880.db2.gz XVIHIOHUGOZQEQ-UHFFFAOYSA-N 1 2 319.408 1.371 20 5 DDBDLO C[N@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000768884773 701213882 /nfs/dbraw/zinc/21/38/82/701213882.db2.gz XVIHIOHUGOZQEQ-UHFFFAOYSA-N 1 2 319.408 1.371 20 5 DDBDLO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000769793465 701256159 /nfs/dbraw/zinc/25/61/59/701256159.db2.gz MXWFXBIQVZZARH-GWCFXTLKSA-N 1 2 324.406 1.600 20 5 DDBDLO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769793465 701256161 /nfs/dbraw/zinc/25/61/61/701256161.db2.gz MXWFXBIQVZZARH-GWCFXTLKSA-N 1 2 324.406 1.600 20 5 DDBDLO Cc1c(C(=O)OCCn2cc[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771918054 701336864 /nfs/dbraw/zinc/33/68/64/701336864.db2.gz JNWHEMUYMDKTOK-UHFFFAOYSA-N 1 2 320.261 1.865 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808751879 701535068 /nfs/dbraw/zinc/53/50/68/701535068.db2.gz NYQJPQKPCHLDSW-RNCFNFMXSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808751879 701535069 /nfs/dbraw/zinc/53/50/69/701535069.db2.gz NYQJPQKPCHLDSW-RNCFNFMXSA-N 1 2 300.742 1.423 20 5 DDBDLO O=C1N[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2CO1 ZINC000830943313 706607403 /nfs/dbraw/zinc/60/74/03/706607403.db2.gz GAHHCTMZIBIFOO-MFKMUULPSA-N 1 2 309.297 1.664 20 5 DDBDLO O=C1N[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2CO1 ZINC000830943313 706607405 /nfs/dbraw/zinc/60/74/05/706607405.db2.gz GAHHCTMZIBIFOO-MFKMUULPSA-N 1 2 309.297 1.664 20 5 DDBDLO CNC(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000839665231 701772669 /nfs/dbraw/zinc/77/26/69/701772669.db2.gz DRWBFSQEFXUCJA-UHFFFAOYSA-N 1 2 310.329 1.627 20 5 DDBDLO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000839796393 701829593 /nfs/dbraw/zinc/82/95/93/701829593.db2.gz DXEHRVXKUPOHIY-ZYHUDNBSSA-N 1 2 311.313 1.370 20 5 DDBDLO COC[C@@H]1CC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840082293 701957693 /nfs/dbraw/zinc/95/76/93/701957693.db2.gz AIQHIHFTJZFYEJ-ZDUSSCGKSA-N 1 2 303.322 1.532 20 5 DDBDLO COC[C@@H]1CC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840082293 701957697 /nfs/dbraw/zinc/95/76/97/701957697.db2.gz AIQHIHFTJZFYEJ-ZDUSSCGKSA-N 1 2 303.322 1.532 20 5 DDBDLO Cc1nn(CN2CCn3c[nH+]cc3C2)c2cc([N+](=O)[O-])ccc12 ZINC000811787706 702058957 /nfs/dbraw/zinc/05/89/57/702058957.db2.gz RYGNVESXKMOMCN-UHFFFAOYSA-N 1 2 312.333 1.923 20 5 DDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000843884380 702938103 /nfs/dbraw/zinc/93/81/03/702938103.db2.gz SAZHUFSSWPMPFK-SNVBAGLBSA-N 1 2 318.308 1.984 20 5 DDBDLO Cn1cc(COC(=O)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000847785339 703466391 /nfs/dbraw/zinc/46/63/91/703466391.db2.gz MYVREJQIHGCOJD-ZDUSSCGKSA-N 1 2 318.333 1.674 20 5 DDBDLO CCOCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835078552 707167870 /nfs/dbraw/zinc/16/78/70/707167870.db2.gz NKTPZGJZTMAEAX-UHFFFAOYSA-N 1 2 305.290 1.974 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3ncncc3C2)c1 ZINC000880595556 707033239 /nfs/dbraw/zinc/03/32/39/707033239.db2.gz WCXPTLPHRZVKDC-UHFFFAOYSA-N 1 2 300.318 1.822 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ncncc3C2)c1 ZINC000880595556 707033241 /nfs/dbraw/zinc/03/32/41/707033241.db2.gz WCXPTLPHRZVKDC-UHFFFAOYSA-N 1 2 300.318 1.822 20 5 DDBDLO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054383 707285908 /nfs/dbraw/zinc/28/59/08/707285908.db2.gz UUYPTVRFMRCDTA-JTQLQIEISA-N 1 2 311.313 1.243 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886816073 708851768 /nfs/dbraw/zinc/85/17/68/708851768.db2.gz NLYDOVZCZWIXTH-LLVKDONJSA-N 1 2 305.256 1.737 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886816073 708851770 /nfs/dbraw/zinc/85/17/70/708851770.db2.gz NLYDOVZCZWIXTH-LLVKDONJSA-N 1 2 305.256 1.737 20 5 DDBDLO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895247160 711464785 /nfs/dbraw/zinc/46/47/85/711464785.db2.gz FEOHBFKRLSFPLT-NXEZZACHSA-N 1 2 324.410 1.350 20 5 DDBDLO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895247160 711464787 /nfs/dbraw/zinc/46/47/87/711464787.db2.gz FEOHBFKRLSFPLT-NXEZZACHSA-N 1 2 324.410 1.350 20 5 DDBDLO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000921412373 713761324 /nfs/dbraw/zinc/76/13/24/713761324.db2.gz MPZJMXOLBONVER-LLVKDONJSA-N 1 2 313.379 1.140 20 5 DDBDLO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000921412373 713761326 /nfs/dbraw/zinc/76/13/26/713761326.db2.gz MPZJMXOLBONVER-LLVKDONJSA-N 1 2 313.379 1.140 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167125939 732706641 /nfs/dbraw/zinc/70/66/41/732706641.db2.gz KERVHQJZJHQQBD-UHFFFAOYSA-N 1 2 323.740 1.920 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001059283699 740559641 /nfs/dbraw/zinc/55/96/41/740559641.db2.gz LBQOCRVLNYZFAG-MGCOHNPYSA-N 1 2 316.321 1.015 20 5 DDBDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195144293 746538265 /nfs/dbraw/zinc/53/82/65/746538265.db2.gz BNEKZBROVDFERR-PHIMTYICSA-N 1 2 311.363 1.062 20 5 DDBDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195144293 746538268 /nfs/dbraw/zinc/53/82/68/746538268.db2.gz BNEKZBROVDFERR-PHIMTYICSA-N 1 2 311.363 1.062 20 5 DDBDLO C[C@@H](O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168982058 762150465 /nfs/dbraw/zinc/15/04/65/762150465.db2.gz ICHDQWHPYQNQFB-WYUUTHIRSA-N 1 2 302.371 1.113 20 5 DDBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957399 762153923 /nfs/dbraw/zinc/15/39/23/762153923.db2.gz HGAOQCAKGVRHBE-KKUMJFAQSA-N 1 2 306.362 1.806 20 5 DDBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC001170334667 766258033 /nfs/dbraw/zinc/25/80/33/766258033.db2.gz HLLOHXADZGPJHF-GFCCVEGCSA-N 1 2 321.377 1.699 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094856101 776544389 /nfs/dbraw/zinc/54/43/89/776544389.db2.gz OLPCTBVZZPTCSY-UHFFFAOYSA-N 1 2 317.349 1.869 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094856101 776544400 /nfs/dbraw/zinc/54/44/00/776544400.db2.gz OLPCTBVZZPTCSY-UHFFFAOYSA-N 1 2 317.349 1.869 20 5 DDBDLO COc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1[N+](=O)[O-] ZINC001116754153 780553256 /nfs/dbraw/zinc/55/32/56/780553256.db2.gz XYOBXRPAWAEZRG-UHFFFAOYSA-N 1 2 319.321 1.015 20 5 DDBDLO O=C(NOCC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001328018125 862637774 /nfs/dbraw/zinc/63/77/74/862637774.db2.gz YQZSTMNJCHZUBP-UHFFFAOYSA-N 1 2 302.290 1.852 20 5 DDBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1CN(c2cccc[nH+]2)C1 ZINC001161321099 866527095 /nfs/dbraw/zinc/52/70/95/866527095.db2.gz XTIMLCLPHMEYNA-UHFFFAOYSA-N 1 2 301.306 1.232 20 5 DDBDLO O=[N+]([O-])CC[NH2+][C@H](CCO)c1ccccc1Br ZINC001334687594 867770372 /nfs/dbraw/zinc/77/03/72/867770372.db2.gz XTUFNYSZSPXQOQ-LLVKDONJSA-N 1 2 303.156 1.739 20 5 DDBDLO CCc1[nH]c(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1 ZINC001307218593 871413340 /nfs/dbraw/zinc/41/33/40/871413340.db2.gz BUUGJYNDTLVCEI-UHFFFAOYSA-N 1 2 324.362 1.896 20 5 DDBDLO CCc1[nH]cc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[nH+]1 ZINC001307218593 871413347 /nfs/dbraw/zinc/41/33/47/871413347.db2.gz BUUGJYNDTLVCEI-UHFFFAOYSA-N 1 2 324.362 1.896 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)Oc1nc2ccc([N+](=O)[O-])cc2o1 ZINC001227233915 882923967 /nfs/dbraw/zinc/92/39/67/882923967.db2.gz JEKQORGXMIDPNI-SNVBAGLBSA-N 1 2 307.306 1.836 20 5 DDBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3Cl)[C@H]1CC(=O)C2 ZINC001229915117 884232398 /nfs/dbraw/zinc/23/23/98/884232398.db2.gz JOQKBICIICLQDR-NMLBEHRDSA-N 1 2 311.725 1.826 20 5 DDBDLO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3Cl)[C@H]1CC(=O)C2 ZINC001229915117 884232414 /nfs/dbraw/zinc/23/24/14/884232414.db2.gz JOQKBICIICLQDR-NMLBEHRDSA-N 1 2 311.725 1.826 20 5 DDBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CSCC[NH2+]2)n1 ZINC001248601726 893656765 /nfs/dbraw/zinc/65/67/65/893656765.db2.gz QYISXJJWVGRKBD-ZETCQYMHSA-N 1 2 311.298 1.556 20 5 DDBDLO Cc1nc(Nc2ccc(N3CCOCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000450228316 230699073 /nfs/dbraw/zinc/69/90/73/230699073.db2.gz BCAMUKVEOCWZEM-UHFFFAOYSA-N 1 2 316.321 1.668 20 5 DDBDLO COc1cc(C[N@H+](CCO)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000305802523 231059925 /nfs/dbraw/zinc/05/99/25/231059925.db2.gz FFERHFVFATVJHK-UHFFFAOYSA-N 1 2 317.345 1.993 20 5 DDBDLO COc1cc(C[N@@H+](CCO)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000305802523 231059929 /nfs/dbraw/zinc/05/99/29/231059929.db2.gz FFERHFVFATVJHK-UHFFFAOYSA-N 1 2 317.345 1.993 20 5 DDBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnn(C)n1 ZINC000494382080 529534255 /nfs/dbraw/zinc/53/42/55/529534255.db2.gz CWSCDBHRXMGYDR-JTQLQIEISA-N 1 2 322.394 1.779 20 5 DDBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255398803 282255485 /nfs/dbraw/zinc/25/54/85/282255485.db2.gz YMQPMOHVTABWDE-AGLBCWCQSA-N 1 2 310.375 1.727 20 5 DDBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255398803 282255488 /nfs/dbraw/zinc/25/54/88/282255488.db2.gz YMQPMOHVTABWDE-AGLBCWCQSA-N 1 2 310.375 1.727 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000617405072 363089646 /nfs/dbraw/zinc/08/96/46/363089646.db2.gz ZVCRXHKXAXIERQ-LLVKDONJSA-N 1 2 318.337 1.485 20 5 DDBDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014923972 352151409 /nfs/dbraw/zinc/15/14/09/352151409.db2.gz WEEHKXUAHLRCMZ-ZDUSSCGKSA-N 1 2 320.393 1.632 20 5 DDBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000046055258 352434729 /nfs/dbraw/zinc/43/47/29/352434729.db2.gz GHEJLUOTXOLOMV-LBPRGKRZSA-N 1 2 314.363 1.093 20 5 DDBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000046055258 352434731 /nfs/dbraw/zinc/43/47/31/352434731.db2.gz GHEJLUOTXOLOMV-LBPRGKRZSA-N 1 2 314.363 1.093 20 5 DDBDLO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000046483395 352454315 /nfs/dbraw/zinc/45/43/15/352454315.db2.gz SHTDVFLCLBVQDN-VIFPVBQESA-N 1 2 311.367 1.437 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000047265056 352488811 /nfs/dbraw/zinc/48/88/11/352488811.db2.gz RZYGIEZEGPDQFQ-NSHDSACASA-N 1 2 317.349 1.676 20 5 DDBDLO Cc1nnc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000331890070 234240629 /nfs/dbraw/zinc/24/06/29/234240629.db2.gz HGJBBERZNDSALD-SECBINFHSA-N 1 2 306.326 1.881 20 5 DDBDLO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080375208 353604360 /nfs/dbraw/zinc/60/43/60/353604360.db2.gz VRVMWDVZECNDHF-UHFFFAOYSA-N 1 2 304.306 1.625 20 5 DDBDLO COc1cc(F)c([N+](=O)[O-])c(N(C)CC[NH+]2CCOCC2)c1 ZINC000080611195 353618028 /nfs/dbraw/zinc/61/80/28/353618028.db2.gz KEVPPNAVYCZEPL-UHFFFAOYSA-N 1 2 313.329 1.511 20 5 DDBDLO CCc1nn(C)c(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000094133083 353910231 /nfs/dbraw/zinc/91/02/31/353910231.db2.gz YVIMHCHQAKNRHM-UHFFFAOYSA-N 1 2 319.365 1.806 20 5 DDBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000073396958 191311834 /nfs/dbraw/zinc/31/18/34/191311834.db2.gz NGHIVUNCKOSDRO-GFCCVEGCSA-N 1 2 319.317 1.926 20 5 DDBDLO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(F)F ZINC000494252978 235011566 /nfs/dbraw/zinc/01/15/66/235011566.db2.gz CZHGMASGXUOTKN-ONGXEEELSA-N 1 2 304.297 1.129 20 5 DDBDLO C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(F)F ZINC000494252978 235011569 /nfs/dbraw/zinc/01/15/69/235011569.db2.gz CZHGMASGXUOTKN-ONGXEEELSA-N 1 2 304.297 1.129 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000590599027 355125885 /nfs/dbraw/zinc/12/58/85/355125885.db2.gz DHWBUBIPDUEQAJ-NSHDSACASA-N 1 2 315.333 1.634 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094289 355794216 /nfs/dbraw/zinc/79/42/16/355794216.db2.gz ZDQBPCQZCVMWNI-LLVKDONJSA-N 1 2 319.361 1.837 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094289 355794219 /nfs/dbraw/zinc/79/42/19/355794219.db2.gz ZDQBPCQZCVMWNI-LLVKDONJSA-N 1 2 319.361 1.837 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026656 356094430 /nfs/dbraw/zinc/09/44/30/356094430.db2.gz MPMLYVAWLUYITF-GFCCVEGCSA-N 1 2 316.365 1.607 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595101300 356382401 /nfs/dbraw/zinc/38/24/01/356382401.db2.gz CVOGJSOUCMSDOD-UBHSHLNASA-N 1 2 302.334 1.531 20 5 DDBDLO CCN1CC[C@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000595291788 356435705 /nfs/dbraw/zinc/43/57/05/356435705.db2.gz RMZBGKUSIJROMU-HNNXBMFYSA-N 1 2 318.377 1.338 20 5 DDBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1n[nH]c(=O)o1 ZINC000595546388 356543799 /nfs/dbraw/zinc/54/37/99/356543799.db2.gz HFJIHVVZEKGKEI-UHFFFAOYSA-N 1 2 308.294 1.584 20 5 DDBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1n[nH]c(=O)o1 ZINC000595546388 356543803 /nfs/dbraw/zinc/54/38/03/356543803.db2.gz HFJIHVVZEKGKEI-UHFFFAOYSA-N 1 2 308.294 1.584 20 5 DDBDLO CN1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1=O ZINC000595780919 356649930 /nfs/dbraw/zinc/64/99/30/356649930.db2.gz DDQXYHQXUWCMLW-UHFFFAOYSA-N 1 2 304.306 1.400 20 5 DDBDLO CN1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1=O ZINC000595780919 356649933 /nfs/dbraw/zinc/64/99/33/356649933.db2.gz DDQXYHQXUWCMLW-UHFFFAOYSA-N 1 2 304.306 1.400 20 5 DDBDLO Nc1ccc(N2CC[NH+](Cc3ccccn3)CC2)nc1[N+](=O)[O-] ZINC000596061453 356757510 /nfs/dbraw/zinc/75/75/10/356757510.db2.gz QUVMXOPYUPAFMD-UHFFFAOYSA-N 1 2 314.349 1.289 20 5 DDBDLO O=c1[nH]ccc(N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000596064001 356758380 /nfs/dbraw/zinc/75/83/80/356758380.db2.gz ACBBDEGUDBZWQV-UHFFFAOYSA-N 1 2 315.333 1.413 20 5 DDBDLO Cc1ccnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596246851 356831346 /nfs/dbraw/zinc/83/13/46/356831346.db2.gz ILKZYCWKAIDGKM-ZDUSSCGKSA-N 1 2 306.366 1.599 20 5 DDBDLO CCc1cc(NC/C=C\CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596421315 356874516 /nfs/dbraw/zinc/87/45/16/356874516.db2.gz HYSBCOFKXUULIA-ARJAWSKDSA-N 1 2 314.345 1.997 20 5 DDBDLO CCc1nn(C)c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434018 356879645 /nfs/dbraw/zinc/87/96/45/356879645.db2.gz WLNMYNJTXJDSIR-MNOVXSKESA-N 1 2 311.386 1.412 20 5 DDBDLO CCc1nn(C)c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434018 356879647 /nfs/dbraw/zinc/87/96/47/356879647.db2.gz WLNMYNJTXJDSIR-MNOVXSKESA-N 1 2 311.386 1.412 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)CO ZINC000597847255 357356072 /nfs/dbraw/zinc/35/60/72/357356072.db2.gz PDQBRNJIVMVOBR-NSHDSACASA-N 1 2 321.337 1.146 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000598001265 357417854 /nfs/dbraw/zinc/41/78/54/357417854.db2.gz YIHXXVZPNQWMNJ-GHMZBOCLSA-N 1 2 322.365 1.137 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000598001265 357417861 /nfs/dbraw/zinc/41/78/61/357417861.db2.gz YIHXXVZPNQWMNJ-GHMZBOCLSA-N 1 2 322.365 1.137 20 5 DDBDLO COc1cccc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598464149 357591929 /nfs/dbraw/zinc/59/19/29/357591929.db2.gz GJZPISWYQFXBPU-SECBINFHSA-N 1 2 304.306 1.828 20 5 DDBDLO CNc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598943078 357767399 /nfs/dbraw/zinc/76/73/99/357767399.db2.gz PRAALLGEOGWPNM-JTQLQIEISA-N 1 2 301.306 1.188 20 5 DDBDLO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179526141 199050602 /nfs/dbraw/zinc/05/06/02/199050602.db2.gz FKCNKBLXVWIVTE-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179526141 199050604 /nfs/dbraw/zinc/05/06/04/199050604.db2.gz FKCNKBLXVWIVTE-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO COC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000599692216 358027999 /nfs/dbraw/zinc/02/79/99/358027999.db2.gz CYSZSNLMGBQPNV-HNNXBMFYSA-N 1 2 310.350 1.841 20 5 DDBDLO COC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000599692216 358028001 /nfs/dbraw/zinc/02/80/01/358028001.db2.gz CYSZSNLMGBQPNV-HNNXBMFYSA-N 1 2 310.350 1.841 20 5 DDBDLO C[C@@H](CO)Nc1ccc(-c2cc([N+](=O)[O-])ccc2CO)c[nH+]1 ZINC000600781494 358313598 /nfs/dbraw/zinc/31/35/98/358313598.db2.gz CWGWJQXZBPIXTM-JTQLQIEISA-N 1 2 303.318 1.942 20 5 DDBDLO COc1ccncc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150049 358422306 /nfs/dbraw/zinc/42/23/06/358422306.db2.gz SUZDJCSMRMIFPD-INIZCTEOSA-N 1 2 317.345 1.996 20 5 DDBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000565585039 304077883 /nfs/dbraw/zinc/07/78/83/304077883.db2.gz PQHNYKTYJYXWHZ-AWEZNQCLSA-N 1 2 323.349 1.711 20 5 DDBDLO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000602174842 358864294 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O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000275019152 212076428 /nfs/dbraw/zinc/07/64/28/212076428.db2.gz TVQUHKHIWCQNMW-UHFFFAOYSA-N 1 2 320.736 1.890 20 5 DDBDLO COC(=O)C[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000267797947 206290274 /nfs/dbraw/zinc/29/02/74/206290274.db2.gz YSAUREQNKDRJFO-UHFFFAOYSA-N 1 2 324.333 1.620 20 5 DDBDLO COC(=O)C[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000267797947 206290278 /nfs/dbraw/zinc/29/02/78/206290278.db2.gz YSAUREQNKDRJFO-UHFFFAOYSA-N 1 2 324.333 1.620 20 5 DDBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000171696241 248323446 /nfs/dbraw/zinc/32/34/46/248323446.db2.gz YCTWVASJVTVDNY-LLVKDONJSA-N 1 2 321.402 1.921 20 5 DDBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000171696241 248323450 /nfs/dbraw/zinc/32/34/50/248323450.db2.gz YCTWVASJVTVDNY-LLVKDONJSA-N 1 2 321.402 1.921 20 5 DDBDLO Cn1ccnc1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105931066 194172544 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1.975 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000292896002 533367986 /nfs/dbraw/zinc/36/79/86/533367986.db2.gz ZNEXOCRIBFKYSV-DIECRNLCSA-N 1 2 324.402 1.975 20 5 DDBDLO Cc1ccc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000267476284 292134784 /nfs/dbraw/zinc/13/47/84/292134784.db2.gz ARTAALBKOVBDII-UHFFFAOYSA-N 1 2 306.366 1.289 20 5 DDBDLO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000170923098 407558416 /nfs/dbraw/zinc/55/84/16/407558416.db2.gz FATIIWFGKUWVOB-FZMZJTMJSA-N 1 2 322.365 1.286 20 5 DDBDLO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000170923098 407558420 /nfs/dbraw/zinc/55/84/20/407558420.db2.gz FATIIWFGKUWVOB-FZMZJTMJSA-N 1 2 322.365 1.286 20 5 DDBDLO O=C(NCc1[nH]cc[nH+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114335568 407560008 /nfs/dbraw/zinc/56/00/08/407560008.db2.gz CUTVKNZAXJIJRZ-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000068958028 406672427 /nfs/dbraw/zinc/67/24/27/406672427.db2.gz BQQKKMNLOVTUNP-HNNXBMFYSA-N 1 2 319.361 1.532 20 5 DDBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000015308250 406880292 /nfs/dbraw/zinc/88/02/92/406880292.db2.gz KDIMZQFUPRVYFZ-UHFFFAOYSA-N 1 2 320.393 1.237 20 5 DDBDLO CC(C)NC(=O)CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000015308250 406880295 /nfs/dbraw/zinc/88/02/95/406880295.db2.gz KDIMZQFUPRVYFZ-UHFFFAOYSA-N 1 2 320.393 1.237 20 5 DDBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000036869948 406983583 /nfs/dbraw/zinc/98/35/83/406983583.db2.gz UNSAGBBOYRFPMB-JTQLQIEISA-N 1 2 318.782 1.867 20 5 DDBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000036869948 406983586 /nfs/dbraw/zinc/98/35/86/406983586.db2.gz UNSAGBBOYRFPMB-JTQLQIEISA-N 1 2 318.782 1.867 20 5 DDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105647 407054185 /nfs/dbraw/zinc/05/41/85/407054185.db2.gz ASURXSLKQNYZPG-UHFFFAOYSA-N 1 2 312.289 1.616 20 5 DDBDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743944 407080881 /nfs/dbraw/zinc/08/08/81/407080881.db2.gz PVFAOHPNJJWGAF-ZDUSSCGKSA-N 1 2 320.393 1.632 20 5 DDBDLO COCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066743889 407258550 /nfs/dbraw/zinc/25/85/50/407258550.db2.gz FFVRJCNIWSDQJR-UHFFFAOYSA-N 1 2 318.333 1.935 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000126341259 407411371 /nfs/dbraw/zinc/41/13/71/407411371.db2.gz APMCDKMYMPDPOO-NSHDSACASA-N 1 2 318.308 1.984 20 5 DDBDLO COc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000111686755 407414035 /nfs/dbraw/zinc/41/40/35/407414035.db2.gz AGVJRJNNVGUMCF-UHFFFAOYSA-N 1 2 308.338 1.190 20 5 DDBDLO COc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000111686755 407414037 /nfs/dbraw/zinc/41/40/37/407414037.db2.gz AGVJRJNNVGUMCF-UHFFFAOYSA-N 1 2 308.338 1.190 20 5 DDBDLO COC(=O)C(C)(C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266522397 407543861 /nfs/dbraw/zinc/54/38/61/407543861.db2.gz IXYGBYAKOQWHLX-UHFFFAOYSA-N 1 2 312.322 1.523 20 5 DDBDLO Cc1cccc2[nH+]c(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cn21 ZINC000171940501 407793527 /nfs/dbraw/zinc/79/35/27/407793527.db2.gz JEUYITZRUPFQQW-UHFFFAOYSA-N 1 2 314.305 1.064 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000268396961 408028093 /nfs/dbraw/zinc/02/80/93/408028093.db2.gz FFMGEBJLQCYPDE-CQSZACIVSA-N 1 2 305.334 1.142 20 5 DDBDLO CC(C)c1nnc2n1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]2C ZINC000189565205 408054653 /nfs/dbraw/zinc/05/46/53/408054653.db2.gz KHNAPDYMXNIRNF-LLVKDONJSA-N 1 2 319.369 1.583 20 5 DDBDLO CC(C)c1nnc2n1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]2C ZINC000189565205 408054659 /nfs/dbraw/zinc/05/46/59/408054659.db2.gz KHNAPDYMXNIRNF-LLVKDONJSA-N 1 2 319.369 1.583 20 5 DDBDLO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000175569383 408162886 /nfs/dbraw/zinc/16/28/86/408162886.db2.gz ZONJWSUMQVSZTF-UHFFFAOYSA-N 1 2 307.350 1.714 20 5 DDBDLO CC1(C)C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000190791877 408320277 /nfs/dbraw/zinc/32/02/77/408320277.db2.gz YHMWOXWRSWHNSG-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000190791877 408320283 /nfs/dbraw/zinc/32/02/83/408320283.db2.gz YHMWOXWRSWHNSG-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO CC(=O)NC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000246747683 408329578 /nfs/dbraw/zinc/32/95/78/408329578.db2.gz RQCNZPXAAZPDLH-NHYWBVRUSA-N 1 2 307.350 1.493 20 5 DDBDLO CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000246747683 408329580 /nfs/dbraw/zinc/32/95/80/408329580.db2.gz RQCNZPXAAZPDLH-NHYWBVRUSA-N 1 2 307.350 1.493 20 5 DDBDLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191280002 408399332 /nfs/dbraw/zinc/39/93/32/408399332.db2.gz PYUJCLQVGQJZPX-GHMZBOCLSA-N 1 2 307.350 1.767 20 5 DDBDLO COc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000247525881 408487728 /nfs/dbraw/zinc/48/77/28/408487728.db2.gz ZKTTYFGKMPZDJZ-CVEARBPZSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000247525881 408487729 /nfs/dbraw/zinc/48/77/29/408487729.db2.gz ZKTTYFGKMPZDJZ-CVEARBPZSA-N 1 2 322.361 1.983 20 5 DDBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176877089 408465084 /nfs/dbraw/zinc/46/50/84/408465084.db2.gz GQOIFCXGMWARJU-UHFFFAOYSA-N 1 2 317.349 1.960 20 5 DDBDLO COC(=O)[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000248987729 408672835 /nfs/dbraw/zinc/67/28/35/408672835.db2.gz FJLVUOAFJBWIAJ-COPLHBTASA-N 1 2 310.350 1.428 20 5 DDBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000251849610 408787772 /nfs/dbraw/zinc/78/77/72/408787772.db2.gz PUULNAQJLOQFSK-UWVGGRQHSA-N 1 2 313.379 1.183 20 5 DDBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000251849610 408787774 /nfs/dbraw/zinc/78/77/74/408787774.db2.gz PUULNAQJLOQFSK-UWVGGRQHSA-N 1 2 313.379 1.183 20 5 DDBDLO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000185130338 408764027 /nfs/dbraw/zinc/76/40/27/408764027.db2.gz LUFIJKYAIYPZHX-LBPRGKRZSA-N 1 2 319.317 1.840 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000280961441 408865998 /nfs/dbraw/zinc/86/59/98/408865998.db2.gz NKWXSRRCAIYAQJ-UHFFFAOYSA-N 1 2 319.361 1.914 20 5 DDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000284221760 409298968 /nfs/dbraw/zinc/29/89/68/409298968.db2.gz ULTPOBHXNJRZOT-UHFFFAOYSA-N 1 2 322.321 1.733 20 5 DDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000284221760 409298971 /nfs/dbraw/zinc/29/89/71/409298971.db2.gz ULTPOBHXNJRZOT-UHFFFAOYSA-N 1 2 322.321 1.733 20 5 DDBDLO COC(=O)[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000284953586 409375500 /nfs/dbraw/zinc/37/55/00/409375500.db2.gz JHDNYUUOKURRAM-AWEZNQCLSA-N 1 2 324.333 1.523 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000317391117 164027038 /nfs/dbraw/zinc/02/70/38/164027038.db2.gz MKUGHMJOOYDALS-SNVBAGLBSA-N 1 2 324.362 1.695 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000318492572 164031708 /nfs/dbraw/zinc/03/17/08/164031708.db2.gz CYGBTJAQWSUVOX-LLVKDONJSA-N 1 2 305.334 1.611 20 5 DDBDLO Cc1n[nH]c(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000354881320 410146756 /nfs/dbraw/zinc/14/67/56/410146756.db2.gz GBTSEAKWOWCZNI-UHFFFAOYSA-N 1 2 314.305 1.512 20 5 DDBDLO Cc1ccnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000332435024 410155854 /nfs/dbraw/zinc/15/58/54/410155854.db2.gz GKVXNDMNBHUTGA-UHFFFAOYSA-N 1 2 302.338 1.727 20 5 DDBDLO COC(=O)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355124560 410326504 /nfs/dbraw/zinc/32/65/04/410326504.db2.gz CEZLVUDKBMDZPX-NXEZZACHSA-N 1 2 309.322 1.463 20 5 DDBDLO COc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000351981928 410390517 /nfs/dbraw/zinc/39/05/17/410390517.db2.gz BIWFCUPFFGNBPI-LLVKDONJSA-N 1 2 314.363 1.222 20 5 DDBDLO COc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000351981928 410390526 /nfs/dbraw/zinc/39/05/26/410390526.db2.gz BIWFCUPFFGNBPI-LLVKDONJSA-N 1 2 314.363 1.222 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000352081117 410466056 /nfs/dbraw/zinc/46/60/56/410466056.db2.gz CTGDRFZXMUEBCZ-ZIAGYGMSSA-N 1 2 311.769 1.763 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000352081117 410466058 /nfs/dbraw/zinc/46/60/58/410466058.db2.gz CTGDRFZXMUEBCZ-ZIAGYGMSSA-N 1 2 311.769 1.763 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000348303490 410910536 /nfs/dbraw/zinc/91/05/36/410910536.db2.gz NBBJWPSWFXMNSY-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000348303490 410910542 /nfs/dbraw/zinc/91/05/42/410910542.db2.gz NBBJWPSWFXMNSY-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000331060622 410924519 /nfs/dbraw/zinc/92/45/19/410924519.db2.gz NRDKLGBLMHJWKA-SNVBAGLBSA-N 1 2 308.260 1.218 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000331060622 410924525 /nfs/dbraw/zinc/92/45/25/410924525.db2.gz NRDKLGBLMHJWKA-SNVBAGLBSA-N 1 2 308.260 1.218 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189839496 222059513 /nfs/dbraw/zinc/05/95/13/222059513.db2.gz ZVTDGZMWPWKRLX-AWEZNQCLSA-N 1 2 321.377 1.820 20 5 DDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189839496 222059516 /nfs/dbraw/zinc/05/95/16/222059516.db2.gz ZVTDGZMWPWKRLX-AWEZNQCLSA-N 1 2 321.377 1.820 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 ZINC000427772387 419731186 /nfs/dbraw/zinc/73/11/86/419731186.db2.gz VALUQSOLQXFILH-LLVKDONJSA-N 1 2 322.365 1.018 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 ZINC000427772387 419731192 /nfs/dbraw/zinc/73/11/92/419731192.db2.gz VALUQSOLQXFILH-LLVKDONJSA-N 1 2 322.365 1.018 20 5 DDBDLO Cc1nnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000428387961 419860973 /nfs/dbraw/zinc/86/09/73/419860973.db2.gz ZLLOVBGUNQCHRC-SNVBAGLBSA-N 1 2 303.326 1.103 20 5 DDBDLO Cc1nnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000428387961 419860979 /nfs/dbraw/zinc/86/09/79/419860979.db2.gz ZLLOVBGUNQCHRC-SNVBAGLBSA-N 1 2 303.326 1.103 20 5 DDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435043897 229354439 /nfs/dbraw/zinc/35/44/39/229354439.db2.gz RJZADUNPQFTBLV-KOLCDFICSA-N 1 2 316.317 1.589 20 5 DDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435043897 229354440 /nfs/dbraw/zinc/35/44/40/229354440.db2.gz RJZADUNPQFTBLV-KOLCDFICSA-N 1 2 316.317 1.589 20 5 DDBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000492722808 420640993 /nfs/dbraw/zinc/64/09/93/420640993.db2.gz VOWDUZSUODGRCE-GFUIURDCSA-N 1 2 312.329 1.936 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001120571719 782030778 /nfs/dbraw/zinc/03/07/78/782030778.db2.gz HUKPACAOUBVPMZ-UHFFFAOYSA-N 1 2 321.377 1.854 20 5 DDBDLO Cc1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC000449648862 421045170 /nfs/dbraw/zinc/04/51/70/421045170.db2.gz UUKGPSFUEKABMY-LLVKDONJSA-N 1 2 313.304 1.878 20 5 DDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449650328 421045373 /nfs/dbraw/zinc/04/53/73/421045373.db2.gz KZHLYJWTOYYCCJ-LLVKDONJSA-N 1 2 313.304 1.498 20 5 DDBDLO COC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000524752516 421269200 /nfs/dbraw/zinc/26/92/00/421269200.db2.gz OEEXXHPBKAIDKQ-UHFFFAOYSA-N 1 2 308.334 1.749 20 5 DDBDLO COC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000524752516 421269203 /nfs/dbraw/zinc/26/92/03/421269203.db2.gz OEEXXHPBKAIDKQ-UHFFFAOYSA-N 1 2 308.334 1.749 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000548132538 421404596 /nfs/dbraw/zinc/40/45/96/421404596.db2.gz VDOZQBHDAOCUCU-UHFFFAOYSA-N 1 2 306.326 1.147 20 5 DDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC(n2cc[nH+]c2)C1 ZINC000531418785 421633633 /nfs/dbraw/zinc/63/36/33/421633633.db2.gz BKAQTDAREAPIMJ-UHFFFAOYSA-N 1 2 312.289 1.365 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535258159 421701848 /nfs/dbraw/zinc/70/18/48/421701848.db2.gz MTXOEINZYFSDBS-UHFFFAOYSA-N 1 2 320.374 1.942 20 5 DDBDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000541685894 421800090 /nfs/dbraw/zinc/80/00/90/421800090.db2.gz BKLMFXKCUOQCEL-VIFPVBQESA-N 1 2 319.321 1.966 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000544368601 421844583 /nfs/dbraw/zinc/84/45/83/421844583.db2.gz VLSJVINZFGMNQF-UHFFFAOYSA-N 1 2 313.317 1.782 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000544512531 421845229 /nfs/dbraw/zinc/84/52/29/421845229.db2.gz OXYRNEKQDSOKHQ-DTWKUNHWSA-N 1 2 319.321 1.964 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000578244026 422532472 /nfs/dbraw/zinc/53/24/72/422532472.db2.gz DQMNOBVDNWPOTJ-UHFFFAOYSA-N 1 2 302.334 1.922 20 5 DDBDLO C[C@@H](Nc1cccc(C(N)=O)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000342017229 271276339 /nfs/dbraw/zinc/27/63/39/271276339.db2.gz YJGSYJONGBKRKR-MNOVXSKESA-N 1 2 322.365 1.215 20 5 DDBDLO CC(=O)NC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266561583 278124006 /nfs/dbraw/zinc/12/40/06/278124006.db2.gz XYVNKRXNUZQETD-AAEUAGOBSA-N 1 2 307.350 1.493 20 5 DDBDLO CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266561583 278124007 /nfs/dbraw/zinc/12/40/07/278124007.db2.gz XYVNKRXNUZQETD-AAEUAGOBSA-N 1 2 307.350 1.493 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284167642 290113222 /nfs/dbraw/zinc/11/32/22/290113222.db2.gz RIWLZCTUOUMOJU-KGLIPLIRSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284167642 290113223 /nfs/dbraw/zinc/11/32/23/290113223.db2.gz RIWLZCTUOUMOJU-KGLIPLIRSA-N 1 2 305.334 1.140 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC000362238958 300035289 /nfs/dbraw/zinc/03/52/89/300035289.db2.gz RJIBCVNXYZRLID-NSHDSACASA-N 1 2 323.349 1.653 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000362238958 300035290 /nfs/dbraw/zinc/03/52/90/300035290.db2.gz RJIBCVNXYZRLID-NSHDSACASA-N 1 2 323.349 1.653 20 5 DDBDLO NC(=O)C[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449777770 303259310 /nfs/dbraw/zinc/25/93/10/303259310.db2.gz VKYSPESUHKYFOF-HSBHDXMMSA-N 1 2 305.334 1.184 20 5 DDBDLO NC(=O)C[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449777770 303259313 /nfs/dbraw/zinc/25/93/13/303259313.db2.gz VKYSPESUHKYFOF-HSBHDXMMSA-N 1 2 305.334 1.184 20 5 DDBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000278727368 303343437 /nfs/dbraw/zinc/34/34/37/303343437.db2.gz VNJAEPDPQXOVPE-ZDUSSCGKSA-N 1 2 315.333 1.754 20 5 DDBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000278727368 303343438 /nfs/dbraw/zinc/34/34/38/303343438.db2.gz VNJAEPDPQXOVPE-ZDUSSCGKSA-N 1 2 315.333 1.754 20 5 DDBDLO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1 ZINC000133716091 303360514 /nfs/dbraw/zinc/36/05/14/303360514.db2.gz GYTGKCKRWOFABT-CYBMUJFWSA-N 1 2 324.300 1.746 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000364534364 307047490 /nfs/dbraw/zinc/04/74/90/307047490.db2.gz RRHZVXVOEXDRMD-LBPRGKRZSA-N 1 2 315.333 1.888 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083983 307085233 /nfs/dbraw/zinc/08/52/33/307085233.db2.gz KFSKVKBSYRQAFK-CQSZACIVSA-N 1 2 313.317 1.172 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000367654983 307100550 /nfs/dbraw/zinc/10/05/50/307100550.db2.gz XPEAYPWBDNYKNI-STQMWFEESA-N 1 2 319.361 1.905 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000375738218 307230131 /nfs/dbraw/zinc/23/01/31/307230131.db2.gz LOMGYUVGWGWOAK-HZPDHXFCSA-N 1 2 322.361 1.853 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000375738218 307230132 /nfs/dbraw/zinc/23/01/32/307230132.db2.gz LOMGYUVGWGWOAK-HZPDHXFCSA-N 1 2 322.361 1.853 20 5 DDBDLO COc1c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000565106368 308020793 /nfs/dbraw/zinc/02/07/93/308020793.db2.gz FPLPDLNJJFVZOK-UHFFFAOYSA-N 1 2 304.306 1.992 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000582586723 337110193 /nfs/dbraw/zinc/11/01/93/337110193.db2.gz CNCVVIYDGIKWOC-HNNXBMFYSA-N 1 2 324.402 1.996 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000582586723 337110194 /nfs/dbraw/zinc/11/01/94/337110194.db2.gz CNCVVIYDGIKWOC-HNNXBMFYSA-N 1 2 324.402 1.996 20 5 DDBDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330833320 534699598 /nfs/dbraw/zinc/69/95/98/534699598.db2.gz ZDDHGTKBMQPQQO-SNVBAGLBSA-N 1 2 319.770 1.111 20 5 DDBDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330833320 534699606 /nfs/dbraw/zinc/69/96/06/534699606.db2.gz ZDDHGTKBMQPQQO-SNVBAGLBSA-N 1 2 319.770 1.111 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(O)ccc1[N+](=O)[O-] ZINC000318548088 534811306 /nfs/dbraw/zinc/81/13/06/534811306.db2.gz MPJSUNDKGTUYMH-GXTWGEPZSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(O)ccc1[N+](=O)[O-] ZINC000318548088 534811315 /nfs/dbraw/zinc/81/13/15/534811315.db2.gz MPJSUNDKGTUYMH-GXTWGEPZSA-N 1 2 305.334 1.657 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000823648620 599407112 /nfs/dbraw/zinc/40/71/12/599407112.db2.gz YYBFZXLOLOAZHG-UHFFFAOYSA-N 1 2 300.278 1.658 20 5 DDBDLO C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCSC1 ZINC000124980158 696747858 /nfs/dbraw/zinc/74/78/58/696747858.db2.gz UZHBLIQAVSVVBU-JTQLQIEISA-N 1 2 321.358 1.586 20 5 DDBDLO 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CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000805472534 701384011 /nfs/dbraw/zinc/38/40/11/701384011.db2.gz JTEZMGWEGOOMBC-RISCZKNCSA-N 1 2 308.334 1.920 20 5 DDBDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000805472534 701384012 /nfs/dbraw/zinc/38/40/12/701384012.db2.gz JTEZMGWEGOOMBC-RISCZKNCSA-N 1 2 308.334 1.920 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000805478622 701385145 /nfs/dbraw/zinc/38/51/45/701385145.db2.gz VFJAVYZLQVJDCP-CYBMUJFWSA-N 1 2 312.297 1.498 20 5 DDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000805478622 701385146 /nfs/dbraw/zinc/38/51/46/701385146.db2.gz VFJAVYZLQVJDCP-CYBMUJFWSA-N 1 2 312.297 1.498 20 5 DDBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839723607 701798401 /nfs/dbraw/zinc/79/84/01/701798401.db2.gz CUTLDFPVBPHXHN-CYZMBNFOSA-N 1 2 309.391 1.619 20 5 DDBDLO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc21 ZINC000839748201 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1.381 20 5 DDBDLO Cn1cc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CC[NH2+]2)cn1 ZINC000913476201 713232467 /nfs/dbraw/zinc/23/24/67/713232467.db2.gz SQPTUBYCPNINSZ-SNVBAGLBSA-N 1 2 321.362 1.177 20 5 DDBDLO C[C@H]1COC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000928920654 713512623 /nfs/dbraw/zinc/51/26/23/713512623.db2.gz SIKKGQIVVDPSIE-JQWIXIFHSA-N 1 2 316.317 1.545 20 5 DDBDLO COC(=O)c1cc(C)nc(NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC001168315198 742182248 /nfs/dbraw/zinc/18/22/48/742182248.db2.gz KLORZQTXAIHUET-UHFFFAOYSA-N 1 2 308.338 1.589 20 5 DDBDLO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)Cn1cc[nH+]c1 ZINC001106790149 746082599 /nfs/dbraw/zinc/08/25/99/746082599.db2.gz SSTZLAGBIODKLO-UHFFFAOYSA-N 1 2 318.337 1.147 20 5 DDBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506318 763761833 /nfs/dbraw/zinc/76/18/33/763761833.db2.gz DQPJKTZEUSKIHE-UHFFFAOYSA-N 1 2 317.349 1.821 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001112835634 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5 DDBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000339077776 250283703 /nfs/dbraw/zinc/28/37/03/250283703.db2.gz XJLDPKNFBZKFGP-UHFFFAOYSA-N 1 2 310.350 1.664 20 5 DDBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000339077776 250283706 /nfs/dbraw/zinc/28/37/06/250283706.db2.gz XJLDPKNFBZKFGP-UHFFFAOYSA-N 1 2 310.350 1.664 20 5 DDBDLO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+](C3CC3)CCO2)nc2sccn21 ZINC000106369548 194202955 /nfs/dbraw/zinc/20/29/55/194202955.db2.gz UBOCBKFSUDZDKY-JTQLQIEISA-N 1 2 323.378 1.579 20 5 DDBDLO O=[N+]([O-])c1c(NC[C@H]2C[N@H+](C3CC3)CCO2)nc2sccn21 ZINC000106369548 194202957 /nfs/dbraw/zinc/20/29/57/194202957.db2.gz UBOCBKFSUDZDKY-JTQLQIEISA-N 1 2 323.378 1.579 20 5 DDBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000341018490 251339990 /nfs/dbraw/zinc/33/99/90/251339990.db2.gz ULSHTGUXGUMMKY-IINYFYTJSA-N 1 2 323.349 1.245 20 5 DDBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000341018490 251339993 /nfs/dbraw/zinc/33/99/93/251339993.db2.gz ULSHTGUXGUMMKY-IINYFYTJSA-N 1 2 323.349 1.245 20 5 DDBDLO O=C1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000270004648 208058258 /nfs/dbraw/zinc/05/82/58/208058258.db2.gz ZJYGWRRPFFMNLN-UHFFFAOYSA-N 1 2 312.757 1.482 20 5 DDBDLO O=C1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000270004648 208058263 /nfs/dbraw/zinc/05/82/63/208058263.db2.gz ZJYGWRRPFFMNLN-UHFFFAOYSA-N 1 2 312.757 1.482 20 5 DDBDLO Cc1nc(NCCn2cc([N+](=O)[O-])cn2)c2c([nH+]1)CCCC2 ZINC000272927893 210314728 /nfs/dbraw/zinc/31/47/28/210314728.db2.gz UXKPSPIFERXEKC-UHFFFAOYSA-N 1 2 302.338 1.881 20 5 DDBDLO CCCCOC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352622220 285180117 /nfs/dbraw/zinc/18/01/17/285180117.db2.gz YUUDWVXGFOKVBS-HNNXBMFYSA-N 1 2 324.377 1.967 20 5 DDBDLO CCCCOC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352622220 285180119 /nfs/dbraw/zinc/18/01/19/285180119.db2.gz YUUDWVXGFOKVBS-HNNXBMFYSA-N 1 2 324.377 1.967 20 5 DDBDLO COc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000352767206 285286834 /nfs/dbraw/zinc/28/68/34/285286834.db2.gz FATPOTWBRAOALJ-LBPRGKRZSA-N 1 2 305.334 1.410 20 5 DDBDLO COc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000352767206 285286838 /nfs/dbraw/zinc/28/68/38/285286838.db2.gz FATPOTWBRAOALJ-LBPRGKRZSA-N 1 2 305.334 1.410 20 5 DDBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1COC[C@H]1O ZINC000352801189 285310968 /nfs/dbraw/zinc/31/09/68/285310968.db2.gz JILHQIWMYRRXOY-UONOGXRCSA-N 1 2 319.317 1.441 20 5 DDBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1COC[C@H]1O ZINC000352801189 285310970 /nfs/dbraw/zinc/31/09/70/285310970.db2.gz JILHQIWMYRRXOY-UONOGXRCSA-N 1 2 319.317 1.441 20 5 DDBDLO Cc1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000068920671 406672443 /nfs/dbraw/zinc/67/24/43/406672443.db2.gz VRSKVYALZKVHCY-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1c(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000069863477 406781755 /nfs/dbraw/zinc/78/17/55/406781755.db2.gz YMYSFSVXJKIIEZ-JTQLQIEISA-N 1 2 300.380 1.768 20 5 DDBDLO Cc1c(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000069863477 406781761 /nfs/dbraw/zinc/78/17/61/406781761.db2.gz YMYSFSVXJKIIEZ-JTQLQIEISA-N 1 2 300.380 1.768 20 5 DDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccon3)CC2)c1 ZINC000077272189 406983505 /nfs/dbraw/zinc/98/35/05/406983505.db2.gz GPWIRJNEUYRHKV-UHFFFAOYSA-N 1 2 302.334 1.901 20 5 DDBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOC1 ZINC000106884387 407364801 /nfs/dbraw/zinc/36/48/01/407364801.db2.gz REPNAHPUHKSUBA-GFCCVEGCSA-N 1 2 304.306 1.866 20 5 DDBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOC1 ZINC000106884387 407364803 /nfs/dbraw/zinc/36/48/03/407364803.db2.gz REPNAHPUHKSUBA-GFCCVEGCSA-N 1 2 304.306 1.866 20 5 DDBDLO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000111635719 407412590 /nfs/dbraw/zinc/41/25/90/407412590.db2.gz WBHHRFLWSNWZMM-LBPRGKRZSA-N 1 2 307.350 1.905 20 5 DDBDLO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000111635719 407412592 /nfs/dbraw/zinc/41/25/92/407412592.db2.gz WBHHRFLWSNWZMM-LBPRGKRZSA-N 1 2 307.350 1.905 20 5 DDBDLO O=C1CCc2cc([N+](=O)[O-])c(NCCn3cc[nH+]c3)cc2N1 ZINC000170639270 407460757 /nfs/dbraw/zinc/46/07/57/407460757.db2.gz PCNCZOMCGYUGSN-UHFFFAOYSA-N 1 2 301.306 1.788 20 5 DDBDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000170629438 407461288 /nfs/dbraw/zinc/46/12/88/407461288.db2.gz KILQVFPBGDSCLB-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000170629438 407461295 /nfs/dbraw/zinc/46/12/95/407461295.db2.gz KILQVFPBGDSCLB-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO O=C(NCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000114123831 407541581 /nfs/dbraw/zinc/54/15/81/407541581.db2.gz BKPYUOOCZLMKDM-UHFFFAOYSA-N 1 2 315.333 1.848 20 5 DDBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1CCOCC1 ZINC000153335102 407804172 /nfs/dbraw/zinc/80/41/72/407804172.db2.gz HECSCOXEOIXXNT-UHFFFAOYSA-N 1 2 319.361 1.248 20 5 DDBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1CCOCC1 ZINC000153335102 407804180 /nfs/dbraw/zinc/80/41/80/407804180.db2.gz HECSCOXEOIXXNT-UHFFFAOYSA-N 1 2 319.361 1.248 20 5 DDBDLO O=C1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000133463333 407847669 /nfs/dbraw/zinc/84/76/69/407847669.db2.gz AUVNIYIDNHTWEE-GJZGRUSLSA-N 1 2 319.361 1.717 20 5 DDBDLO O=C1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000133463333 407847673 /nfs/dbraw/zinc/84/76/73/407847673.db2.gz AUVNIYIDNHTWEE-GJZGRUSLSA-N 1 2 319.361 1.717 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1[nH+]ccn1C ZINC000272604613 408004401 /nfs/dbraw/zinc/00/44/01/408004401.db2.gz RIWRVEHVGORJSD-UHFFFAOYSA-N 1 2 317.349 1.707 20 5 DDBDLO C[C@@H](O)CC[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182249010 408107212 /nfs/dbraw/zinc/10/72/12/408107212.db2.gz LWOSZWDCDJLVKR-LLVKDONJSA-N 1 2 316.379 1.071 20 5 DDBDLO C[C@@H](O)CC[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182249010 408107218 /nfs/dbraw/zinc/10/72/18/408107218.db2.gz LWOSZWDCDJLVKR-LLVKDONJSA-N 1 2 316.379 1.071 20 5 DDBDLO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@@H]21 ZINC000159453345 408407150 /nfs/dbraw/zinc/40/71/50/408407150.db2.gz AXOJTJPOLIISLM-FZMZJTMJSA-N 1 2 319.361 1.857 20 5 DDBDLO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@@H]21 ZINC000159453345 408407157 /nfs/dbraw/zinc/40/71/57/408407157.db2.gz AXOJTJPOLIISLM-FZMZJTMJSA-N 1 2 319.361 1.857 20 5 DDBDLO COCC1(O)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270376319 408510974 /nfs/dbraw/zinc/51/09/74/408510974.db2.gz OHCBTPLFEFBCAI-UHFFFAOYSA-N 1 2 323.349 1.007 20 5 DDBDLO Cc1nc(N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000275760997 408669711 /nfs/dbraw/zinc/66/97/11/408669711.db2.gz QTFLLLKNGNDEJJ-CQSZACIVSA-N 1 2 320.393 1.845 20 5 DDBDLO Cc1nc(N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000275760997 408669718 /nfs/dbraw/zinc/66/97/18/408669718.db2.gz QTFLLLKNGNDEJJ-CQSZACIVSA-N 1 2 320.393 1.845 20 5 DDBDLO Cc1cccc(C(=O)NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000277837032 409021034 /nfs/dbraw/zinc/02/10/34/409021034.db2.gz IONZGZPDABGWET-UHFFFAOYSA-N 1 2 319.361 1.498 20 5 DDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCc1c[nH+]cn1C ZINC000282402378 409048553 /nfs/dbraw/zinc/04/85/53/409048553.db2.gz FKMMDRXMDODQED-UHFFFAOYSA-N 1 2 316.361 1.962 20 5 DDBDLO CC[C@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293896307 409203012 /nfs/dbraw/zinc/20/30/12/409203012.db2.gz ZJEZSYAGZJVFFM-UONOGXRCSA-N 1 2 304.350 1.778 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279394269 409206060 /nfs/dbraw/zinc/20/60/60/409206060.db2.gz VMNZVAMZJMIXSN-ZDUSSCGKSA-N 1 2 321.377 1.696 20 5 DDBDLO Cc1c[nH]nc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290470744 409413319 /nfs/dbraw/zinc/41/33/19/409413319.db2.gz QDWZHVRUXBOEHZ-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000296301157 409498339 /nfs/dbraw/zinc/49/83/39/409498339.db2.gz FTLXOYDYFKUIOK-JTQLQIEISA-N 1 2 303.322 1.889 20 5 DDBDLO Cn1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000337979733 409625500 /nfs/dbraw/zinc/62/55/00/409625500.db2.gz WJYUWPGTIFMGRY-NSHDSACASA-N 1 2 315.333 1.337 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2cc[nH+]c2-c2ccccc2)c1 ZINC000304292033 409597625 /nfs/dbraw/zinc/59/76/25/409597625.db2.gz GRUDNGWGMLKQFX-AWEZNQCLSA-N 1 2 313.317 1.716 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000347224171 410398285 /nfs/dbraw/zinc/39/82/85/410398285.db2.gz FRRWOZMCTVLMDI-STQMWFEESA-N 1 2 324.312 1.281 20 5 DDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000347224171 410398292 /nfs/dbraw/zinc/39/82/92/410398292.db2.gz FRRWOZMCTVLMDI-STQMWFEESA-N 1 2 324.312 1.281 20 5 DDBDLO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000343566655 410539245 /nfs/dbraw/zinc/53/92/45/410539245.db2.gz ISZTXDFFMSRMJJ-GFCCVEGCSA-N 1 2 307.350 1.905 20 5 DDBDLO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000343566655 410539248 /nfs/dbraw/zinc/53/92/48/410539248.db2.gz ISZTXDFFMSRMJJ-GFCCVEGCSA-N 1 2 307.350 1.905 20 5 DDBDLO Nc1nc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ncc1[N+](=O)[O-] ZINC000301525632 410739476 /nfs/dbraw/zinc/73/94/76/410739476.db2.gz IVXAXZXEPNUMAX-UHFFFAOYSA-N 1 2 317.284 1.637 20 5 DDBDLO CS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000337440408 410788349 /nfs/dbraw/zinc/78/83/49/410788349.db2.gz FPKMXIUNQPLMKI-LLVKDONJSA-N 1 2 314.363 1.093 20 5 DDBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000337440408 410788357 /nfs/dbraw/zinc/78/83/57/410788357.db2.gz FPKMXIUNQPLMKI-LLVKDONJSA-N 1 2 314.363 1.093 20 5 DDBDLO COc1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000337475719 410814484 /nfs/dbraw/zinc/81/44/84/410814484.db2.gz YJMGLMZJQBUCCF-NSHDSACASA-N 1 2 314.363 1.222 20 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Cc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc([N+](=O)[O-])c1 ZINC000456216165 421125368 /nfs/dbraw/zinc/12/53/68/421125368.db2.gz NIMTYQZWEBEAOJ-GASCZTMLSA-N 1 2 319.361 1.496 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000488032077 421065409 /nfs/dbraw/zinc/06/54/09/421065409.db2.gz GBDIVPJAXHMMRA-GJZGRUSLSA-N 1 2 310.350 1.839 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456388401 421157925 /nfs/dbraw/zinc/15/79/25/421157925.db2.gz PNFGJHNOUTUPJN-GWCFXTLKSA-N 1 2 316.317 1.992 20 5 DDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000450348759 421186624 /nfs/dbraw/zinc/18/66/24/421186624.db2.gz MVFCIUINQPXPFI-YGRLFVJLSA-N 1 2 316.317 1.233 20 5 DDBDLO CNc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000532626187 421661468 /nfs/dbraw/zinc/66/14/68/421661468.db2.gz CDMUEZISQPCHFU-UHFFFAOYSA-N 1 2 317.349 1.995 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000584004629 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DDBDLO O=[N+]([O-])c1c(N2CCN(c3cccc[nH+]3)CC2)nc2ccccn21 ZINC000137633694 696858977 /nfs/dbraw/zinc/85/89/77/696858977.db2.gz IBZDDDHUDUQIRM-UHFFFAOYSA-N 1 2 324.344 1.964 20 5 DDBDLO C[N@H+](C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172908907 697372529 /nfs/dbraw/zinc/37/25/29/697372529.db2.gz KYJJFIRBHBECRQ-ZDUSSCGKSA-N 1 2 317.349 1.922 20 5 DDBDLO C[N@@H+](C[C@@H]1CCCO1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172908907 697372530 /nfs/dbraw/zinc/37/25/30/697372530.db2.gz KYJJFIRBHBECRQ-ZDUSSCGKSA-N 1 2 317.349 1.922 20 5 DDBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000773993260 697831465 /nfs/dbraw/zinc/83/14/65/697831465.db2.gz OTDQFPQTHRNNAZ-CQSZACIVSA-N 1 2 305.334 1.123 20 5 DDBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000773993260 697831469 /nfs/dbraw/zinc/83/14/69/697831469.db2.gz OTDQFPQTHRNNAZ-CQSZACIVSA-N 1 2 305.334 1.123 20 5 DDBDLO Cc1c(CC(=O)OCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000800187659 700199714 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CCCCC[N@H+](CC(N)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183042306 408312167 /nfs/dbraw/zinc/31/21/67/408312167.db2.gz UCWVFWSHLCYISS-UHFFFAOYSA-N 1 2 322.365 1.171 20 5 DDBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183042306 408312172 /nfs/dbraw/zinc/31/21/72/408312172.db2.gz UCWVFWSHLCYISS-UHFFFAOYSA-N 1 2 322.365 1.171 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000275543580 408596523 /nfs/dbraw/zinc/59/65/23/408596523.db2.gz QSMHCDNDPOAZEW-CYBMUJFWSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000275543580 408596528 /nfs/dbraw/zinc/59/65/28/408596528.db2.gz QSMHCDNDPOAZEW-CYBMUJFWSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249564549 408743621 /nfs/dbraw/zinc/74/36/21/408743621.db2.gz MSDRBGCKADGZBC-SMDDNHRTSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249564549 408743625 /nfs/dbraw/zinc/74/36/25/408743625.db2.gz MSDRBGCKADGZBC-SMDDNHRTSA-N 1 2 307.350 1.544 20 5 DDBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276258196 408827801 /nfs/dbraw/zinc/82/78/01/408827801.db2.gz APANSLTWIDYATL-ZJUUUORDSA-N 1 2 318.370 1.987 20 5 DDBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276258196 408827802 /nfs/dbraw/zinc/82/78/02/408827802.db2.gz APANSLTWIDYATL-ZJUUUORDSA-N 1 2 318.370 1.987 20 5 DDBDLO C[N@H+](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCC1 ZINC000280933922 408861057 /nfs/dbraw/zinc/86/10/57/408861057.db2.gz KRXULHQWRKIOJT-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO C[N@@H+](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCC1 ZINC000280933922 408861058 /nfs/dbraw/zinc/86/10/58/408861058.db2.gz KRXULHQWRKIOJT-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO CC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000281519074 408888724 /nfs/dbraw/zinc/88/87/24/408888724.db2.gz ZGKLSJJNPYPVPE-NSHDSACASA-N 1 2 311.338 1.030 20 5 DDBDLO CC[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000281519074 408888726 /nfs/dbraw/zinc/88/87/26/408888726.db2.gz ZGKLSJJNPYPVPE-NSHDSACASA-N 1 2 311.338 1.030 20 5 DDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894136 409235493 /nfs/dbraw/zinc/23/54/93/409235493.db2.gz BDITUQQQHSPSAL-FPVGNUTFSA-N 1 2 315.351 1.702 20 5 DDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894136 409235496 /nfs/dbraw/zinc/23/54/96/409235496.db2.gz BDITUQQQHSPSAL-FPVGNUTFSA-N 1 2 315.351 1.702 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nccc(C)c2[N+](=O)[O-])C1 ZINC000353871686 409525203 /nfs/dbraw/zinc/52/52/03/409525203.db2.gz BNXSEMIDEJEZJV-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nccc(C)c2[N+](=O)[O-])C1 ZINC000353871686 409525213 /nfs/dbraw/zinc/52/52/13/409525213.db2.gz BNXSEMIDEJEZJV-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000344855988 409532394 /nfs/dbraw/zinc/53/23/94/409532394.db2.gz ORTVFFAFEJIDSD-UHFFFAOYSA-N 1 2 304.306 1.712 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000344855988 409532400 /nfs/dbraw/zinc/53/24/00/409532400.db2.gz ORTVFFAFEJIDSD-UHFFFAOYSA-N 1 2 304.306 1.712 20 5 DDBDLO CCc1[nH+]c2ccccc2n1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304364051 409614424 /nfs/dbraw/zinc/61/44/24/409614424.db2.gz USRVXXRAENTSBR-LBPRGKRZSA-N 1 2 315.333 1.765 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188519696 306720929 /nfs/dbraw/zinc/72/09/29/306720929.db2.gz DWNCEEVSVKEXFR-UHFFFAOYSA-N 1 2 316.317 1.161 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267081 410025887 /nfs/dbraw/zinc/02/58/87/410025887.db2.gz UOEICVOBXVCYIM-UONOGXRCSA-N 1 2 311.769 1.763 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267081 410025890 /nfs/dbraw/zinc/02/58/90/410025890.db2.gz UOEICVOBXVCYIM-UONOGXRCSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267081 410025898 /nfs/dbraw/zinc/02/58/98/410025898.db2.gz UOEICVOBXVCYIM-UONOGXRCSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267081 410025903 /nfs/dbraw/zinc/02/59/03/410025903.db2.gz UOEICVOBXVCYIM-UONOGXRCSA-N 1 2 311.769 1.763 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCSC[C@H]3CO)nc2c1 ZINC000332226747 409996491 /nfs/dbraw/zinc/99/64/91/409996491.db2.gz KTZBYJNWRMIQAK-SNVBAGLBSA-N 1 2 308.363 1.381 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCSC[C@H]3CO)nc2c1 ZINC000332226747 409996500 /nfs/dbraw/zinc/99/65/00/409996500.db2.gz KTZBYJNWRMIQAK-SNVBAGLBSA-N 1 2 308.363 1.381 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000332349447 410085411 /nfs/dbraw/zinc/08/54/11/410085411.db2.gz OYAXCISVTZQXQO-LLVKDONJSA-N 1 2 307.350 1.810 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000332349447 410085420 /nfs/dbraw/zinc/08/54/20/410085420.db2.gz OYAXCISVTZQXQO-LLVKDONJSA-N 1 2 307.350 1.810 20 5 DDBDLO CO[C@H](C)c1noc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000357678092 410181780 /nfs/dbraw/zinc/18/17/80/410181780.db2.gz YWVOBFVHGXKVOQ-SECBINFHSA-N 1 2 310.314 1.014 20 5 DDBDLO CO[C@H](C)c1noc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000357678092 410181786 /nfs/dbraw/zinc/18/17/86/410181786.db2.gz YWVOBFVHGXKVOQ-SECBINFHSA-N 1 2 310.314 1.014 20 5 DDBDLO Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000298517464 410268272 /nfs/dbraw/zinc/26/82/72/410268272.db2.gz SYBRXOIVUDDHND-NSHDSACASA-N 1 2 324.362 1.467 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000357909394 410322407 /nfs/dbraw/zinc/32/24/07/410322407.db2.gz TYPRDGOQVNCSHR-UHFFFAOYSA-N 1 2 323.740 1.981 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000351883819 410318945 /nfs/dbraw/zinc/31/89/45/410318945.db2.gz OAQFCKDWXZIUEQ-UHFFFAOYSA-N 1 2 313.379 1.196 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339774777 410451147 /nfs/dbraw/zinc/45/11/47/410451147.db2.gz YPCPTKYYUHMCFX-HOTGVXAUSA-N 1 2 322.361 1.710 20 5 DDBDLO O=[N+]([O-])c1ccccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000343578235 410544413 /nfs/dbraw/zinc/54/44/13/410544413.db2.gz DTKALLVMLLFHOQ-UHFFFAOYSA-N 1 2 317.349 1.867 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](CC)CN1C(C)=O ZINC000355732353 410665435 /nfs/dbraw/zinc/66/54/35/410665435.db2.gz JUADGAGGPAXFQZ-QWHCGFSZSA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](CC)CN1C(C)=O ZINC000355732353 410665439 /nfs/dbraw/zinc/66/54/39/410665439.db2.gz JUADGAGGPAXFQZ-QWHCGFSZSA-N 1 2 323.397 1.550 20 5 DDBDLO CN(C)C(=O)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330460702 410710094 /nfs/dbraw/zinc/71/00/94/410710094.db2.gz VVRMGJCEFPHHDE-UHFFFAOYSA-N 1 2 321.377 1.991 20 5 DDBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)ccc2[nH+]1 ZINC000343819363 410725818 /nfs/dbraw/zinc/72/58/18/410725818.db2.gz GNGXHQADPSGZSH-UHFFFAOYSA-N 1 2 313.273 1.904 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000337423275 410772442 /nfs/dbraw/zinc/77/24/42/410772442.db2.gz VMUIHSCBZNHRIC-GHMZBOCLSA-N 1 2 304.297 1.272 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000337423275 410772449 /nfs/dbraw/zinc/77/24/49/410772449.db2.gz VMUIHSCBZNHRIC-GHMZBOCLSA-N 1 2 304.297 1.272 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344166534 411001340 /nfs/dbraw/zinc/00/13/40/411001340.db2.gz NPLCPTWKEYQXQV-STQMWFEESA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344166534 411001344 /nfs/dbraw/zinc/00/13/44/411001344.db2.gz NPLCPTWKEYQXQV-STQMWFEESA-N 1 2 321.377 1.935 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000580689045 422947741 /nfs/dbraw/zinc/94/77/41/422947741.db2.gz IZGBJPXPXKGSGJ-LBPRGKRZSA-N 1 2 324.402 1.994 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000580689045 422947743 /nfs/dbraw/zinc/94/77/43/422947743.db2.gz IZGBJPXPXKGSGJ-LBPRGKRZSA-N 1 2 324.402 1.994 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCOCC1(C)C ZINC000192563258 418523762 /nfs/dbraw/zinc/52/37/62/418523762.db2.gz DACABZYBDSAIQT-UHFFFAOYSA-N 1 2 311.386 1.642 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CCOCC1(C)C ZINC000192563258 418523764 /nfs/dbraw/zinc/52/37/64/418523764.db2.gz DACABZYBDSAIQT-UHFFFAOYSA-N 1 2 311.386 1.642 20 5 DDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCn1cc[nH+]c1 ZINC000361012595 418565701 /nfs/dbraw/zinc/56/57/01/418565701.db2.gz GSMGOGQVORPGMA-UHFFFAOYSA-N 1 2 310.260 1.428 20 5 DDBDLO COc1cc(CCNc2cc[nH+]c(C)n2)c([N+](=O)[O-])cc1OC ZINC000361149029 418593604 /nfs/dbraw/zinc/59/36/04/418593604.db2.gz IMBDQXHZJFZVFO-UHFFFAOYSA-N 1 2 318.333 2.365 20 5 DDBDLO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371030747 418756513 /nfs/dbraw/zinc/75/65/13/418756513.db2.gz JJHHUBZIYDYWJF-XQQFMLRXSA-N 1 2 306.366 1.663 20 5 DDBDLO Cn1cccc1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365875815 418919210 /nfs/dbraw/zinc/91/92/10/418919210.db2.gz NWIHHRUEPOQAIN-UHFFFAOYSA-N 1 2 317.349 1.650 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000411912696 419478741 /nfs/dbraw/zinc/47/87/41/419478741.db2.gz QAXFBKLJUWMPMN-UWVGGRQHSA-N 1 2 302.277 1.455 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000411912696 419478746 /nfs/dbraw/zinc/47/87/46/419478746.db2.gz QAXFBKLJUWMPMN-UWVGGRQHSA-N 1 2 302.277 1.455 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428073920 419804646 /nfs/dbraw/zinc/80/46/46/419804646.db2.gz GGGKHFWJGPYMKZ-CQSZACIVSA-N 1 2 307.350 1.435 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428073920 419804656 /nfs/dbraw/zinc/80/46/56/419804656.db2.gz GGGKHFWJGPYMKZ-CQSZACIVSA-N 1 2 307.350 1.435 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000430215545 420091619 /nfs/dbraw/zinc/09/16/19/420091619.db2.gz FDCUCDNPUFVIKC-GXFFZTMASA-N 1 2 307.350 1.689 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000430215545 420091624 /nfs/dbraw/zinc/09/16/24/420091624.db2.gz FDCUCDNPUFVIKC-GXFFZTMASA-N 1 2 307.350 1.689 20 5 DDBDLO COc1cccc(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000435643770 420271608 /nfs/dbraw/zinc/27/16/08/420271608.db2.gz GDTVUCZQSRRUIE-UHFFFAOYSA-N 1 2 304.306 1.609 20 5 DDBDLO Cc1cc(OCC(=O)Nc2cc[nH+]cc2O)ccc1[N+](=O)[O-] ZINC000435802166 420284669 /nfs/dbraw/zinc/28/46/69/420284669.db2.gz XLMSDWWIPBFUQJ-UHFFFAOYSA-N 1 2 303.274 1.443 20 5 DDBDLO C[C@H]([C@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000420584915 420322733 /nfs/dbraw/zinc/32/27/33/420322733.db2.gz NDZKEBCIMVEVGY-WDEREUQCSA-N 1 2 322.365 1.215 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000447051903 420766801 /nfs/dbraw/zinc/76/68/01/420766801.db2.gz YVQFNDCRSZDMLE-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO CNc1nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000454775995 420922092 /nfs/dbraw/zinc/92/20/92/420922092.db2.gz ZXBIJIWFAKAXOO-SECBINFHSA-N 1 2 304.310 1.047 20 5 DDBDLO CN1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)OC1=O ZINC000495656967 421042204 /nfs/dbraw/zinc/04/22/04/421042204.db2.gz ZPIKXYLIRWYOOF-CQSZACIVSA-N 1 2 320.349 1.167 20 5 DDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000456201086 421118397 /nfs/dbraw/zinc/11/83/97/421118397.db2.gz BGPPJPVEOFHRFM-TXEJJXNPSA-N 1 2 305.334 1.188 20 5 DDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000456201086 421118400 /nfs/dbraw/zinc/11/84/00/421118400.db2.gz BGPPJPVEOFHRFM-TXEJJXNPSA-N 1 2 305.334 1.188 20 5 DDBDLO Cc1nn(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000496195092 421147936 /nfs/dbraw/zinc/14/79/36/421147936.db2.gz JXTFNOADTGCJNB-NSHDSACASA-N 1 2 311.342 1.138 20 5 DDBDLO Cc1nn(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000496195092 421147941 /nfs/dbraw/zinc/14/79/41/421147941.db2.gz JXTFNOADTGCJNB-NSHDSACASA-N 1 2 311.342 1.138 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000456357813 421149430 /nfs/dbraw/zinc/14/94/30/421149430.db2.gz PYYJRNNJANYHCX-QMMMGPOBSA-N 1 2 304.310 1.279 20 5 DDBDLO CNc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000516943871 421582393 /nfs/dbraw/zinc/58/23/93/421582393.db2.gz ZSIFKXDDCPHSCQ-UHFFFAOYSA-N 1 2 301.306 1.489 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000570785329 421669232 /nfs/dbraw/zinc/66/92/32/421669232.db2.gz SCOCNKZURYCJDN-UHFFFAOYSA-N 1 2 322.365 1.173 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000570785329 421669236 /nfs/dbraw/zinc/66/92/36/421669236.db2.gz SCOCNKZURYCJDN-UHFFFAOYSA-N 1 2 322.365 1.173 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000533492292 421675151 /nfs/dbraw/zinc/67/51/51/421675151.db2.gz ISBUNMAEYQHBCW-NSHDSACASA-N 1 2 310.379 1.646 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000533492292 421675154 /nfs/dbraw/zinc/67/51/54/421675154.db2.gz ISBUNMAEYQHBCW-NSHDSACASA-N 1 2 310.379 1.646 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000584004627 422240181 /nfs/dbraw/zinc/24/01/81/422240181.db2.gz QJNZXVYNPUKFCJ-CBAPKCEASA-N 1 2 302.294 1.204 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000269320567 276040893 /nfs/dbraw/zinc/04/08/93/276040893.db2.gz BDOKXMDBILSKHU-UHFFFAOYSA-N 1 2 307.354 1.362 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000269320567 276040895 /nfs/dbraw/zinc/04/08/95/276040895.db2.gz BDOKXMDBILSKHU-UHFFFAOYSA-N 1 2 307.354 1.362 20 5 DDBDLO Cc1cccc(N2CCN(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000302504901 278922644 /nfs/dbraw/zinc/92/26/44/278922644.db2.gz QEJXNBMHXMSIBM-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000478970876 279378503 /nfs/dbraw/zinc/37/85/03/279378503.db2.gz YRWQYJUJZHHQHV-GFCCVEGCSA-N 1 2 316.321 1.418 20 5 DDBDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126810696 281253215 /nfs/dbraw/zinc/25/32/15/281253215.db2.gz FNAGNHWQRVKFMN-LLVKDONJSA-N 1 2 322.365 1.380 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126810696 281253217 /nfs/dbraw/zinc/25/32/17/281253217.db2.gz FNAGNHWQRVKFMN-LLVKDONJSA-N 1 2 322.365 1.380 20 5 DDBDLO COc1cccc(NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000354244420 298380048 /nfs/dbraw/zinc/38/00/48/298380048.db2.gz PFIMVKDBXSAZLE-UHFFFAOYSA-N 1 2 322.365 1.179 20 5 DDBDLO NC(=O)C[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000362617631 300106725 /nfs/dbraw/zinc/10/67/25/300106725.db2.gz SCQHONKAYZSVEM-UHFFFAOYSA-N 1 2 312.757 1.246 20 5 DDBDLO NC(=O)C[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000362617631 300106726 /nfs/dbraw/zinc/10/67/26/300106726.db2.gz SCQHONKAYZSVEM-UHFFFAOYSA-N 1 2 312.757 1.246 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000363111426 300213346 /nfs/dbraw/zinc/21/33/46/300213346.db2.gz SYSWOXCUPBZECE-AWEZNQCLSA-N 1 2 319.361 1.708 20 5 DDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268157664 300233287 /nfs/dbraw/zinc/23/32/87/300233287.db2.gz HKCYPDYMQWWXHZ-CABZTGNLSA-N 1 2 305.334 1.513 20 5 DDBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268157664 300233290 /nfs/dbraw/zinc/23/32/90/300233290.db2.gz HKCYPDYMQWWXHZ-CABZTGNLSA-N 1 2 305.334 1.513 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000369326964 301165042 /nfs/dbraw/zinc/16/50/42/301165042.db2.gz MWAVGBSZASRDSF-NSHDSACASA-N 1 2 317.305 1.873 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000370055755 301267771 /nfs/dbraw/zinc/26/77/71/301267771.db2.gz MVYRDLTUICSKQF-LBPRGKRZSA-N 1 2 321.381 1.305 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000370055755 301267773 /nfs/dbraw/zinc/26/77/73/301267773.db2.gz MVYRDLTUICSKQF-LBPRGKRZSA-N 1 2 321.381 1.305 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396834925 302349973 /nfs/dbraw/zinc/34/99/73/302349973.db2.gz WQXNPSYMBOFRBH-GXFFZTMASA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396834925 302349975 /nfs/dbraw/zinc/34/99/75/302349975.db2.gz WQXNPSYMBOFRBH-GXFFZTMASA-N 1 2 300.742 1.423 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000270773904 302943116 /nfs/dbraw/zinc/94/31/16/302943116.db2.gz IMHUNJGCASVXMH-VIFPVBQESA-N 1 2 304.310 1.419 20 5 DDBDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533433766 303318387 /nfs/dbraw/zinc/31/83/87/303318387.db2.gz ZWFPYKOSIWNOEX-UHFFFAOYSA-N 1 2 320.349 1.088 20 5 DDBDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533433766 303318388 /nfs/dbraw/zinc/31/83/88/303318388.db2.gz ZWFPYKOSIWNOEX-UHFFFAOYSA-N 1 2 320.349 1.088 20 5 DDBDLO COC(=O)[C@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000535763696 303351295 /nfs/dbraw/zinc/35/12/95/303351295.db2.gz KTGDGNRAVUYUTH-OAHLLOKOSA-N 1 2 308.334 1.905 20 5 DDBDLO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363448654 307028112 /nfs/dbraw/zinc/02/81/12/307028112.db2.gz GBONSHYGYUWEOC-LBPRGKRZSA-N 1 2 319.369 1.374 20 5 DDBDLO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363448654 307028113 /nfs/dbraw/zinc/02/81/13/307028113.db2.gz GBONSHYGYUWEOC-LBPRGKRZSA-N 1 2 319.369 1.374 20 5 DDBDLO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2O1 ZINC000363880738 307037215 /nfs/dbraw/zinc/03/72/15/307037215.db2.gz XXUYILCFNCAXFZ-NQBHXWOUSA-N 1 2 305.334 1.007 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000365082741 307058222 /nfs/dbraw/zinc/05/82/22/307058222.db2.gz OSBNCFHQHBSFNT-VIFPVBQESA-N 1 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483941129 /nfs/dbraw/zinc/94/11/29/483941129.db2.gz IEDRGGFFDLALEG-LLVKDONJSA-N 1 2 321.341 1.077 20 5 DDBDLO CN(C)c1noc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000374529286 483941134 /nfs/dbraw/zinc/94/11/34/483941134.db2.gz IEDRGGFFDLALEG-LLVKDONJSA-N 1 2 321.341 1.077 20 5 DDBDLO COc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000305791910 533789460 /nfs/dbraw/zinc/78/94/60/533789460.db2.gz BGAROCHWRQQTLG-NSHDSACASA-N 1 2 308.256 1.958 20 5 DDBDLO COc1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000305791910 533789469 /nfs/dbraw/zinc/78/94/69/533789469.db2.gz BGAROCHWRQQTLG-NSHDSACASA-N 1 2 308.256 1.958 20 5 DDBDLO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000446000856 533814236 /nfs/dbraw/zinc/81/42/36/533814236.db2.gz FNYRTBMXJBRTCD-CQSZACIVSA-N 1 2 321.377 1.950 20 5 DDBDLO COc1cc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000446000856 533814241 /nfs/dbraw/zinc/81/42/41/533814241.db2.gz FNYRTBMXJBRTCD-CQSZACIVSA-N 1 2 321.377 1.950 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424194840 534741514 /nfs/dbraw/zinc/74/15/14/534741514.db2.gz SIVGZJDXIIXSNU-QMMMGPOBSA-N 1 2 314.292 1.152 20 5 DDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC(n2cc[nH+]c2)C1 ZINC000823629693 607017625 /nfs/dbraw/zinc/01/76/25/607017625.db2.gz FDULRPKLHNRDBE-UHFFFAOYSA-N 1 2 312.293 1.033 20 5 DDBDLO Cc1nn(C[NH+]2CCC(C(=O)N(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000057536484 696297180 /nfs/dbraw/zinc/29/71/80/696297180.db2.gz MDCLFXQFIDJVQA-UHFFFAOYSA-N 1 2 309.370 1.166 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)C2)c1Br ZINC000236555439 697796056 /nfs/dbraw/zinc/79/60/56/697796056.db2.gz CJMONPYYAZPWGY-VIFPVBQESA-N 1 2 301.140 1.924 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](O)C2)c1Br ZINC000236555439 697796057 /nfs/dbraw/zinc/79/60/57/697796057.db2.gz CJMONPYYAZPWGY-VIFPVBQESA-N 1 2 301.140 1.924 20 5 DDBDLO C[N@@H+](CC(=O)N1CCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574922 698119691 /nfs/dbraw/zinc/11/96/91/698119691.db2.gz LVVMWVJHIHRVOK-CQSZACIVSA-N 1 2 307.350 1.182 20 5 DDBDLO C[N@H+](CC(=O)N1CCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574922 698119695 /nfs/dbraw/zinc/11/96/95/698119695.db2.gz LVVMWVJHIHRVOK-CQSZACIVSA-N 1 2 307.350 1.182 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(CO)C2)ccc1Cl ZINC000314487058 698689746 /nfs/dbraw/zinc/68/97/46/698689746.db2.gz WXPLWSDLSUZQCB-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)ccc1Cl ZINC000314487058 698689748 /nfs/dbraw/zinc/68/97/48/698689748.db2.gz WXPLWSDLSUZQCB-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727495902 699413897 /nfs/dbraw/zinc/41/38/97/699413897.db2.gz KADNCOCQECHCAO-CYBMUJFWSA-N 1 2 319.365 1.975 20 5 DDBDLO CO[C@H](C)C[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795753694 699889841 /nfs/dbraw/zinc/88/98/41/699889841.db2.gz XPONUGONCJTTSW-SSDOTTSWSA-N 1 2 307.148 1.478 20 5 DDBDLO CO[C@H](C)C[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795753694 699889844 /nfs/dbraw/zinc/88/98/44/699889844.db2.gz XPONUGONCJTTSW-SSDOTTSWSA-N 1 2 307.148 1.478 20 5 DDBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000802784753 700427479 /nfs/dbraw/zinc/42/74/79/700427479.db2.gz GFHVMJWCESGXKV-UHFFFAOYSA-N 1 2 304.306 1.700 20 5 DDBDLO COc1ccc(CC(=O)OCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000754684335 700519974 /nfs/dbraw/zinc/51/99/74/700519974.db2.gz WHPADNDWKNNGEZ-UHFFFAOYSA-N 1 2 305.290 1.623 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808751880 701535291 /nfs/dbraw/zinc/53/52/91/701535291.db2.gz NYQJPQKPCHLDSW-TVQRCGJNSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808751880 701535293 /nfs/dbraw/zinc/53/52/93/701535293.db2.gz NYQJPQKPCHLDSW-TVQRCGJNSA-N 1 2 300.742 1.423 20 5 DDBDLO C[N@H+](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@H]1CCSC1 ZINC000812813906 702246919 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/nfs/dbraw/zinc/26/20/02/162262002.db2.gz WRVISAXSGQVKBM-JSGCOSHPSA-N 1 2 321.377 1.710 20 5 DDBDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154427 162262003 /nfs/dbraw/zinc/26/20/03/162262003.db2.gz WRVISAXSGQVKBM-JSGCOSHPSA-N 1 2 321.377 1.710 20 5 DDBDLO CC1=CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000270384889 408512957 /nfs/dbraw/zinc/51/29/57/408512957.db2.gz WWLVBDUKRCZAGK-UHFFFAOYSA-N 1 2 319.317 1.914 20 5 DDBDLO CC1=CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000270384889 408512962 /nfs/dbraw/zinc/51/29/62/408512962.db2.gz WWLVBDUKRCZAGK-UHFFFAOYSA-N 1 2 319.317 1.914 20 5 DDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265645390 408730022 /nfs/dbraw/zinc/73/00/22/408730022.db2.gz LLJRDKFFJWIBLC-MFKMUULPSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265645390 408730024 /nfs/dbraw/zinc/73/00/24/408730024.db2.gz LLJRDKFFJWIBLC-MFKMUULPSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185122994 408762681 /nfs/dbraw/zinc/76/26/81/408762681.db2.gz UIWVPQBJDUSMNS-CHNSCGDPSA-N 1 2 313.379 1.232 20 5 DDBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185122994 408762685 /nfs/dbraw/zinc/76/26/85/408762685.db2.gz UIWVPQBJDUSMNS-CHNSCGDPSA-N 1 2 313.379 1.232 20 5 DDBDLO Cn1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cn1 ZINC000276321914 408835025 /nfs/dbraw/zinc/83/50/25/408835025.db2.gz OVHBKAUGIORLKP-UHFFFAOYSA-N 1 2 319.340 1.790 20 5 DDBDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276949707 408903097 /nfs/dbraw/zinc/90/30/97/408903097.db2.gz VUGAADFGOXGGCM-LEWSCRJBSA-N 1 2 323.349 1.267 20 5 DDBDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276949707 408903100 /nfs/dbraw/zinc/90/31/00/408903100.db2.gz VUGAADFGOXGGCM-LEWSCRJBSA-N 1 2 323.349 1.267 20 5 DDBDLO CC(=O)c1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000287520507 409049104 /nfs/dbraw/zinc/04/91/04/409049104.db2.gz VFWMDQAQLAUZGM-CYBMUJFWSA-N 1 2 306.366 1.455 20 5 DDBDLO CC(=O)c1cc(NC[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000287520507 409049106 /nfs/dbraw/zinc/04/91/06/409049106.db2.gz VFWMDQAQLAUZGM-CYBMUJFWSA-N 1 2 306.366 1.455 20 5 DDBDLO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000287820291 409098856 /nfs/dbraw/zinc/09/88/56/409098856.db2.gz KVSUMVAPWHLQJX-FZMZJTMJSA-N 1 2 309.341 1.891 20 5 DDBDLO Cc1cc(N[C@@H]2COC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000296123068 409437395 /nfs/dbraw/zinc/43/73/95/409437395.db2.gz WCASESNXOBLCAF-CHWSQXEVSA-N 1 2 316.317 1.532 20 5 DDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408075847 164219748 /nfs/dbraw/zinc/21/97/48/164219748.db2.gz ZYLWWTSLUVZGDQ-VHSXEESVSA-N 1 2 317.349 1.636 20 5 DDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408075847 164219751 /nfs/dbraw/zinc/21/97/51/164219751.db2.gz ZYLWWTSLUVZGDQ-VHSXEESVSA-N 1 2 317.349 1.636 20 5 DDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298520215 410269606 /nfs/dbraw/zinc/26/96/06/410269606.db2.gz UVYSCCVFIOAJOL-JTQLQIEISA-N 1 2 324.362 1.467 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000351859974 410296675 /nfs/dbraw/zinc/29/66/75/410296675.db2.gz LIWHFHRBOFSJBY-IINYFYTJSA-N 1 2 316.317 1.233 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000347224166 410397687 /nfs/dbraw/zinc/39/76/87/410397687.db2.gz FRRWOZMCTVLMDI-OLZOCXBDSA-N 1 2 324.312 1.281 20 5 DDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000347224166 410397695 /nfs/dbraw/zinc/39/76/95/410397695.db2.gz FRRWOZMCTVLMDI-OLZOCXBDSA-N 1 2 324.312 1.281 20 5 DDBDLO COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000359609656 410772140 /nfs/dbraw/zinc/77/21/40/410772140.db2.gz LANPNWRFYXMATN-OAHLLOKOSA-N 1 2 319.361 1.668 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000356186108 410884994 /nfs/dbraw/zinc/88/49/94/410884994.db2.gz GTQDLIFLZAQBNT-LBPRGKRZSA-N 1 2 322.365 1.115 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000356186108 410885000 /nfs/dbraw/zinc/88/50/00/410885000.db2.gz GTQDLIFLZAQBNT-LBPRGKRZSA-N 1 2 322.365 1.115 20 5 DDBDLO COc1cc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000348271583 410887245 /nfs/dbraw/zinc/88/72/45/410887245.db2.gz GRBSQWKQBHOYHT-BLLLJJGKSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1cc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000348271583 410887251 /nfs/dbraw/zinc/88/72/51/410887251.db2.gz GRBSQWKQBHOYHT-BLLLJJGKSA-N 1 2 322.361 1.983 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000331142902 410975514 /nfs/dbraw/zinc/97/55/14/410975514.db2.gz LBEVPRNXBDUQJV-AAEUAGOBSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000331142902 410975516 /nfs/dbraw/zinc/97/55/16/410975516.db2.gz LBEVPRNXBDUQJV-AAEUAGOBSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000132252044 196238970 /nfs/dbraw/zinc/23/89/70/196238970.db2.gz XEWCAGHVXXPHCF-JTQLQIEISA-N 1 2 318.333 1.871 20 5 DDBDLO O=[N+]([O-])[C@@H]1C[C@@H]1c1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000374844152 418567587 /nfs/dbraw/zinc/56/75/87/418567587.db2.gz KFJLIGQYSPCTOA-YNEHKIRRSA-N 1 2 322.365 1.908 20 5 DDBDLO O=[N+]([O-])[C@@H]1C[C@@H]1c1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000374844152 418567591 /nfs/dbraw/zinc/56/75/91/418567591.db2.gz KFJLIGQYSPCTOA-YNEHKIRRSA-N 1 2 322.365 1.908 20 5 DDBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC000364794639 418811374 /nfs/dbraw/zinc/81/13/74/418811374.db2.gz SRCBEOLBZCQKOE-AWEZNQCLSA-N 1 2 309.297 1.808 20 5 DDBDLO O=C1NC[C@]2(CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC000364794639 418811376 /nfs/dbraw/zinc/81/13/76/418811376.db2.gz SRCBEOLBZCQKOE-AWEZNQCLSA-N 1 2 309.297 1.808 20 5 DDBDLO Cc1cc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC000421574613 419642401 /nfs/dbraw/zinc/64/24/01/419642401.db2.gz HBRMLZMQEYUSAV-UHFFFAOYSA-N 1 2 317.349 1.855 20 5 DDBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430221948 420093008 /nfs/dbraw/zinc/09/30/08/420093008.db2.gz SNKMAMVUQCIOAA-UHFFFAOYSA-N 1 2 309.366 1.904 20 5 DDBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430221948 420093013 /nfs/dbraw/zinc/09/30/13/420093013.db2.gz SNKMAMVUQCIOAA-UHFFFAOYSA-N 1 2 309.366 1.904 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423971370 420287091 /nfs/dbraw/zinc/28/70/91/420287091.db2.gz KGKQZHUDPWPNKO-CHWSQXEVSA-N 1 2 319.361 1.905 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423971373 420287753 /nfs/dbraw/zinc/28/77/53/420287753.db2.gz KGKQZHUDPWPNKO-QWHCGFSZSA-N 1 2 319.361 1.905 20 5 DDBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000436972834 420388903 /nfs/dbraw/zinc/38/89/03/420388903.db2.gz QEBNOZNQYNYRSQ-LBPRGKRZSA-N 1 2 305.334 1.609 20 5 DDBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000436972834 420388909 /nfs/dbraw/zinc/38/89/09/420388909.db2.gz QEBNOZNQYNYRSQ-LBPRGKRZSA-N 1 2 305.334 1.609 20 5 DDBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000451948521 420616400 /nfs/dbraw/zinc/61/64/00/420616400.db2.gz UYQQEDIDRXUSPM-SKDRFNHKSA-N 1 2 322.346 1.776 20 5 DDBDLO Cc1c(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000449650346 421045501 /nfs/dbraw/zinc/04/55/01/421045501.db2.gz LAKADPRTIREPAZ-SNVBAGLBSA-N 1 2 313.304 1.878 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000449770833 421079344 /nfs/dbraw/zinc/07/93/44/421079344.db2.gz JDQPUOHDHWHIIC-WASHYIJTSA-N 1 2 319.361 1.574 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000449770833 421079345 /nfs/dbraw/zinc/07/93/45/421079345.db2.gz JDQPUOHDHWHIIC-WASHYIJTSA-N 1 2 319.361 1.574 20 5 DDBDLO C[C@@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450168246 421155991 /nfs/dbraw/zinc/15/59/91/421155991.db2.gz KERWODZFCDDUOK-NSHDSACASA-N 1 2 318.333 1.529 20 5 DDBDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000515571780 421508630 /nfs/dbraw/zinc/50/86/30/421508630.db2.gz HHCXGJOXZDGCJP-DTORHVGOSA-N 1 2 307.306 1.745 20 5 DDBDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000515571780 421508633 /nfs/dbraw/zinc/50/86/33/421508633.db2.gz HHCXGJOXZDGCJP-DTORHVGOSA-N 1 2 307.306 1.745 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531490603 421635242 /nfs/dbraw/zinc/63/52/42/421635242.db2.gz UEPUTPMWCSWMMG-UHFFFAOYSA-N 1 2 304.262 1.285 20 5 DDBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000543548976 421838598 /nfs/dbraw/zinc/83/85/98/421838598.db2.gz 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DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264194934 408397041 /nfs/dbraw/zinc/39/70/41/408397041.db2.gz CSKHCSCFKZCOMK-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000184637618 408660533 /nfs/dbraw/zinc/66/05/33/408660533.db2.gz CUIGMPFAYOONLP-UHFFFAOYSA-N 1 2 319.342 1.882 20 5 DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276351151 408841388 /nfs/dbraw/zinc/84/13/88/408841388.db2.gz WKHKNXVXGVCJMN-AWEZNQCLSA-N 1 2 307.325 1.977 20 5 DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276351151 408841389 /nfs/dbraw/zinc/84/13/89/408841389.db2.gz WKHKNXVXGVCJMN-AWEZNQCLSA-N 1 2 307.325 1.977 20 5 DDBDLO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280925367 408860011 /nfs/dbraw/zinc/86/00/11/408860011.db2.gz JXOROYGUVSMSIP-ZYHUDNBSSA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280925367 408860013 /nfs/dbraw/zinc/86/00/13/408860013.db2.gz JXOROYGUVSMSIP-ZYHUDNBSSA-N 1 2 307.350 1.713 20 5 DDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000281885471 408948003 /nfs/dbraw/zinc/94/80/03/408948003.db2.gz XRWOHNSLGOXPDU-NSHDSACASA-N 1 2 308.294 1.213 20 5 DDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000281885471 408948004 /nfs/dbraw/zinc/94/80/04/408948004.db2.gz XRWOHNSLGOXPDU-NSHDSACASA-N 1 2 308.294 1.213 20 5 DDBDLO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286905169 409000902 /nfs/dbraw/zinc/00/09/02/409000902.db2.gz COQKFBNTQHFMGI-YPMHNXCESA-N 1 2 319.361 1.999 20 5 DDBDLO CC[N@@H+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288610874 409172767 /nfs/dbraw/zinc/17/27/67/409172767.db2.gz WZXQKNDXZAYYJQ-JTQLQIEISA-N 1 2 309.370 1.608 20 5 DDBDLO CC[N@H+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288610874 409172771 /nfs/dbraw/zinc/17/27/71/409172771.db2.gz 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CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000352113488 410490432 /nfs/dbraw/zinc/49/04/32/410490432.db2.gz JLMDCHMAZDCMSN-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000352113488 410490438 /nfs/dbraw/zinc/49/04/38/410490438.db2.gz JLMDCHMAZDCMSN-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000299122053 410532250 /nfs/dbraw/zinc/53/22/50/410532250.db2.gz XWJVGWXWKFUVKD-NSHDSACASA-N 1 2 304.306 1.375 20 5 DDBDLO CCn1nccc1C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000355527439 410564771 /nfs/dbraw/zinc/56/47/71/410564771.db2.gz FMHZNWDFLPNOMA-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000355527439 410564775 /nfs/dbraw/zinc/56/47/75/410564775.db2.gz FMHZNWDFLPNOMA-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000330509653 410736520 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DDBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599494464 357956213 /nfs/dbraw/zinc/95/62/13/357956213.db2.gz HUUGFWOOUUOASS-HNNXBMFYSA-N 1 2 324.381 1.988 20 5 DDBDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599539310 357967107 /nfs/dbraw/zinc/96/71/07/357967107.db2.gz ACAWAYGVPBFDPU-ZDUSSCGKSA-N 1 2 322.365 1.033 20 5 DDBDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599539310 357967109 /nfs/dbraw/zinc/96/71/09/357967109.db2.gz ACAWAYGVPBFDPU-ZDUSSCGKSA-N 1 2 322.365 1.033 20 5 DDBDLO COc1cccc2c1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000599643869 358003473 /nfs/dbraw/zinc/00/34/73/358003473.db2.gz HWJMNRGORBFDET-CYBMUJFWSA-N 1 2 318.333 1.177 20 5 DDBDLO COc1cccc2c1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000599643869 358003478 /nfs/dbraw/zinc/00/34/78/358003478.db2.gz HWJMNRGORBFDET-CYBMUJFWSA-N 1 2 318.333 1.177 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000599694265 358028977 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1.580 20 5 DDBDLO CCC(F)(F)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600761561 358310405 /nfs/dbraw/zinc/31/04/05/358310405.db2.gz LPNMARWKWVAVSH-NSHDSACASA-N 1 2 304.293 1.969 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000601029037 358387120 /nfs/dbraw/zinc/38/71/20/358387120.db2.gz GFUSAPZWCNTDHV-SNVBAGLBSA-N 1 2 311.313 1.184 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000601029037 358387122 /nfs/dbraw/zinc/38/71/22/358387122.db2.gz GFUSAPZWCNTDHV-SNVBAGLBSA-N 1 2 311.313 1.184 20 5 DDBDLO CC(C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000601101665 358403099 /nfs/dbraw/zinc/40/30/99/358403099.db2.gz RKGCSNSRSQHALW-CYBMUJFWSA-N 1 2 312.345 1.898 20 5 DDBDLO COc1ccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c(OC)c1 ZINC000602432527 358973146 /nfs/dbraw/zinc/97/31/46/358973146.db2.gz HAFYQZWWMVPAQC-UHFFFAOYSA-N 1 2 320.349 1.978 20 5 DDBDLO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c(OC)c1 ZINC000602432527 358973149 /nfs/dbraw/zinc/97/31/49/358973149.db2.gz HAFYQZWWMVPAQC-UHFFFAOYSA-N 1 2 320.349 1.978 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000602602199 359066133 /nfs/dbraw/zinc/06/61/33/359066133.db2.gz BFBURGCNWAAESY-NWDGAFQWSA-N 1 2 305.334 1.515 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000602645157 359095720 /nfs/dbraw/zinc/09/57/20/359095720.db2.gz VKEBOKRUQJRZGB-LLVKDONJSA-N 1 2 310.354 1.098 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000602645157 359095724 /nfs/dbraw/zinc/09/57/24/359095724.db2.gz VKEBOKRUQJRZGB-LLVKDONJSA-N 1 2 310.354 1.098 20 5 DDBDLO COC(=O)C1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCCC1 ZINC000602776743 359183475 /nfs/dbraw/zinc/18/34/75/359183475.db2.gz AOWSDHMTQVGYQS-UHFFFAOYSA-N 1 2 310.354 1.565 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602903570 359284588 /nfs/dbraw/zinc/28/45/88/359284588.db2.gz RFJYVRZZAWRKEY-WFASDCNBSA-N 1 2 317.349 1.648 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602903570 359284591 /nfs/dbraw/zinc/28/45/91/359284591.db2.gz RFJYVRZZAWRKEY-WFASDCNBSA-N 1 2 317.349 1.648 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602896778 359279364 /nfs/dbraw/zinc/27/93/64/359279364.db2.gz GXFGSMFBKBZNRE-LBPRGKRZSA-N 1 2 302.338 1.727 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602896778 359279366 /nfs/dbraw/zinc/27/93/66/359279366.db2.gz GXFGSMFBKBZNRE-LBPRGKRZSA-N 1 2 302.338 1.727 20 5 DDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000603374679 359600354 /nfs/dbraw/zinc/60/03/54/359600354.db2.gz LTKZSLKDVTYMAV-UHFFFAOYSA-N 1 2 313.379 1.310 20 5 DDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000603374679 359600358 /nfs/dbraw/zinc/60/03/58/359600358.db2.gz LTKZSLKDVTYMAV-UHFFFAOYSA-N 1 2 313.379 1.310 20 5 DDBDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)C[NH2+]1 ZINC000237639833 202313656 /nfs/dbraw/zinc/31/36/56/202313656.db2.gz PYIISFVIGGMCLO-RKDXNWHRSA-N 1 2 303.322 1.294 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000188892433 200317488 /nfs/dbraw/zinc/31/74/88/200317488.db2.gz STKUDSMTEVALPW-UHFFFAOYSA-N 1 2 303.322 1.479 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000188892433 200317490 /nfs/dbraw/zinc/31/74/90/200317490.db2.gz STKUDSMTEVALPW-UHFFFAOYSA-N 1 2 303.322 1.479 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609130974 360263038 /nfs/dbraw/zinc/26/30/38/360263038.db2.gz DUCVQHFMGKKOHI-GFCCVEGCSA-N 1 2 315.333 1.972 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000609599861 360331567 /nfs/dbraw/zinc/33/15/67/360331567.db2.gz NALMANVVWDIVHF-UHFFFAOYSA-N 1 2 321.381 1.581 20 5 DDBDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204711 360659454 /nfs/dbraw/zinc/65/94/54/360659454.db2.gz XMWKWUSIWLVVLH-NSHDSACASA-N 1 2 322.365 1.332 20 5 DDBDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204711 360659455 /nfs/dbraw/zinc/65/94/55/360659455.db2.gz XMWKWUSIWLVVLH-NSHDSACASA-N 1 2 322.365 1.332 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292722159 223217096 /nfs/dbraw/zinc/21/70/96/223217096.db2.gz FLBCNCXHAWIYLY-LBPRGKRZSA-N 1 2 312.391 1.770 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292722159 223217099 /nfs/dbraw/zinc/21/70/99/223217099.db2.gz FLBCNCXHAWIYLY-LBPRGKRZSA-N 1 2 312.391 1.770 20 5 DDBDLO Cc1c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1C ZINC000268941038 291541786 /nfs/dbraw/zinc/54/17/86/291541786.db2.gz LIHPOTGYSJBXJG-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCn1cc[nH+]c1 ZINC000288397738 220131976 /nfs/dbraw/zinc/13/19/76/220131976.db2.gz PZGCDPVWVSDTID-UHFFFAOYSA-N 1 2 302.334 1.883 20 5 DDBDLO COc1cc(C[NH2+]Cc2cnnn2C)c([N+](=O)[O-])cc1OC ZINC000288499110 220182236 /nfs/dbraw/zinc/18/22/36/220182236.db2.gz RQGHPTKFRVAVQJ-UHFFFAOYSA-N 1 2 307.310 1.030 20 5 DDBDLO Nc1nsc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000267901189 206327322 /nfs/dbraw/zinc/32/73/22/206327322.db2.gz JTMBYICDWDSYJI-UHFFFAOYSA-N 1 2 320.378 1.351 20 5 DDBDLO CCc1n[nH]c(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000338594646 250048432 /nfs/dbraw/zinc/04/84/32/250048432.db2.gz ZWRVZIZYXKNFOS-UHFFFAOYSA-N 1 2 318.337 1.271 20 5 DDBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000340665062 251157304 /nfs/dbraw/zinc/15/73/04/251157304.db2.gz BODNWSBBTWQQFI-UHFFFAOYSA-N 1 2 317.227 1.612 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)on1 ZINC000192768900 291889580 /nfs/dbraw/zinc/88/95/80/291889580.db2.gz DYLIPWHPJWLPNE-UHFFFAOYSA-N 1 2 317.349 1.796 20 5 DDBDLO CN1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000352666526 285209568 /nfs/dbraw/zinc/20/95/68/285209568.db2.gz HTYMEPKVBHGZNV-LBPRGKRZSA-N 1 2 303.322 1.134 20 5 DDBDLO CN1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000352666526 285209570 /nfs/dbraw/zinc/20/95/70/285209570.db2.gz HTYMEPKVBHGZNV-LBPRGKRZSA-N 1 2 303.322 1.134 20 5 DDBDLO COc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000352767005 285286810 /nfs/dbraw/zinc/28/68/10/285286810.db2.gz FATPOTWBRAOALJ-GFCCVEGCSA-N 1 2 305.334 1.410 20 5 DDBDLO COc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000352767005 285286815 /nfs/dbraw/zinc/28/68/15/285286815.db2.gz FATPOTWBRAOALJ-GFCCVEGCSA-N 1 2 305.334 1.410 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286330575 291998277 /nfs/dbraw/zinc/99/82/77/291998277.db2.gz LMEBDKWJMUEKOP-OCCSQVGLSA-N 1 2 306.366 1.598 20 5 DDBDLO O=C(CC[NH2+][C@@H](CCO)C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000569927730 304384839 /nfs/dbraw/zinc/38/48/39/304384839.db2.gz HZXWNPRANISOQH-JTQLQIEISA-N 1 2 317.292 1.529 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)n1 ZINC000127522591 292286966 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DDBDLO COC(=O)COc1ccc(C[N@H+]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000449389949 421004677 /nfs/dbraw/zinc/00/46/77/421004677.db2.gz FFVZALMRHFDCML-NSHDSACASA-N 1 2 312.297 1.690 20 5 DDBDLO O=C(NC1(CO)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450339992 421186187 /nfs/dbraw/zinc/18/61/87/421186187.db2.gz CSPWYWNGKVPUSS-UHFFFAOYSA-N 1 2 302.290 1.035 20 5 DDBDLO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000547757267 421364007 /nfs/dbraw/zinc/36/40/07/421364007.db2.gz JITMDFXOJSDGBL-UHFFFAOYSA-N 1 2 305.334 1.657 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000514612837 421440635 /nfs/dbraw/zinc/44/06/35/421440635.db2.gz XEVSKHGZJDEYGL-HNNXBMFYSA-N 1 2 323.349 1.116 20 5 DDBDLO O=C1N=NCN1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000550955037 421525489 /nfs/dbraw/zinc/52/54/89/421525489.db2.gz RRHRIQVJSNCQIB-UHFFFAOYSA-N 1 2 309.351 1.791 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C)nc2N)c1 ZINC000515325932 421492782 /nfs/dbraw/zinc/49/27/82/421492782.db2.gz KXDHIDOOSKATGK-UHFFFAOYSA-N 1 2 317.305 1.214 20 5 DDBDLO CN(C)C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000549562399 421502189 /nfs/dbraw/zinc/50/21/89/421502189.db2.gz OJNCKAFDAKKVQF-UHFFFAOYSA-N 1 2 306.366 1.437 20 5 DDBDLO COC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530628113 421610396 /nfs/dbraw/zinc/61/03/96/421610396.db2.gz TYOFOLDSSNPOBF-UHFFFAOYSA-N 1 2 318.333 1.467 20 5 DDBDLO COC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530628113 421610399 /nfs/dbraw/zinc/61/03/99/421610399.db2.gz TYOFOLDSSNPOBF-UHFFFAOYSA-N 1 2 318.333 1.467 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522288628 421823056 /nfs/dbraw/zinc/82/30/56/421823056.db2.gz JWNWIYMFZJOUJT-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522288628 421823058 /nfs/dbraw/zinc/82/30/58/421823058.db2.gz JWNWIYMFZJOUJT-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574159407 422068475 /nfs/dbraw/zinc/06/84/75/422068475.db2.gz COGMFVOXKGCTOI-OAHLLOKOSA-N 1 2 305.334 1.516 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000584004628 422238545 /nfs/dbraw/zinc/23/85/45/422238545.db2.gz QJNZXVYNPUKFCJ-IONNQARKSA-N 1 2 302.294 1.204 20 5 DDBDLO COC(=O)c1ccnc(NCCc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000598630934 422397319 /nfs/dbraw/zinc/39/73/19/422397319.db2.gz JMUQWTSSVKIZNV-UHFFFAOYSA-N 1 2 316.317 2.134 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000345541219 272276981 /nfs/dbraw/zinc/27/69/81/272276981.db2.gz REUAJJLTWJDOIZ-UHFFFAOYSA-N 1 2 312.289 1.766 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000121375789 281137477 /nfs/dbraw/zinc/13/74/77/281137477.db2.gz PZZACFSTWHJWLB-AATRIKPKSA-N 1 2 300.318 1.700 20 5 DDBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1ccc([N+](=O)[O-])cn1 ZINC000377437822 302180391 /nfs/dbraw/zinc/18/03/91/302180391.db2.gz IOTLHKWUAHGEKH-UHFFFAOYSA-N 1 2 311.261 1.218 20 5 DDBDLO Nc1ccc([N+](=O)[O-])c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000367181539 307088230 /nfs/dbraw/zinc/08/82/30/307088230.db2.gz YUPIGPRDPQWEEK-CQSZACIVSA-N 1 2 317.349 1.850 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000378269359 307284354 /nfs/dbraw/zinc/28/43/54/307284354.db2.gz PRBRGJWEPCMDTC-LLVKDONJSA-N 1 2 300.318 1.958 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CO1 ZINC000572366454 308219064 /nfs/dbraw/zinc/21/90/64/308219064.db2.gz SEROHKFKSMRTMM-CMPLNLGQSA-N 1 2 316.317 1.688 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370902583 483927040 /nfs/dbraw/zinc/92/70/40/483927040.db2.gz KGWCPXMNUULJML-NSHDSACASA-N 1 2 300.318 1.534 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370902583 483927041 /nfs/dbraw/zinc/92/70/41/483927041.db2.gz KGWCPXMNUULJML-NSHDSACASA-N 1 2 300.318 1.534 20 5 DDBDLO CCOc1cc(C[NH2+][C@H](C)c2nncn2C)ccc1[N+](=O)[O-] ZINC000491867874 528283071 /nfs/dbraw/zinc/28/30/71/528283071.db2.gz JVTIFRDGPDCDPK-SNVBAGLBSA-N 1 2 305.338 1.973 20 5 DDBDLO CCCNC(=O)C1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000073769385 696407462 /nfs/dbraw/zinc/40/74/62/696407462.db2.gz ACBIWVMEKYHAGZ-UHFFFAOYSA-N 1 2 323.397 1.604 20 5 DDBDLO Cc1cnc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985430297 697510074 /nfs/dbraw/zinc/51/00/74/697510074.db2.gz FDLZBGUSAJIQHY-CHWSQXEVSA-N 1 2 322.365 1.071 20 5 DDBDLO Cc1cnc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985430297 697510076 /nfs/dbraw/zinc/51/00/76/697510076.db2.gz FDLZBGUSAJIQHY-CHWSQXEVSA-N 1 2 322.365 1.071 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)OCc2cccc3[nH+]ccn32)n1 ZINC000780446556 698519045 /nfs/dbraw/zinc/51/90/45/698519045.db2.gz GDKRRGKQDHTXMY-UHFFFAOYSA-N 1 2 301.262 1.333 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000782008029 698673172 /nfs/dbraw/zinc/67/31/72/698673172.db2.gz LKWJTXBHJLJTAS-UHFFFAOYSA-N 1 2 305.290 1.804 20 5 DDBDLO C[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000712532661 699264057 /nfs/dbraw/zinc/26/40/57/699264057.db2.gz XXRBKBXCQBGHKW-SSDOTTSWSA-N 1 2 301.144 1.868 20 5 DDBDLO C[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000712532661 699264059 /nfs/dbraw/zinc/26/40/59/699264059.db2.gz XXRBKBXCQBGHKW-SSDOTTSWSA-N 1 2 301.144 1.868 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000753679063 700449643 /nfs/dbraw/zinc/44/96/43/700449643.db2.gz MRVLEXDOHMXZQH-UHFFFAOYSA-N 1 2 319.277 1.209 20 5 DDBDLO CC[C@@H]1CC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840075800 701955022 /nfs/dbraw/zinc/95/50/22/701955022.db2.gz MNMSQUBITVVMMO-IAQYHMDHSA-N 1 2 305.334 1.974 20 5 DDBDLO CC[C@@H]1CC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840075800 701955028 /nfs/dbraw/zinc/95/50/28/701955028.db2.gz MNMSQUBITVVMMO-IAQYHMDHSA-N 1 2 305.334 1.974 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817368857 702356910 /nfs/dbraw/zinc/35/69/10/702356910.db2.gz VJESTYPFEKSJEE-GFCCVEGCSA-N 1 2 317.349 1.421 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817368857 702356919 /nfs/dbraw/zinc/35/69/19/702356919.db2.gz VJESTYPFEKSJEE-GFCCVEGCSA-N 1 2 317.349 1.421 20 5 DDBDLO O=C(NCC[NH+]1CCC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848586602 703566136 /nfs/dbraw/zinc/56/61/36/703566136.db2.gz WFYVYQRYPCXZHT-UHFFFAOYSA-N 1 2 315.276 1.388 20 5 DDBDLO CO[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853493658 704249804 /nfs/dbraw/zinc/24/98/04/704249804.db2.gz CMERJOJXIKCAQI-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO CO[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853493658 704249805 /nfs/dbraw/zinc/24/98/05/704249805.db2.gz CMERJOJXIKCAQI-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000876766082 705865403 /nfs/dbraw/zinc/86/54/03/705865403.db2.gz APKGMWPDHXLNSZ-LBPRGKRZSA-N 1 2 305.334 1.848 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000876766082 705865407 /nfs/dbraw/zinc/86/54/07/705865407.db2.gz APKGMWPDHXLNSZ-LBPRGKRZSA-N 1 2 305.334 1.848 20 5 DDBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877820642 706224680 /nfs/dbraw/zinc/22/46/80/706224680.db2.gz JCOZEKOYGVPWHZ-WCBMZHEXSA-N 1 2 322.287 1.870 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877820642 706224681 /nfs/dbraw/zinc/22/46/81/706224681.db2.gz JCOZEKOYGVPWHZ-WCBMZHEXSA-N 1 2 322.287 1.870 20 5 DDBDLO CCc1nn(C)c(NCC[N@H+]2CCOC[C@@H]2CC)c1[N+](=O)[O-] ZINC000872771862 707593506 /nfs/dbraw/zinc/59/35/06/707593506.db2.gz MBDIZBZIYOSFRW-NSHDSACASA-N 1 2 311.386 1.413 20 5 DDBDLO CCc1nn(C)c(NCC[N@@H+]2CCOC[C@@H]2CC)c1[N+](=O)[O-] ZINC000872771862 707593508 /nfs/dbraw/zinc/59/35/08/707593508.db2.gz MBDIZBZIYOSFRW-NSHDSACASA-N 1 2 311.386 1.413 20 5 DDBDLO Cn1nccc1[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839178611 708033846 /nfs/dbraw/zinc/03/38/46/708033846.db2.gz FRUZXYFQYSDEDL-GFCCVEGCSA-N 1 2 310.741 1.805 20 5 DDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886284510 708735871 /nfs/dbraw/zinc/73/58/71/708735871.db2.gz ZOKZIRTUGURFCX-GFCCVEGCSA-N 1 2 307.354 1.178 20 5 DDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886284510 708735872 /nfs/dbraw/zinc/73/58/72/708735872.db2.gz ZOKZIRTUGURFCX-GFCCVEGCSA-N 1 2 307.354 1.178 20 5 DDBDLO C[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000899904829 709232762 /nfs/dbraw/zinc/23/27/62/709232762.db2.gz OQAVQWWEEWLOOU-UHFFFAOYSA-N 1 2 301.705 1.775 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000900684214 709710637 /nfs/dbraw/zinc/71/06/37/709710637.db2.gz JTHRZFIYXXZCMM-UHFFFAOYSA-N 1 2 321.377 1.616 20 5 DDBDLO O=[N+]([O-])c1cccc(N2CCN(c3nccn4c[nH+]cc34)CC2)c1 ZINC000891859272 710311625 /nfs/dbraw/zinc/31/16/25/710311625.db2.gz GIIJBKRNJOJDNS-UHFFFAOYSA-N 1 2 324.344 1.964 20 5 DDBDLO COc1c(O)ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000894007590 710922321 /nfs/dbraw/zinc/92/23/21/710922321.db2.gz LVZCLGVPWAXOIO-TXEJJXNPSA-N 1 2 312.322 1.155 20 5 DDBDLO COc1c(O)ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000894007590 710922323 /nfs/dbraw/zinc/92/23/23/710922323.db2.gz LVZCLGVPWAXOIO-TXEJJXNPSA-N 1 2 312.322 1.155 20 5 DDBDLO COc1cc(N2CC[N@H+](C)[C@H](CO)C2)c(Cl)cc1[N+](=O)[O-] ZINC000894880630 711306773 /nfs/dbraw/zinc/30/67/73/711306773.db2.gz FJWHGTUTMOHXFF-VIFPVBQESA-N 1 2 315.757 1.370 20 5 DDBDLO COc1cc(N2CC[N@@H+](C)[C@H](CO)C2)c(Cl)cc1[N+](=O)[O-] ZINC000894880630 711306777 /nfs/dbraw/zinc/30/67/77/711306777.db2.gz FJWHGTUTMOHXFF-VIFPVBQESA-N 1 2 315.757 1.370 20 5 DDBDLO Cc1nn(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000905715061 712129771 /nfs/dbraw/zinc/12/97/71/712129771.db2.gz FKWQBGZEFBPUJY-GFCCVEGCSA-N 1 2 304.354 1.670 20 5 DDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000905715061 712129772 /nfs/dbraw/zinc/12/97/72/712129772.db2.gz FKWQBGZEFBPUJY-GFCCVEGCSA-N 1 2 304.354 1.670 20 5 DDBDLO COC(=O)/C=C(\C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929153798 713557951 /nfs/dbraw/zinc/55/79/51/713557951.db2.gz ALQDMNKQMHHTID-ACCUITESSA-N 1 2 319.361 1.836 20 5 DDBDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930833204 713931671 /nfs/dbraw/zinc/93/16/71/713931671.db2.gz MPOITAHJIWDSDZ-TUAOUCFPSA-N 1 2 307.350 1.571 20 5 DDBDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930833204 713931672 /nfs/dbraw/zinc/93/16/72/713931672.db2.gz MPOITAHJIWDSDZ-TUAOUCFPSA-N 1 2 307.350 1.571 20 5 DDBDLO COC1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000931638323 714146154 /nfs/dbraw/zinc/14/61/54/714146154.db2.gz DORIMRNIRICSHL-CYBMUJFWSA-N 1 2 314.313 1.290 20 5 DDBDLO COC1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000931638323 714146155 /nfs/dbraw/zinc/14/61/55/714146155.db2.gz DORIMRNIRICSHL-CYBMUJFWSA-N 1 2 314.313 1.290 20 5 DDBDLO Cc1ccc(C)c(C[NH+]2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001030292169 744025580 /nfs/dbraw/zinc/02/55/80/744025580.db2.gz WGVUXMSUAHHBOM-HUUCEWRRSA-N 1 2 303.362 1.269 20 5 DDBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829559 746274532 /nfs/dbraw/zinc/27/45/32/746274532.db2.gz YMYOWIAJDKHHPW-UHFFFAOYSA-N 1 2 317.349 1.821 20 5 DDBDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197759782 747247751 /nfs/dbraw/zinc/24/77/51/747247751.db2.gz QVMVRLCCHBGCJN-NSHDSACASA-N 1 2 310.329 1.627 20 5 DDBDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197759782 747247756 /nfs/dbraw/zinc/24/77/56/747247756.db2.gz QVMVRLCCHBGCJN-NSHDSACASA-N 1 2 310.329 1.627 20 5 DDBDLO COC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc2C1 ZINC001168957488 762154182 /nfs/dbraw/zinc/15/41/82/762154182.db2.gz IHIMLKNOXBTMGH-IUODEOHRSA-N 1 2 318.373 1.732 20 5 DDBDLO C[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)Cn1cc[nH+]c1 ZINC001147456369 773150870 /nfs/dbraw/zinc/15/08/70/773150870.db2.gz OWDDBQRTZUCWKI-SSDOTTSWSA-N 1 2 312.717 1.234 20 5 DDBDLO CCC[N@@H+](CC=C(Cl)Cl)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267314177 837808036 /nfs/dbraw/zinc/80/80/36/837808036.db2.gz JUVXYBNEZHHCGG-NXEZZACHSA-N 1 2 324.208 1.799 20 5 DDBDLO CCC[N@H+](CC=C(Cl)Cl)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267314177 837808046 /nfs/dbraw/zinc/80/80/46/837808046.db2.gz JUVXYBNEZHHCGG-NXEZZACHSA-N 1 2 324.208 1.799 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001123996287 859516059 /nfs/dbraw/zinc/51/60/59/859516059.db2.gz XLRUNBPZRBJWAM-UHFFFAOYSA-N 1 2 313.317 1.782 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001225601516 881930926 /nfs/dbraw/zinc/93/09/26/881930926.db2.gz PQEYTLCQGDRKPO-JTQLQIEISA-N 1 2 311.294 1.521 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001225601516 881930932 /nfs/dbraw/zinc/93/09/32/881930932.db2.gz PQEYTLCQGDRKPO-JTQLQIEISA-N 1 2 311.294 1.521 20 5 DDBDLO C[C@@]12COC[C@@H]1C[N@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720832 866962549 /nfs/dbraw/zinc/96/25/49/866962549.db2.gz CIRLVRIYLLHSCQ-ZUZCIYMTSA-N 1 2 319.317 1.429 20 5 DDBDLO C[C@@]12COC[C@@H]1C[N@@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720832 866962560 /nfs/dbraw/zinc/96/25/60/866962560.db2.gz CIRLVRIYLLHSCQ-ZUZCIYMTSA-N 1 2 319.317 1.429 20 5 DDBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc(F)cc1[N+](=O)[O-] ZINC001162849266 867865501 /nfs/dbraw/zinc/86/55/01/867865501.db2.gz JMXRFWOCXRXIPV-QMMMGPOBSA-N 1 2 300.290 1.210 20 5 DDBDLO CC(C)Oc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001164498712 869234683 /nfs/dbraw/zinc/23/46/83/869234683.db2.gz ZIVBYGOALYFALH-UHFFFAOYSA-N 1 2 316.308 1.822 20 5 DDBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H](O)C(F)(F)F)nc2c1 ZINC001308687815 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DDBDLO CSc1nc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625084 883109210 /nfs/dbraw/zinc/10/92/10/883109210.db2.gz OIAVFNBMLNHRGU-MRVPVSSYSA-N 1 2 314.367 1.675 20 5 DDBDLO COC(=O)c1c(OC[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001229049996 883791921 /nfs/dbraw/zinc/79/19/21/883791921.db2.gz QMYYTKXEPVRFQC-SNVBAGLBSA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1c(OC[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001229049996 883791933 /nfs/dbraw/zinc/79/19/33/883791933.db2.gz QMYYTKXEPVRFQC-SNVBAGLBSA-N 1 2 310.306 1.091 20 5 DDBDLO O=C(NC1CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448743913 230548499 /nfs/dbraw/zinc/54/84/99/230548499.db2.gz KZTKTHZRUJPQPL-UHFFFAOYSA-N 1 2 316.317 1.689 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451121277 231013548 /nfs/dbraw/zinc/01/35/48/231013548.db2.gz QPNIECGVZQRELB-UHFFFAOYSA-N 1 2 307.350 1.951 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C(C)C)C1COC1 ZINC000451121277 231013551 /nfs/dbraw/zinc/01/35/51/231013551.db2.gz QPNIECGVZQRELB-UHFFFAOYSA-N 1 2 307.350 1.951 20 5 DDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000299313343 529785786 /nfs/dbraw/zinc/78/57/86/529785786.db2.gz CCXPWEUKEMCKSI-UHFFFAOYSA-N 1 2 318.377 1.581 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000457966162 232165123 /nfs/dbraw/zinc/16/51/23/232165123.db2.gz UXGZMCRJNOTSML-UHFFFAOYSA-N 1 2 317.349 1.413 20 5 DDBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)C1 ZINC000272641326 210045922 /nfs/dbraw/zinc/04/59/22/210045922.db2.gz LRUGGRDAFWROBM-SNVBAGLBSA-N 1 2 307.310 1.755 20 5 DDBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)C1 ZINC000272641326 210045924 /nfs/dbraw/zinc/04/59/24/210045924.db2.gz LRUGGRDAFWROBM-SNVBAGLBSA-N 1 2 307.310 1.755 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCn1cc[nH+]c1 ZINC000286945662 219237745 /nfs/dbraw/zinc/23/77/45/219237745.db2.gz MJBWYHTZQZQKBT-UHFFFAOYSA-N 1 2 304.306 1.998 20 5 DDBDLO COc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000280011994 215311177 /nfs/dbraw/zinc/31/11/77/215311177.db2.gz UNQRRVNAWJRGNA-UHFFFAOYSA-N 1 2 318.333 1.586 20 5 DDBDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025940027 352203713 /nfs/dbraw/zinc/20/37/13/352203713.db2.gz CIJOXSWCPLISJO-UHFFFAOYSA-N 1 2 313.379 1.062 20 5 DDBDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025940027 352203716 /nfs/dbraw/zinc/20/37/16/352203716.db2.gz CIJOXSWCPLISJO-UHFFFAOYSA-N 1 2 313.379 1.062 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](O)C1 ZINC000072628183 191204574 /nfs/dbraw/zinc/20/45/74/191204574.db2.gz RMGYGJSOMAAMCY-LBPRGKRZSA-N 1 2 316.317 1.377 20 5 DDBDLO CC(=O)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000067949544 353076798 /nfs/dbraw/zinc/07/67/98/353076798.db2.gz IFNVWQDJZHEUSE-UHFFFAOYSA-N 1 2 307.350 1.932 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665028 353207871 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DDBDLO C[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000046862996 407064926 /nfs/dbraw/zinc/06/49/26/407064926.db2.gz FMGMYXPQQCRVOP-CYBMUJFWSA-N 1 2 307.350 1.322 20 5 DDBDLO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000255374476 407473851 /nfs/dbraw/zinc/47/38/51/407473851.db2.gz HSZDCMWJQGSBMZ-SMYYYNMVSA-N 1 2 307.350 1.430 20 5 DDBDLO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000255374476 407473854 /nfs/dbraw/zinc/47/38/54/407473854.db2.gz HSZDCMWJQGSBMZ-SMYYYNMVSA-N 1 2 307.350 1.430 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170772433 407497555 /nfs/dbraw/zinc/49/75/55/407497555.db2.gz QCTUCWRXTBMBFD-LLVKDONJSA-N 1 2 323.349 1.653 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170772433 407497562 /nfs/dbraw/zinc/49/75/62/407497562.db2.gz QCTUCWRXTBMBFD-LLVKDONJSA-N 1 2 323.349 1.653 20 5 DDBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCNC1=O ZINC000130008533 407642334 /nfs/dbraw/zinc/64/23/34/407642334.db2.gz YYOKZVXYDXFRDL-UHFFFAOYSA-N 1 2 318.333 1.111 20 5 DDBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCNC1=O ZINC000130008533 407642339 /nfs/dbraw/zinc/64/23/39/407642339.db2.gz YYOKZVXYDXFRDL-UHFFFAOYSA-N 1 2 318.333 1.111 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000152949304 407722202 /nfs/dbraw/zinc/72/22/02/407722202.db2.gz HEEIWRLBZOCLHE-ZIAGYGMSSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000152949304 407722207 /nfs/dbraw/zinc/72/22/07/407722207.db2.gz HEEIWRLBZOCLHE-ZIAGYGMSSA-N 1 2 305.334 1.058 20 5 DDBDLO O=C(NCC[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134480584 407902428 /nfs/dbraw/zinc/90/24/28/407902428.db2.gz JUQNZRQAFSSGPP-UHFFFAOYSA-N 1 2 313.741 1.310 20 5 DDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000272514908 407958887 /nfs/dbraw/zinc/95/88/87/407958887.db2.gz KOEPBOAWMDZQAP-UHFFFAOYSA-N 1 2 305.334 1.611 20 5 DDBDLO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC(C)(C)C ZINC000153929518 407932627 /nfs/dbraw/zinc/93/26/27/407932627.db2.gz QPXYSVTVVMLNEJ-UHFFFAOYSA-N 1 2 312.370 1.843 20 5 DDBDLO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC(C)(C)C ZINC000153929518 407932631 /nfs/dbraw/zinc/93/26/31/407932631.db2.gz QPXYSVTVVMLNEJ-UHFFFAOYSA-N 1 2 312.370 1.843 20 5 DDBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000273340515 408159616 /nfs/dbraw/zinc/15/96/16/408159616.db2.gz NPXZGVKEPIOHTK-LBPRGKRZSA-N 1 2 314.363 1.089 20 5 DDBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000273340515 408159622 /nfs/dbraw/zinc/15/96/22/408159622.db2.gz NPXZGVKEPIOHTK-LBPRGKRZSA-N 1 2 314.363 1.089 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000190309289 408216822 /nfs/dbraw/zinc/21/68/22/408216822.db2.gz XPOWSLQAXNNDGB-UHFFFAOYSA-N 1 2 305.363 1.769 20 5 DDBDLO C[C@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000176506436 408385642 /nfs/dbraw/zinc/38/56/42/408385642.db2.gz ASZMTFDCKYWRQE-WDEREUQCSA-N 1 2 322.365 1.016 20 5 DDBDLO COc1cc(C(=O)NCc2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000264327110 408448249 /nfs/dbraw/zinc/44/82/49/408448249.db2.gz RWCXAXHJCSJNEW-UHFFFAOYSA-N 1 2 320.305 1.276 20 5 DDBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276102120 408820906 /nfs/dbraw/zinc/82/09/06/408820906.db2.gz SXGOPFQBTJJKHS-UHFFFAOYSA-N 1 2 324.362 1.368 20 5 DDBDLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194394030 163281907 /nfs/dbraw/zinc/28/19/07/163281907.db2.gz BNZLDCNPGHZDNI-VIFPVBQESA-N 1 2 319.408 1.419 20 5 DDBDLO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286905148 409000574 /nfs/dbraw/zinc/00/05/74/409000574.db2.gz COQKFBNTQHFMGI-AAEUAGOBSA-N 1 2 319.361 1.999 20 5 DDBDLO O=[N+]([O-])c1cnc(Nc2cnn(CC[NH+]3CCOCC3)c2)s1 ZINC000282075505 408985450 /nfs/dbraw/zinc/98/54/50/408985450.db2.gz ZGWGEPRIUKRSOA-UHFFFAOYSA-N 1 2 324.366 1.324 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277750316 409006042 /nfs/dbraw/zinc/00/60/42/409006042.db2.gz CATUXOBJFNNVHL-UHFFFAOYSA-N 1 2 319.361 1.498 20 5 DDBDLO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)C1 ZINC000293931284 409209670 /nfs/dbraw/zinc/20/96/70/409209670.db2.gz QJCNOXGLDZDKNA-HNNXBMFYSA-N 1 2 305.334 1.468 20 5 DDBDLO C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)C1 ZINC000293931284 409209672 /nfs/dbraw/zinc/20/96/72/409209672.db2.gz QJCNOXGLDZDKNA-HNNXBMFYSA-N 1 2 305.334 1.468 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000294337578 409282330 /nfs/dbraw/zinc/28/23/30/409282330.db2.gz AOENYPXMWYBUQX-UHFFFAOYSA-N 1 2 319.321 1.210 20 5 DDBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513492 409587504 /nfs/dbraw/zinc/58/75/04/409587504.db2.gz NEDLVYIHIDEJJT-NOZJJQNGSA-N 1 2 305.334 1.513 20 5 DDBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513492 409587510 /nfs/dbraw/zinc/58/75/10/409587510.db2.gz NEDLVYIHIDEJJT-NOZJJQNGSA-N 1 2 305.334 1.513 20 5 DDBDLO Cc1nc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000304289381 409597118 /nfs/dbraw/zinc/59/71/18/409597118.db2.gz BSSLAZBACDCQRX-LBPRGKRZSA-N 1 2 311.367 1.049 20 5 DDBDLO Cc1nc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000304289381 409597124 /nfs/dbraw/zinc/59/71/24/409597124.db2.gz BSSLAZBACDCQRX-LBPRGKRZSA-N 1 2 311.367 1.049 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000332668685 410201034 /nfs/dbraw/zinc/20/10/34/410201034.db2.gz HOCYIJWZQROCDS-SNVBAGLBSA-N 1 2 310.354 1.492 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000332668685 410201041 /nfs/dbraw/zinc/20/10/41/410201041.db2.gz HOCYIJWZQROCDS-SNVBAGLBSA-N 1 2 310.354 1.492 20 5 DDBDLO Cc1nc(N(C)C)nc(NCc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000357850837 410297754 /nfs/dbraw/zinc/29/77/54/410297754.db2.gz DPMVTDPHVHIWEL-UHFFFAOYSA-N 1 2 302.338 2.075 20 5 DDBDLO Cc1nc(NCc2cccc([N+](=O)[O-])c2C)nc(N(C)C)[nH+]1 ZINC000357850837 410297761 /nfs/dbraw/zinc/29/77/61/410297761.db2.gz DPMVTDPHVHIWEL-UHFFFAOYSA-N 1 2 302.338 2.075 20 5 DDBDLO COc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000351981929 410389775 /nfs/dbraw/zinc/38/97/75/410389775.db2.gz BIWFCUPFFGNBPI-NSHDSACASA-N 1 2 314.363 1.222 20 5 DDBDLO COc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000351981929 410389778 /nfs/dbraw/zinc/38/97/78/410389778.db2.gz BIWFCUPFFGNBPI-NSHDSACASA-N 1 2 314.363 1.222 20 5 DDBDLO COc1cc(OCC(=O)N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000347505512 410592325 /nfs/dbraw/zinc/59/23/25/410592325.db2.gz VAHDUSGKAXGZTO-UHFFFAOYSA-N 1 2 320.305 1.364 20 5 DDBDLO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cn1cc[nH+]c1 ZINC000301140064 410663719 /nfs/dbraw/zinc/66/37/19/410663719.db2.gz AFUUKQKSQPLKPA-VIFPVBQESA-N 1 2 304.310 1.033 20 5 DDBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355732337 410666611 /nfs/dbraw/zinc/66/66/11/410666611.db2.gz JUADGAGGPAXFQZ-OLZOCXBDSA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355732337 410666614 /nfs/dbraw/zinc/66/66/14/410666614.db2.gz JUADGAGGPAXFQZ-OLZOCXBDSA-N 1 2 323.397 1.550 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000360248861 411113290 /nfs/dbraw/zinc/11/32/90/411113290.db2.gz HPJMFABTGVGAAG-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000360248861 411113292 /nfs/dbraw/zinc/11/32/92/411113292.db2.gz HPJMFABTGVGAAG-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO COC(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc([N+](=O)[O-])c1 ZINC000580568522 422942178 /nfs/dbraw/zinc/94/21/78/422942178.db2.gz IZJSIHAECVMVSR-SNVBAGLBSA-N 1 2 321.333 1.660 20 5 DDBDLO C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)n1cc[nH+]c1 ZINC000351416989 306765094 /nfs/dbraw/zinc/76/50/94/306765094.db2.gz AZDDQEREAZRJOF-JTQLQIEISA-N 1 2 314.305 1.964 20 5 DDBDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297382405 227093790 /nfs/dbraw/zinc/09/37/90/227093790.db2.gz GODUMWKDMJUBFV-LBPRGKRZSA-N 1 2 322.365 1.287 20 5 DDBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085782 418428619 /nfs/dbraw/zinc/42/86/19/418428619.db2.gz HBWCOSCTKYTGRL-UHIISALHSA-N 1 2 310.354 1.097 20 5 DDBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O2 ZINC000366085782 418428621 /nfs/dbraw/zinc/42/86/21/418428621.db2.gz HBWCOSCTKYTGRL-UHIISALHSA-N 1 2 310.354 1.097 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000373769066 418458835 /nfs/dbraw/zinc/45/88/35/418458835.db2.gz GJFOGWLDBURCIU-OAHLLOKOSA-N 1 2 308.334 1.595 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000373769066 418458837 /nfs/dbraw/zinc/45/88/37/418458837.db2.gz GJFOGWLDBURCIU-OAHLLOKOSA-N 1 2 308.334 1.595 20 5 DDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366841994 418525209 /nfs/dbraw/zinc/52/52/09/418525209.db2.gz LEUKYUZKVJZGTQ-CQSZACIVSA-N 1 2 320.349 1.533 20 5 DDBDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367040906 418554667 /nfs/dbraw/zinc/55/46/67/418554667.db2.gz OKQOYHUKSWANJT-FPMFFAJLSA-N 1 2 324.381 1.344 20 5 DDBDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367040906 418554669 /nfs/dbraw/zinc/55/46/69/418554669.db2.gz OKQOYHUKSWANJT-FPMFFAJLSA-N 1 2 324.381 1.344 20 5 DDBDLO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000367648940 418619336 /nfs/dbraw/zinc/61/93/36/418619336.db2.gz NZAAIPWNFNBBKP-BTOWRCTQSA-N 1 2 319.361 1.936 20 5 DDBDLO CCN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1=O ZINC000425911070 419365584 /nfs/dbraw/zinc/36/55/84/419365584.db2.gz ABZVPWZVJVKUJS-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO CCN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1=O ZINC000425911070 419365588 /nfs/dbraw/zinc/36/55/88/419365588.db2.gz ABZVPWZVJVKUJS-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000412027673 419566865 /nfs/dbraw/zinc/56/68/65/419566865.db2.gz QKDDBSSYTAKNSJ-MWLCHTKSSA-N 1 2 324.362 1.537 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412032035 419574916 /nfs/dbraw/zinc/57/49/16/419574916.db2.gz HCCBYFFRHPAOKF-PWSUYJOCSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412032035 419574922 /nfs/dbraw/zinc/57/49/22/419574922.db2.gz HCCBYFFRHPAOKF-PWSUYJOCSA-N 1 2 307.350 1.544 20 5 DDBDLO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000421388746 419591017 /nfs/dbraw/zinc/59/10/17/419591017.db2.gz KUYNCZFRTHLTTN-LBPRGKRZSA-N 1 2 323.349 1.322 20 5 DDBDLO COc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000421388746 419591025 /nfs/dbraw/zinc/59/10/25/419591025.db2.gz KUYNCZFRTHLTTN-LBPRGKRZSA-N 1 2 323.349 1.322 20 5 DDBDLO Nc1cc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc[nH+]1 ZINC000443464605 420752360 /nfs/dbraw/zinc/75/23/60/420752360.db2.gz FHVIYOIENNZAKX-UHFFFAOYSA-N 1 2 313.273 1.437 20 5 DDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cccc([N+](=O)[O-])c1 ZINC000454140943 420806061 /nfs/dbraw/zinc/80/60/61/420806061.db2.gz FUDCFCHOUHKFBD-OKILXGFUSA-N 1 2 320.349 1.580 20 5 DDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cccc([N+](=O)[O-])c1 ZINC000454140943 420806064 /nfs/dbraw/zinc/80/60/64/420806064.db2.gz FUDCFCHOUHKFBD-OKILXGFUSA-N 1 2 320.349 1.580 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449529674 421021565 /nfs/dbraw/zinc/02/15/65/421021565.db2.gz YXYNBLMTLNECLI-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449529674 421021569 /nfs/dbraw/zinc/02/15/69/421021569.db2.gz YXYNBLMTLNECLI-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216146 421123685 /nfs/dbraw/zinc/12/36/85/421123685.db2.gz NDLRCTHSCAJIIJ-GASCZTMLSA-N 1 2 319.361 1.117 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216146 421123695 /nfs/dbraw/zinc/12/36/95/421123695.db2.gz NDLRCTHSCAJIIJ-GASCZTMLSA-N 1 2 319.361 1.117 20 5 DDBDLO [NH3+][C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cscn1 ZINC000562972553 421432904 /nfs/dbraw/zinc/43/29/04/421432904.db2.gz IGAQWYAJMGWXJP-CYBMUJFWSA-N 1 2 318.358 1.636 20 5 DDBDLO CC(=O)c1cc(NCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000553051796 421598581 /nfs/dbraw/zinc/59/85/81/421598581.db2.gz AVFDROCZAFEHDR-NSHDSACASA-N 1 2 307.350 1.930 20 5 DDBDLO CC(=O)c1cc(NCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000553051796 421598583 /nfs/dbraw/zinc/59/85/83/421598583.db2.gz AVFDROCZAFEHDR-NSHDSACASA-N 1 2 307.350 1.930 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NCc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000556872421 421748760 /nfs/dbraw/zinc/74/87/60/421748760.db2.gz POZLEHYZESLCTN-CQSZACIVSA-N 1 2 312.333 1.931 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LBOFBSJPRDEXFE-LLVKDONJSA-N 1 2 318.333 1.692 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(F)c1 ZINC000577419322 308387249 /nfs/dbraw/zinc/38/72/49/308387249.db2.gz RQIGGNPLSHHCFF-OQPBUACISA-N 1 2 302.277 1.048 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(F)c1 ZINC000577419322 308387250 /nfs/dbraw/zinc/38/72/50/308387250.db2.gz RQIGGNPLSHHCFF-OQPBUACISA-N 1 2 302.277 1.048 20 5 DDBDLO COc1cccc([N+](=O)[O-])c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000578247045 308449114 /nfs/dbraw/zinc/44/91/14/308449114.db2.gz KRUYXHIXOICGKX-UHFFFAOYSA-N 1 2 317.349 1.649 20 5 DDBDLO CSCC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980672256 696839755 /nfs/dbraw/zinc/83/97/55/696839755.db2.gz LOJKNPNKSXEUIS-UHFFFAOYSA-N 1 2 323.418 1.992 20 5 DDBDLO CSCC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980672256 696839758 /nfs/dbraw/zinc/83/97/58/696839758.db2.gz LOJKNPNKSXEUIS-UHFFFAOYSA-N 1 2 323.418 1.992 20 5 DDBDLO CC[N@H+](CCC(=O)OC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000151970785 696893177 /nfs/dbraw/zinc/89/31/77/696893177.db2.gz KXGDFGJIRNVWCR-UHFFFAOYSA-N 1 2 323.305 1.345 20 5 DDBDLO CC[N@@H+](CCC(=O)OC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000151970785 696893181 /nfs/dbraw/zinc/89/31/81/696893181.db2.gz KXGDFGJIRNVWCR-UHFFFAOYSA-N 1 2 323.305 1.345 20 5 DDBDLO Cc1c(CC(=O)OCC[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000800187656 700199728 /nfs/dbraw/zinc/19/97/28/700199728.db2.gz XXUJRFRAPVNFRM-GFCCVEGCSA-N 1 2 322.361 1.710 20 5 DDBDLO Cc1c(CC(=O)OCC[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000800187656 700199730 /nfs/dbraw/zinc/19/97/30/700199730.db2.gz XXUJRFRAPVNFRM-GFCCVEGCSA-N 1 2 322.361 1.710 20 5 DDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000776593479 698124153 /nfs/dbraw/zinc/12/41/53/698124153.db2.gz JVTARQUHJAORIA-CVEARBPZSA-N 1 2 321.377 1.035 20 5 DDBDLO C[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000778506592 698343060 /nfs/dbraw/zinc/34/30/60/698343060.db2.gz QCCDXGKILZKGMK-JTQLQIEISA-N 1 2 313.304 1.849 20 5 DDBDLO C[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000778506592 698343063 /nfs/dbraw/zinc/34/30/63/698343063.db2.gz QCCDXGKILZKGMK-JTQLQIEISA-N 1 2 313.304 1.849 20 5 DDBDLO COC(=O)[C@H]1CC12CC[NH+](Cn1cc([N+](=O)[O-])c(C)n1)CC2 ZINC000779860590 698476516 /nfs/dbraw/zinc/47/65/16/698476516.db2.gz CRFKXPHKRVNZRO-LLVKDONJSA-N 1 2 308.338 1.332 20 5 DDBDLO CO[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000840121597 701980677 /nfs/dbraw/zinc/98/06/77/701980677.db2.gz AWGWMDUQEXIDBA-GXFFZTMASA-N 1 2 321.333 1.817 20 5 DDBDLO CO[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000840121597 701980681 /nfs/dbraw/zinc/98/06/81/701980681.db2.gz AWGWMDUQEXIDBA-GXFFZTMASA-N 1 2 321.333 1.817 20 5 DDBDLO C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000868609573 702223704 /nfs/dbraw/zinc/22/37/04/702223704.db2.gz XBLPBEZLFWSUHH-ZRMMWKCHSA-N 1 2 319.361 1.660 20 5 DDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000843858387 702934536 /nfs/dbraw/zinc/93/45/36/702934536.db2.gz HWVMDSBNZUPKSV-SNVBAGLBSA-N 1 2 318.308 1.984 20 5 DDBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844406011 703027195 /nfs/dbraw/zinc/02/71/95/703027195.db2.gz XZBPBUJVVWWIEL-VXGBXAGGSA-N 1 2 311.294 1.085 20 5 DDBDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844406011 703027197 /nfs/dbraw/zinc/02/71/97/703027197.db2.gz XZBPBUJVVWWIEL-VXGBXAGGSA-N 1 2 311.294 1.085 20 5 DDBDLO COC[C@@H]1CC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848491383 703556806 /nfs/dbraw/zinc/55/68/06/703556806.db2.gz VCILRAJRWFFLQR-LSDHHAIUSA-N 1 2 319.361 1.589 20 5 DDBDLO COC[C@@H]1CC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848491383 703556808 /nfs/dbraw/zinc/55/68/08/703556808.db2.gz VCILRAJRWFFLQR-LSDHHAIUSA-N 1 2 319.361 1.589 20 5 DDBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852430689 704042387 /nfs/dbraw/zinc/04/23/87/704042387.db2.gz ARPZCMUAQNYSEQ-LBPRGKRZSA-N 1 2 309.297 1.760 20 5 DDBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852430689 704042391 /nfs/dbraw/zinc/04/23/91/704042391.db2.gz ARPZCMUAQNYSEQ-LBPRGKRZSA-N 1 2 309.297 1.760 20 5 DDBDLO Cc1nn(CCC(=O)N[C@H]2CCn3c[nH+]cc32)c(C)c1[N+](=O)[O-] ZINC000857986469 704656280 /nfs/dbraw/zinc/65/62/80/704656280.db2.gz VREDCTRCWBVBKC-NSHDSACASA-N 1 2 318.337 1.256 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000822365162 704929900 /nfs/dbraw/zinc/92/99/00/704929900.db2.gz PHMKROFNJKUPHS-CABCVRRESA-N 1 2 314.345 1.791 20 5 DDBDLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000874829597 705188269 /nfs/dbraw/zinc/18/82/69/705188269.db2.gz MPNFDKCGXGVBQX-ZIAGYGMSSA-N 1 2 305.334 1.609 20 5 DDBDLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000874829597 705188271 /nfs/dbraw/zinc/18/82/71/705188271.db2.gz MPNFDKCGXGVBQX-ZIAGYGMSSA-N 1 2 305.334 1.609 20 5 DDBDLO C[C@@H](O)c1cn(C2C[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000877176708 706008219 /nfs/dbraw/zinc/00/82/19/706008219.db2.gz UPKLTHRDLZRKHC-LLVKDONJSA-N 1 2 317.349 1.339 20 5 DDBDLO CC(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829015295 706273622 /nfs/dbraw/zinc/27/36/22/706273622.db2.gz FVZZAZLPBLLAOW-TXEJJXNPSA-N 1 2 321.377 1.689 20 5 DDBDLO CC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829015295 706273624 /nfs/dbraw/zinc/27/36/24/706273624.db2.gz FVZZAZLPBLLAOW-TXEJJXNPSA-N 1 2 321.377 1.689 20 5 DDBDLO CCC(=O)c1ccc(N2CC[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000829576235 706359634 /nfs/dbraw/zinc/35/96/34/706359634.db2.gz BUDGZAUAYZJANO-LBPRGKRZSA-N 1 2 321.377 1.690 20 5 DDBDLO CCC(=O)c1ccc(N2CC[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000829576235 706359639 /nfs/dbraw/zinc/35/96/39/706359639.db2.gz BUDGZAUAYZJANO-LBPRGKRZSA-N 1 2 321.377 1.690 20 5 DDBDLO Cn1nccc1[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000878702470 706473389 /nfs/dbraw/zinc/47/33/89/706473389.db2.gz KZXIGUDTYVVTDZ-NSHDSACASA-N 1 2 310.741 1.805 20 5 DDBDLO CC(=O)c1c(NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000881966897 707448105 /nfs/dbraw/zinc/44/81/05/707448105.db2.gz NORJJPOZBJBBLV-LBPRGKRZSA-N 1 2 306.366 1.455 20 5 DDBDLO CC(=O)c1c(NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000881966897 707448106 /nfs/dbraw/zinc/44/81/06/707448106.db2.gz NORJJPOZBJBBLV-LBPRGKRZSA-N 1 2 306.366 1.455 20 5 DDBDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898462477 708647607 /nfs/dbraw/zinc/64/76/07/708647607.db2.gz PFELVRHNAUXQFT-ZDUSSCGKSA-N 1 2 316.317 1.412 20 5 DDBDLO C[N@H+]1CCO[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898462477 708647609 /nfs/dbraw/zinc/64/76/09/708647609.db2.gz PFELVRHNAUXQFT-ZDUSSCGKSA-N 1 2 316.317 1.412 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000886004249 708680095 /nfs/dbraw/zinc/68/00/95/708680095.db2.gz VXQXXRQUBNEMSG-ZJUUUORDSA-N 1 2 305.256 1.877 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000886004249 708680094 /nfs/dbraw/zinc/68/00/94/708680094.db2.gz VXQXXRQUBNEMSG-ZJUUUORDSA-N 1 2 305.256 1.877 20 5 DDBDLO COC(=O)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000886848540 708862148 /nfs/dbraw/zinc/86/21/48/708862148.db2.gz HBBXIACFAZFOEK-NSHDSACASA-N 1 2 309.322 1.534 20 5 DDBDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000886848540 708862151 /nfs/dbraw/zinc/86/21/51/708862151.db2.gz HBBXIACFAZFOEK-NSHDSACASA-N 1 2 309.322 1.534 20 5 DDBDLO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000898832571 708882998 /nfs/dbraw/zinc/88/29/98/708882998.db2.gz MJWJACLITZKRSY-KGLIPLIRSA-N 1 2 319.361 1.903 20 5 DDBDLO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@]2(C)C1 ZINC000913280933 713190194 /nfs/dbraw/zinc/19/01/94/713190194.db2.gz INWRSWUWJKFRSC-HOTGVXAUSA-N 1 2 319.361 1.714 20 5 DDBDLO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913278526 713189460 /nfs/dbraw/zinc/18/94/60/713189460.db2.gz HXXRQGUYUUNZQW-HOTGVXAUSA-N 1 2 319.361 1.714 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000894842674 711293537 /nfs/dbraw/zinc/29/35/37/711293537.db2.gz ABIFLQONKMMHGU-UHFFFAOYSA-N 1 2 319.390 1.811 20 5 DDBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000931676481 714158910 /nfs/dbraw/zinc/15/89/10/714158910.db2.gz ZQTNXAYOMXBWPT-ZDUSSCGKSA-N 1 2 314.313 1.602 20 5 DDBDLO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC000933193868 714532972 /nfs/dbraw/zinc/53/29/72/714532972.db2.gz ZZXODXIYRRRIFU-ZDUSSCGKSA-N 1 2 310.350 1.902 20 5 DDBDLO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC000933193868 714532973 /nfs/dbraw/zinc/53/29/73/714532973.db2.gz ZZXODXIYRRRIFU-ZDUSSCGKSA-N 1 2 310.350 1.902 20 5 DDBDLO Cc1c(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC001168348523 742210397 /nfs/dbraw/zinc/21/03/97/742210397.db2.gz DHQMHYAMIGXMRO-LBPRGKRZSA-N 1 2 318.333 1.029 20 5 DDBDLO COc1cnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc1[N+](=O)[O-] ZINC001168368419 743368618 /nfs/dbraw/zinc/36/86/18/743368618.db2.gz NJJSLKIAAKRJBF-SNVBAGLBSA-N 1 2 308.338 1.274 20 5 DDBDLO COc1cnc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc1[N+](=O)[O-] ZINC001168368419 743368625 /nfs/dbraw/zinc/36/86/25/743368625.db2.gz NJJSLKIAAKRJBF-SNVBAGLBSA-N 1 2 308.338 1.274 20 5 DDBDLO C[C@@H](O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168982057 762150656 /nfs/dbraw/zinc/15/06/56/762150656.db2.gz ICHDQWHPYQNQFB-RHYQMDGZSA-N 1 2 302.371 1.113 20 5 DDBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1N)n1cc[nH+]c1 ZINC001149212960 861489516 /nfs/dbraw/zinc/48/95/16/861489516.db2.gz GPCTVZKUSJKJFO-UHFFFAOYSA-N 1 2 303.322 1.539 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001155194093 861820547 /nfs/dbraw/zinc/82/05/47/861820547.db2.gz ODPRBDKJMOMWPH-LURJTMIESA-N 1 2 322.152 1.434 20 5 DDBDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001155194093 861820562 /nfs/dbraw/zinc/82/05/62/861820562.db2.gz ODPRBDKJMOMWPH-LURJTMIESA-N 1 2 322.152 1.434 20 5 DDBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[NH+]3CCN2CC3)c2ccccc21 ZINC001331143083 864896539 /nfs/dbraw/zinc/89/65/39/864896539.db2.gz ATLYNRWPYISQJG-LBPRGKRZSA-N 1 2 313.361 1.555 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1(O)CCOCC1)C2 ZINC001333020105 866345712 /nfs/dbraw/zinc/34/57/12/866345712.db2.gz VZHWTGZVFSFECG-OAHLLOKOSA-N 1 2 322.361 1.203 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1(O)CCOCC1)C2 ZINC001333020105 866345721 /nfs/dbraw/zinc/34/57/21/866345721.db2.gz VZHWTGZVFSFECG-OAHLLOKOSA-N 1 2 322.361 1.203 20 5 DDBDLO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001324160122 867112752 /nfs/dbraw/zinc/11/27/52/867112752.db2.gz SRPMSMZYLKDAGV-QWHCGFSZSA-N 1 2 307.350 1.903 20 5 DDBDLO COc1ncnc(NCc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC001163139088 868149863 /nfs/dbraw/zinc/14/98/63/868149863.db2.gz ICFJSXZYGVPENI-UHFFFAOYSA-N 1 2 300.278 1.653 20 5 DDBDLO CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001301548474 871000647 /nfs/dbraw/zinc/00/06/47/871000647.db2.gz TWNYQRODTUCYMQ-UHFFFAOYSA-N 1 2 304.306 1.662 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC001306954033 871384004 /nfs/dbraw/zinc/38/40/04/871384004.db2.gz SFJBADSNFNYRPD-UHFFFAOYSA-N 1 2 317.349 1.356 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001350524872 875743463 /nfs/dbraw/zinc/74/34/63/875743463.db2.gz OPRLSJFEQPAQOM-UHFFFAOYSA-N 1 2 320.324 1.759 20 5 DDBDLO COc1cc(CC[N+](=O)[O-])ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001233985824 887525788 /nfs/dbraw/zinc/52/57/88/887525788.db2.gz DTUBFKHIQWENKB-ZDUSSCGKSA-N 1 2 310.350 1.224 20 5 DDBDLO COc1cc(CC[N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001233985824 887525801 /nfs/dbraw/zinc/52/58/01/887525801.db2.gz DTUBFKHIQWENKB-ZDUSSCGKSA-N 1 2 310.350 1.224 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000451928220 231236770 /nfs/dbraw/zinc/23/67/70/231236770.db2.gz LXQLGHOZGFWKCI-JTQLQIEISA-N 1 2 324.362 1.851 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1C ZINC000088759655 185264598 /nfs/dbraw/zinc/26/45/98/185264598.db2.gz MXFRSTUMLHNRPZ-UHFFFAOYSA-N 1 2 310.335 1.413 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1C ZINC000088759655 185264599 /nfs/dbraw/zinc/26/45/99/185264599.db2.gz MXFRSTUMLHNRPZ-UHFFFAOYSA-N 1 2 310.335 1.413 20 5 DDBDLO CC[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000294453397 529707900 /nfs/dbraw/zinc/70/79/00/529707900.db2.gz ZTWGTYCRSCSJEM-NSHDSACASA-N 1 2 304.306 1.281 20 5 DDBDLO COc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272797457 210199638 /nfs/dbraw/zinc/19/96/38/210199638.db2.gz GZIJXUTYZAWDDX-UHFFFAOYSA-N 1 2 324.337 1.057 20 5 DDBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000181888060 186215394 /nfs/dbraw/zinc/21/53/94/186215394.db2.gz GASUCILPPNZIHI-UHFFFAOYSA-N 1 2 316.379 1.071 20 5 DDBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000181888060 186215395 /nfs/dbraw/zinc/21/53/95/186215395.db2.gz GASUCILPPNZIHI-UHFFFAOYSA-N 1 2 316.379 1.071 20 5 DDBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000047911133 352515426 /nfs/dbraw/zinc/51/54/26/352515426.db2.gz CJTXLCOTGSFQEM-UHFFFAOYSA-N 1 2 318.377 1.339 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC)CC1 ZINC000053897231 352671343 /nfs/dbraw/zinc/67/13/43/352671343.db2.gz DZUOCLZGERTGPN-UHFFFAOYSA-N 1 2 323.349 1.653 20 5 DDBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000053633420 352663048 /nfs/dbraw/zinc/66/30/48/352663048.db2.gz SIOKPAYNGBGVEA-ZIAGYGMSSA-N 1 2 318.377 1.743 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000173556585 198226171 /nfs/dbraw/zinc/22/61/71/198226171.db2.gz RKDQUMMMGCEMOB-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075748246 353379152 /nfs/dbraw/zinc/37/91/52/353379152.db2.gz XYVNKRXNUZQETD-WCQYABFASA-N 1 2 307.350 1.493 20 5 DDBDLO CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075748246 353379153 /nfs/dbraw/zinc/37/91/53/353379153.db2.gz XYVNKRXNUZQETD-WCQYABFASA-N 1 2 307.350 1.493 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000080535735 353613772 /nfs/dbraw/zinc/61/37/72/353613772.db2.gz PWLMAXYJYKRTTL-UHFFFAOYSA-N 1 2 320.393 1.550 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000290259226 354442550 /nfs/dbraw/zinc/44/25/50/354442550.db2.gz SJOVIBYOQOXZKS-UHFFFAOYSA-N 1 2 310.335 1.115 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587044970 354879359 /nfs/dbraw/zinc/87/93/59/354879359.db2.gz DSGZPZOCWPVDCM-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587057319 354879860 /nfs/dbraw/zinc/87/98/60/354879860.db2.gz UGWHVXHTZOBJIP-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589689406 355012196 /nfs/dbraw/zinc/01/21/96/355012196.db2.gz SSOYTSPRHCVCCG-GFCCVEGCSA-N 1 2 309.341 1.953 20 5 DDBDLO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000494814498 235093229 /nfs/dbraw/zinc/09/32/29/235093229.db2.gz VUVAZHUXHPINKQ-GFCCVEGCSA-N 1 2 310.741 1.805 20 5 DDBDLO COC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130679 355507780 /nfs/dbraw/zinc/50/77/80/355507780.db2.gz IKPWYSSTPLHZPY-HDJSIYSDSA-N 1 2 322.361 1.873 20 5 DDBDLO COC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130679 355507783 /nfs/dbraw/zinc/50/77/83/355507783.db2.gz IKPWYSSTPLHZPY-HDJSIYSDSA-N 1 2 322.361 1.873 20 5 DDBDLO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC000593118493 355805232 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DDBDLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491465558 534787292 /nfs/dbraw/zinc/78/72/92/534787292.db2.gz RRRCYABJKVQXFZ-HYXAFXHYSA-N 1 2 304.281 1.797 20 5 DDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000151267531 696882649 /nfs/dbraw/zinc/88/26/49/696882649.db2.gz BZNLQERDYTZENZ-HNNXBMFYSA-N 1 2 319.317 1.573 20 5 DDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000151267531 696882652 /nfs/dbraw/zinc/88/26/52/696882652.db2.gz BZNLQERDYTZENZ-HNNXBMFYSA-N 1 2 319.317 1.573 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000776278515 698091442 /nfs/dbraw/zinc/09/14/42/698091442.db2.gz UBSKGYJPAALBID-OAGGEKHMSA-N 1 2 322.361 1.508 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000776278515 698091444 /nfs/dbraw/zinc/09/14/44/698091444.db2.gz UBSKGYJPAALBID-OAGGEKHMSA-N 1 2 322.361 1.508 20 5 DDBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000787263314 699200441 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321.333 1.817 20 5 DDBDLO CO[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000840124104 701982704 /nfs/dbraw/zinc/98/27/04/701982704.db2.gz NPFFXPQUXURAPG-ZYHUDNBSSA-N 1 2 321.333 1.817 20 5 DDBDLO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000817278439 702325225 /nfs/dbraw/zinc/32/52/25/702325225.db2.gz BDPZALRSJGOPLX-UONOGXRCSA-N 1 2 310.350 1.100 20 5 DDBDLO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000817278439 702325231 /nfs/dbraw/zinc/32/52/31/702325231.db2.gz BDPZALRSJGOPLX-UONOGXRCSA-N 1 2 310.350 1.100 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000817367302 702354173 /nfs/dbraw/zinc/35/41/73/702354173.db2.gz GWRPTZPGZUKMNF-GFCCVEGCSA-N 1 2 317.349 1.421 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000817367302 702354176 /nfs/dbraw/zinc/35/41/76/702354176.db2.gz GWRPTZPGZUKMNF-GFCCVEGCSA-N 1 2 317.349 1.421 20 5 DDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842623049 702744168 /nfs/dbraw/zinc/74/41/68/702744168.db2.gz REMWNNPUNRCWNH-MFKMUULPSA-N 1 2 319.317 1.571 20 5 DDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842623049 702744170 /nfs/dbraw/zinc/74/41/70/702744170.db2.gz REMWNNPUNRCWNH-MFKMUULPSA-N 1 2 319.317 1.571 20 5 DDBDLO CCN(OC)C(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842768333 702770357 /nfs/dbraw/zinc/77/03/57/702770357.db2.gz NHLZCJUBTLLSSX-UHFFFAOYSA-N 1 2 301.730 1.748 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3c[nH]nn3)CC2)cc1 ZINC000821343760 704394366 /nfs/dbraw/zinc/39/43/66/704394366.db2.gz ZTKVARFNSUOSAN-UHFFFAOYSA-N 1 2 302.338 1.078 20 5 DDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000874700197 705133578 /nfs/dbraw/zinc/13/35/78/705133578.db2.gz NZNRILYJXYOLQA-LBPRGKRZSA-N 1 2 322.365 1.139 20 5 DDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000874700197 705133584 /nfs/dbraw/zinc/13/35/84/705133584.db2.gz NZNRILYJXYOLQA-LBPRGKRZSA-N 1 2 322.365 1.139 20 5 DDBDLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000874829596 705188209 /nfs/dbraw/zinc/18/82/09/705188209.db2.gz MPNFDKCGXGVBQX-UONOGXRCSA-N 1 2 305.334 1.609 20 5 DDBDLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000874829596 705188210 /nfs/dbraw/zinc/18/82/10/705188210.db2.gz MPNFDKCGXGVBQX-UONOGXRCSA-N 1 2 305.334 1.609 20 5 DDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000862105672 705653407 /nfs/dbraw/zinc/65/34/07/705653407.db2.gz RIZMRBFUZSHDOG-UHFFFAOYSA-N 1 2 323.324 1.327 20 5 DDBDLO Cc1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000825640661 705706981 /nfs/dbraw/zinc/70/69/81/705706981.db2.gz IUDQSOZVQGPXDG-NSCUHMNNSA-N 1 2 319.361 1.408 20 5 DDBDLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072179 707287877 /nfs/dbraw/zinc/28/78/77/707287877.db2.gz AYIKATQMXASDSJ-VIFPVBQESA-N 1 2 319.358 1.276 20 5 DDBDLO C/C(=C/C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000899912034 709235629 /nfs/dbraw/zinc/23/56/29/709235629.db2.gz ZPRAFKARJTZKED-XFXZXTDPSA-N 1 2 305.334 1.812 20 5 DDBDLO O=c1[nH]ccc(N2CC[NH+](Cc3cncs3)CC2)c1[N+](=O)[O-] ZINC000894856104 711297752 /nfs/dbraw/zinc/29/77/52/711297752.db2.gz PYIMSWAMSMHTKC-UHFFFAOYSA-N 1 2 321.362 1.474 20 5 DDBDLO CCOC(=O)c1sc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)nc1C ZINC000931688577 714160883 /nfs/dbraw/zinc/16/08/83/714160883.db2.gz MZOBMEADKGSDIK-JTQLQIEISA-N 1 2 313.379 1.694 20 5 DDBDLO CCOC(=O)c1sc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)nc1C ZINC000931688577 714160885 /nfs/dbraw/zinc/16/08/85/714160885.db2.gz MZOBMEADKGSDIK-JTQLQIEISA-N 1 2 313.379 1.694 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCn2cccc2C1 ZINC000932525108 714355007 /nfs/dbraw/zinc/35/50/07/714355007.db2.gz CMAAKZGZWVHKIG-AWEZNQCLSA-N 1 2 317.345 1.652 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCn2cccc2C1 ZINC000932525108 714355010 /nfs/dbraw/zinc/35/50/10/714355010.db2.gz CMAAKZGZWVHKIG-AWEZNQCLSA-N 1 2 317.345 1.652 20 5 DDBDLO CCc1ccccc1C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042705636 764372745 /nfs/dbraw/zinc/37/27/45/764372745.db2.gz VTGADPUZEQQEGJ-HZPDHXFCSA-N 1 2 317.389 1.557 20 5 DDBDLO COc1ccc(C[C@@H](C)[NH+]2CC(N(C)C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170348548 766279024 /nfs/dbraw/zinc/27/90/24/766279024.db2.gz YGVDQPBVDOZQAG-LLVKDONJSA-N 1 2 321.377 1.697 20 5 DDBDLO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC001175323811 777750954 /nfs/dbraw/zinc/75/09/54/777750954.db2.gz PZWLVHKRCXHPSR-MRXNPFEDSA-N 1 2 316.361 1.999 20 5 DDBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC001119967052 781700645 /nfs/dbraw/zinc/70/06/45/781700645.db2.gz WLUSVTJKHJNQBC-UHFFFAOYSA-N 1 2 318.308 1.905 20 5 DDBDLO CCN(CC[NH2+]Cc1ncc(C)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450511 840212352 /nfs/dbraw/zinc/21/23/52/840212352.db2.gz WSNHADMNMFIELI-GHMZBOCLSA-N 1 2 312.395 1.055 20 5 DDBDLO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001155196524 861826887 /nfs/dbraw/zinc/82/68/87/861826887.db2.gz NQRPJIISBZYZMN-SECBINFHSA-N 1 2 300.746 1.694 20 5 DDBDLO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001155196524 861826895 /nfs/dbraw/zinc/82/68/95/861826895.db2.gz NQRPJIISBZYZMN-SECBINFHSA-N 1 2 300.746 1.694 20 5 DDBDLO CCc1cnc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001327213361 861969065 /nfs/dbraw/zinc/96/90/65/861969065.db2.gz QITKJJLQLMUUGS-CHWSQXEVSA-N 1 2 324.381 1.183 20 5 DDBDLO CCc1cnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001327213361 861969072 /nfs/dbraw/zinc/96/90/72/861969072.db2.gz QITKJJLQLMUUGS-CHWSQXEVSA-N 1 2 324.381 1.183 20 5 DDBDLO C[C@H]1[C@@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001158184269 864474372 /nfs/dbraw/zinc/47/43/72/864474372.db2.gz SQVACBONCBBNSX-HZMBPMFUSA-N 1 2 316.317 1.376 20 5 DDBDLO COc1ncnc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001160725769 866078576 /nfs/dbraw/zinc/07/85/76/866078576.db2.gz PWVWBKLKHICMHX-QWRGUYRKSA-N 1 2 323.353 1.059 20 5 DDBDLO COc1nc(NC2CN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001161319479 866524630 /nfs/dbraw/zinc/52/46/30/866524630.db2.gz UALYFODGKLIVKF-UHFFFAOYSA-N 1 2 301.306 1.694 20 5 DDBDLO Cc1nn(C)c(NCCCN(C)c2cccc[nH+]2)c1[N+](=O)[O-] ZINC001163995861 868861198 /nfs/dbraw/zinc/86/11/98/868861198.db2.gz ACBKMXAZESXGPF-UHFFFAOYSA-N 1 2 304.354 1.970 20 5 DDBDLO C[NH+](C)Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)co1 ZINC001304117566 871191140 /nfs/dbraw/zinc/19/11/40/871191140.db2.gz TYSFSOKAOHKGRS-UHFFFAOYSA-N 1 2 322.296 1.714 20 5 DDBDLO O=C(NCc1ncccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001288502256 912936136 /nfs/dbraw/zinc/93/61/36/912936136.db2.gz FVKOZKYHFPNMSS-UHFFFAOYSA-N 1 2 324.300 1.501 20 5 DDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001254563471 896501002 /nfs/dbraw/zinc/50/10/02/896501002.db2.gz WVIWBXLZRWLGTB-YPMHNXCESA-N 1 2 312.391 1.645 20 5 DDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001254563471 896501011 /nfs/dbraw/zinc/50/10/11/896501011.db2.gz WVIWBXLZRWLGTB-YPMHNXCESA-N 1 2 312.391 1.645 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000248664608 282097638 /nfs/dbraw/zinc/09/76/38/282097638.db2.gz KIPSTGBOBIIYBE-YPMHNXCESA-N 1 2 323.397 1.277 20 5 DDBDLO COC(=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000090552448 185302671 /nfs/dbraw/zinc/30/26/71/185302671.db2.gz DPQLXNJRLQQWHS-UHFFFAOYSA-N 1 2 323.349 1.174 20 5 DDBDLO COC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000090552448 185302672 /nfs/dbraw/zinc/30/26/72/185302672.db2.gz DPQLXNJRLQQWHS-UHFFFAOYSA-N 1 2 323.349 1.174 20 5 DDBDLO COC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 ZINC000342302072 282545725 /nfs/dbraw/zinc/54/57/25/282545725.db2.gz OAOBIIXHSJNPJI-LBPRGKRZSA-N 1 2 308.313 1.945 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000331373619 233214685 /nfs/dbraw/zinc/21/46/85/233214685.db2.gz CFZJXYSVLNHHGG-SECBINFHSA-N 1 2 304.310 1.512 20 5 DDBDLO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277205829 213365984 /nfs/dbraw/zinc/36/59/84/213365984.db2.gz MXLIMFXCUATCND-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277205829 213365987 /nfs/dbraw/zinc/36/59/87/213365987.db2.gz MXLIMFXCUATCND-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000051766447 352593194 /nfs/dbraw/zinc/59/31/94/352593194.db2.gz ISJFUSWJQPHYSM-UHFFFAOYSA-N 1 2 306.366 1.161 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065858182 352966261 /nfs/dbraw/zinc/96/62/61/352966261.db2.gz SICKZHREJMZOHK-UHFFFAOYSA-N 1 2 303.322 1.399 20 5 DDBDLO Cc1nn(C)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000331942560 234303022 /nfs/dbraw/zinc/30/30/22/234303022.db2.gz PKORGACTCGYWAO-UHFFFAOYSA-N 1 2 318.337 1.380 20 5 DDBDLO Cc1nn(C)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000331942560 234303024 /nfs/dbraw/zinc/30/30/24/234303024.db2.gz PKORGACTCGYWAO-UHFFFAOYSA-N 1 2 318.337 1.380 20 5 DDBDLO Nc1c(C(=O)NCCCCn2cc[nH+]c2)cc(F)cc1[N+](=O)[O-] ZINC000076965011 353445869 /nfs/dbraw/zinc/44/58/69/353445869.db2.gz GTHAFDJRNASTGO-UHFFFAOYSA-N 1 2 321.312 1.723 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000587051298 354879366 /nfs/dbraw/zinc/87/93/66/354879366.db2.gz KLMPHOQSVGXWQM-LBPRGKRZSA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601312859 358490939 /nfs/dbraw/zinc/49/09/39/358490939.db2.gz MWNMTWALKVXKEF-VIFPVBQESA-N 1 2 319.408 1.337 20 5 DDBDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601312859 358490944 /nfs/dbraw/zinc/49/09/44/358490944.db2.gz MWNMTWALKVXKEF-VIFPVBQESA-N 1 2 319.408 1.337 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590379500 355079104 /nfs/dbraw/zinc/07/91/04/355079104.db2.gz UUXNPSGJLRYZKR-UHFFFAOYSA-N 1 2 300.318 1.835 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590379500 355079105 /nfs/dbraw/zinc/07/91/05/355079105.db2.gz UUXNPSGJLRYZKR-UHFFFAOYSA-N 1 2 300.318 1.835 20 5 DDBDLO C[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1n1cc[nH+]c1 ZINC000590584694 355120753 /nfs/dbraw/zinc/12/07/53/355120753.db2.gz ACBAUBCIFQCHMJ-ZYHUDNBSSA-N 1 2 302.338 1.856 20 5 DDBDLO CN(CCc1ccccc1[N+](=O)[O-])c1nc[nH+]c2c1OCCN2 ZINC000591160401 355257900 /nfs/dbraw/zinc/25/79/00/355257900.db2.gz LMINPTJEYKATTN-UHFFFAOYSA-N 1 2 315.333 1.868 20 5 DDBDLO CN(CCc1ccccc1[N+](=O)[O-])c1[nH+]cnc2c1OCCN2 ZINC000591160401 355257902 /nfs/dbraw/zinc/25/79/02/355257902.db2.gz LMINPTJEYKATTN-UHFFFAOYSA-N 1 2 315.333 1.868 20 5 DDBDLO Cc1nn(C)c(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594591216 356258437 /nfs/dbraw/zinc/25/84/37/356258437.db2.gz IBHMZRGCXNYTHM-GARJFASQSA-N 1 2 311.386 1.546 20 5 DDBDLO Cc1nn(C)c(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594591216 356258440 /nfs/dbraw/zinc/25/84/40/356258440.db2.gz IBHMZRGCXNYTHM-GARJFASQSA-N 1 2 311.386 1.546 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnccn1 ZINC000080965241 192205953 /nfs/dbraw/zinc/20/59/53/192205953.db2.gz PZTDIGFLCSFDKQ-NSHDSACASA-N 1 2 315.333 1.844 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnccn1 ZINC000080965241 192205956 /nfs/dbraw/zinc/20/59/56/192205956.db2.gz PZTDIGFLCSFDKQ-NSHDSACASA-N 1 2 315.333 1.844 20 5 DDBDLO COCc1n[nH]c(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000594969176 356365577 /nfs/dbraw/zinc/36/55/77/356365577.db2.gz NTLGSJXBAYTWBM-XQRVVYSFSA-N 1 2 303.322 1.662 20 5 DDBDLO COCc1nnc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000594969176 356365582 /nfs/dbraw/zinc/36/55/82/356365582.db2.gz NTLGSJXBAYTWBM-XQRVVYSFSA-N 1 2 303.322 1.662 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+]C/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595068612 356377819 /nfs/dbraw/zinc/37/78/19/356377819.db2.gz JYUURBACZJMCSL-HSWBROFVSA-N 1 2 302.334 1.556 20 5 DDBDLO Cn1c[nH+]c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000595524657 356532581 /nfs/dbraw/zinc/53/25/81/356532581.db2.gz ZTGQAJMNPGNYAH-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000184563980 199732324 /nfs/dbraw/zinc/73/23/24/199732324.db2.gz STHOKEDUMKPIDU-GFCCVEGCSA-N 1 2 319.317 1.764 20 5 DDBDLO C[C@@H](O)C[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596111008 356776138 /nfs/dbraw/zinc/77/61/38/356776138.db2.gz ULPJJSWRUIPZKW-SECBINFHSA-N 1 2 300.746 1.146 20 5 DDBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)CO1 ZINC000596434052 356879794 /nfs/dbraw/zinc/87/97/94/356879794.db2.gz WYKMMZXNBIXGFM-UWVGGRQHSA-N 1 2 312.345 1.837 20 5 DDBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)CO1 ZINC000596434052 356879797 /nfs/dbraw/zinc/87/97/97/356879797.db2.gz WYKMMZXNBIXGFM-UWVGGRQHSA-N 1 2 312.345 1.837 20 5 DDBDLO CO[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1OC ZINC000276853874 213135512 /nfs/dbraw/zinc/13/55/12/213135512.db2.gz JHXYASNJHGVASL-BETUJISGSA-N 1 2 307.306 1.582 20 5 DDBDLO CO[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1OC ZINC000276853874 213135514 /nfs/dbraw/zinc/13/55/14/213135514.db2.gz JHXYASNJHGVASL-BETUJISGSA-N 1 2 307.306 1.582 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597577957 357235526 /nfs/dbraw/zinc/23/55/26/357235526.db2.gz IIXSAXKLQFIWDN-GXTWGEPZSA-N 1 2 323.324 1.559 20 5 DDBDLO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000597714885 357298756 /nfs/dbraw/zinc/29/87/56/357298756.db2.gz KZXDADUKNYZZNT-INIZCTEOSA-N 1 2 319.361 1.858 20 5 DDBDLO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000597714885 357298757 /nfs/dbraw/zinc/29/87/57/357298757.db2.gz KZXDADUKNYZZNT-INIZCTEOSA-N 1 2 319.361 1.858 20 5 DDBDLO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597792849 357331396 /nfs/dbraw/zinc/33/13/96/357331396.db2.gz BPAHLLCWJBFZRN-NSHDSACASA-N 1 2 323.349 1.141 20 5 DDBDLO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597792849 357331397 /nfs/dbraw/zinc/33/13/97/357331397.db2.gz BPAHLLCWJBFZRN-NSHDSACASA-N 1 2 323.349 1.141 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597995009 357410301 /nfs/dbraw/zinc/41/03/01/357410301.db2.gz DDFOWIOTHOSNJG-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597995009 357410304 /nfs/dbraw/zinc/41/03/04/357410304.db2.gz DDFOWIOTHOSNJG-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1nn(C)c(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000276778764 213104023 /nfs/dbraw/zinc/10/40/23/213104023.db2.gz ZAGWYHRSVGAHKM-SECBINFHSA-N 1 2 306.326 1.487 20 5 DDBDLO CN(C[C@@H]1COCCO1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599106204 357817592 /nfs/dbraw/zinc/81/75/92/357817592.db2.gz AZIQQWYEYPCJHJ-GFCCVEGCSA-N 1 2 303.318 1.995 20 5 DDBDLO Cn1cc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602715505 359143776 /nfs/dbraw/zinc/14/37/76/359143776.db2.gz NVCJABUQRZBMMC-UHFFFAOYSA-N 1 2 318.381 1.646 20 5 DDBDLO Cn1cc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602715505 359143781 /nfs/dbraw/zinc/14/37/81/359143781.db2.gz NVCJABUQRZBMMC-UHFFFAOYSA-N 1 2 318.381 1.646 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000602857697 359243775 /nfs/dbraw/zinc/24/37/75/359243775.db2.gz XXNDYVGQHFJHTO-GMTAPVOTSA-N 1 2 309.370 1.039 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000602857697 359243779 /nfs/dbraw/zinc/24/37/79/359243779.db2.gz XXNDYVGQHFJHTO-GMTAPVOTSA-N 1 2 309.370 1.039 20 5 DDBDLO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000602866212 359250030 /nfs/dbraw/zinc/25/00/30/359250030.db2.gz NJJKSQKVQDDNGH-UHFFFAOYSA-N 1 2 316.365 1.073 20 5 DDBDLO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000602866212 359250033 /nfs/dbraw/zinc/25/00/33/359250033.db2.gz NJJKSQKVQDDNGH-UHFFFAOYSA-N 1 2 316.365 1.073 20 5 DDBDLO COC(=O)[C@H]1CCCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602807195 359204563 /nfs/dbraw/zinc/20/45/63/359204563.db2.gz QWBWJHTVOGVPSY-GFCCVEGCSA-N 1 2 310.354 1.517 20 5 DDBDLO COC(=O)[C@H]1CCCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602807195 359204569 /nfs/dbraw/zinc/20/45/69/359204569.db2.gz QWBWJHTVOGVPSY-GFCCVEGCSA-N 1 2 310.354 1.517 20 5 DDBDLO O=[N+]([O-])c1cccc(Cn2cc(C[NH+]3CCSCC3)nn2)c1 ZINC000603165653 359449827 /nfs/dbraw/zinc/44/98/27/359449827.db2.gz ZGVIDQGIVXRVAV-UHFFFAOYSA-N 1 2 319.390 1.783 20 5 DDBDLO Cc1sc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000186808605 200013936 /nfs/dbraw/zinc/01/39/36/200013936.db2.gz BYIGUGXRAAFIRF-SECBINFHSA-N 1 2 313.379 1.103 20 5 DDBDLO Cn1c[nH+]cc1CCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000281068637 216058107 /nfs/dbraw/zinc/05/81/07/216058107.db2.gz DEKCBNJINOWYPT-UHFFFAOYSA-N 1 2 302.334 1.620 20 5 DDBDLO CO[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189137867 200354582 /nfs/dbraw/zinc/35/45/82/200354582.db2.gz FKUMVJAEEFAXOM-JTQLQIEISA-N 1 2 304.306 1.545 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000192742920 200932679 /nfs/dbraw/zinc/93/26/79/200932679.db2.gz GGWSUHMHEDDUQZ-UHFFFAOYSA-N 1 2 307.350 1.307 20 5 DDBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350150690 284158913 /nfs/dbraw/zinc/15/89/13/284158913.db2.gz CRGGEQQOLYHTCG-CQSZACIVSA-N 1 2 318.333 1.637 20 5 DDBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350150690 284158914 /nfs/dbraw/zinc/15/89/14/284158914.db2.gz CRGGEQQOLYHTCG-CQSZACIVSA-N 1 2 318.333 1.637 20 5 DDBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274050992 296152344 /nfs/dbraw/zinc/15/23/44/296152344.db2.gz PIMYPYZYQUUUGH-VHSXEESVSA-N 1 2 318.337 1.401 20 5 DDBDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000264943229 204290577 /nfs/dbraw/zinc/29/05/77/204290577.db2.gz IWFBIGHNNZLJIW-WDEREUQCSA-N 1 2 300.380 1.848 20 5 DDBDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000264943229 204290581 /nfs/dbraw/zinc/29/05/81/204290581.db2.gz IWFBIGHNNZLJIW-WDEREUQCSA-N 1 2 300.380 1.848 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000338538113 250018007 /nfs/dbraw/zinc/01/80/07/250018007.db2.gz RCWOAZVPIKMHBF-UHFFFAOYSA-N 1 2 304.306 1.989 20 5 DDBDLO Cn1c[nH+]cc1CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000339092061 250290072 /nfs/dbraw/zinc/29/00/72/250290072.db2.gz TZWXXKXXSRXWKA-UHFFFAOYSA-N 1 2 317.349 1.489 20 5 DDBDLO COC(=O)C[C@@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000339094112 250290429 /nfs/dbraw/zinc/29/04/29/250290429.db2.gz LLOQUIYLSABWNU-AWEZNQCLSA-N 1 2 310.306 1.112 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000110924307 194370653 /nfs/dbraw/zinc/37/06/53/194370653.db2.gz XBCWWJHQUXRJOI-UHFFFAOYSA-N 1 2 321.377 1.698 20 5 DDBDLO Cc1cc(NCc2n[nH]c(=O)[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340812407 251223952 /nfs/dbraw/zinc/22/39/52/251223952.db2.gz DIZHVRYJDKLOTC-UHFFFAOYSA-N 1 2 300.278 1.309 20 5 DDBDLO C[C@@H](O)CNc1cc(NCCc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000294514754 224065130 /nfs/dbraw/zinc/06/51/30/224065130.db2.gz UFTXXWYASCPLTL-LLVKDONJSA-N 1 2 317.349 1.832 20 5 DDBDLO C[C@@H](O)CNc1cc(NCCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000294514754 224065132 /nfs/dbraw/zinc/06/51/32/224065132.db2.gz UFTXXWYASCPLTL-LLVKDONJSA-N 1 2 317.349 1.832 20 5 DDBDLO CCc1c[nH+]ccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352432658 285047245 /nfs/dbraw/zinc/04/72/45/285047245.db2.gz UXOGBPGNPKBVSS-UHFFFAOYSA-N 1 2 315.285 1.955 20 5 DDBDLO C[N@H+](CCN1CCNC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289677440 221148578 /nfs/dbraw/zinc/14/85/78/221148578.db2.gz DMIMBGQFBGEXAQ-UHFFFAOYSA-N 1 2 312.757 1.705 20 5 DDBDLO C[N@@H+](CCN1CCNC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289677440 221148581 /nfs/dbraw/zinc/14/85/81/221148581.db2.gz DMIMBGQFBGEXAQ-UHFFFAOYSA-N 1 2 312.757 1.705 20 5 DDBDLO CC(C)OCc1nc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)no1 ZINC000289984475 221360356 /nfs/dbraw/zinc/36/03/56/221360356.db2.gz RYOUKEIKVQEMHV-JTQLQIEISA-N 1 2 324.341 1.450 20 5 DDBDLO Cc1c(C(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000076195461 406958623 /nfs/dbraw/zinc/95/86/23/406958623.db2.gz AKYXPKPVTUWAAQ-UHFFFAOYSA-N 1 2 322.321 1.507 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124668622 407365423 /nfs/dbraw/zinc/36/54/23/407365423.db2.gz QCUAZKIQTZGIAJ-UHFFFAOYSA-N 1 2 304.310 1.740 20 5 DDBDLO COCC(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000254884929 407466823 /nfs/dbraw/zinc/46/68/23/407466823.db2.gz GFBFVCPFIAMMCS-XQRVVYSFSA-N 1 2 319.361 1.399 20 5 DDBDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170769540 407497182 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357418196 /nfs/dbraw/zinc/41/81/96/357418196.db2.gz YIHXXVZPNQWMNJ-QWRGUYRKSA-N 1 2 322.365 1.137 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000598001267 357418199 /nfs/dbraw/zinc/41/81/99/357418199.db2.gz YIHXXVZPNQWMNJ-QWRGUYRKSA-N 1 2 322.365 1.137 20 5 DDBDLO C[C@@H](Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000598627403 357660735 /nfs/dbraw/zinc/66/07/35/357660735.db2.gz ONTCKHNMLZDGAU-SECBINFHSA-N 1 2 319.325 1.118 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598651732 357671262 /nfs/dbraw/zinc/67/12/62/357671262.db2.gz VIQJFMACWZHZMK-AAEUAGOBSA-N 1 2 321.377 1.792 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598651732 357671268 /nfs/dbraw/zinc/67/12/68/357671268.db2.gz VIQJFMACWZHZMK-AAEUAGOBSA-N 1 2 321.377 1.792 20 5 DDBDLO CCOc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598942549 357767790 /nfs/dbraw/zinc/76/77/90/357767790.db2.gz MDPDNWGMXPZXGR-NSHDSACASA-N 1 2 316.317 1.545 20 5 DDBDLO CNc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598945650 357769578 /nfs/dbraw/zinc/76/95/78/357769578.db2.gz AHZYCUJVMVXIGD-NSHDSACASA-N 1 2 315.333 1.578 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@](O)(CO)C1 ZINC000599087501 357811393 /nfs/dbraw/zinc/81/13/93/357811393.db2.gz IFUSDXBYOCGOMM-HNNXBMFYSA-N 1 2 303.318 1.467 20 5 DDBDLO COC(=O)c1cc(NC[C@H]2COCC[N@@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000599161962 357834670 /nfs/dbraw/zinc/83/46/70/357834670.db2.gz ZHJMYRHPCXKHMP-LBPRGKRZSA-N 1 2 323.349 1.432 20 5 DDBDLO COC(=O)c1cc(NC[C@H]2COCC[N@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000599161962 357834673 /nfs/dbraw/zinc/83/46/73/357834673.db2.gz ZHJMYRHPCXKHMP-LBPRGKRZSA-N 1 2 323.349 1.432 20 5 DDBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 ZINC000599189197 357844083 /nfs/dbraw/zinc/84/40/83/357844083.db2.gz MXMSCDWTDBOLBM-CYBMUJFWSA-N 1 2 314.345 1.979 20 5 DDBDLO CC[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1[nH]cc[nH+]1 ZINC000347980150 283315044 /nfs/dbraw/zinc/31/50/44/283315044.db2.gz GENWGGUAXZIWFG-NSHDSACASA-N 1 2 320.353 1.789 20 5 DDBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599688972 358025910 /nfs/dbraw/zinc/02/59/10/358025910.db2.gz GYQVKBAISPCEAG-CYBMUJFWSA-N 1 2 307.350 1.791 20 5 DDBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599688972 358025912 /nfs/dbraw/zinc/02/59/12/358025912.db2.gz GYQVKBAISPCEAG-CYBMUJFWSA-N 1 2 307.350 1.791 20 5 DDBDLO Cc1c[nH]c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]1 ZINC000600109578 358126073 /nfs/dbraw/zinc/12/60/73/358126073.db2.gz MOXHIKIEDXIVNM-UHFFFAOYSA-N 1 2 302.338 1.344 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000348113379 283375365 /nfs/dbraw/zinc/37/53/65/283375365.db2.gz RVHJWKDVLIIWPO-BXKDBHETSA-N 1 2 322.321 1.377 20 5 DDBDLO C[C@@](CO)([NH2+]Cc1cc2n(n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601148365 358422320 /nfs/dbraw/zinc/42/23/20/358422320.db2.gz AEUGJTGPVFFDSA-INIZCTEOSA-N 1 2 316.361 1.735 20 5 DDBDLO Cc1cc2[nH+]cn(C[C@H](O)Cn3ccnc3[N+](=O)[O-])c2cc1C ZINC000601962119 358755227 /nfs/dbraw/zinc/75/52/27/358755227.db2.gz CKFVZDNESQXSFG-GFCCVEGCSA-N 1 2 315.333 1.819 20 5 DDBDLO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000602174843 358864318 /nfs/dbraw/zinc/86/43/18/358864318.db2.gz VMPYNJGBEYUMQX-STQMWFEESA-N 1 2 307.350 1.759 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c([N+](=O)[O-])n1 ZINC000602433723 358973971 /nfs/dbraw/zinc/97/39/71/358973971.db2.gz BRVYRSZAHDQKAQ-UHFFFAOYSA-N 1 2 317.349 1.356 20 5 DDBDLO Cn1cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602645872 359095822 /nfs/dbraw/zinc/09/58/22/359095822.db2.gz UWTCOOSYCBJYGZ-CQSZACIVSA-N 1 2 310.354 1.098 20 5 DDBDLO Cn1cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602645872 359095826 /nfs/dbraw/zinc/09/58/26/359095826.db2.gz UWTCOOSYCBJYGZ-CQSZACIVSA-N 1 2 310.354 1.098 20 5 DDBDLO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602662640 359109350 /nfs/dbraw/zinc/10/93/50/359109350.db2.gz QINLDTMQXTUHHR-UWVGGRQHSA-N 1 2 322.287 1.321 20 5 DDBDLO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602662640 359109355 /nfs/dbraw/zinc/10/93/55/359109355.db2.gz QINLDTMQXTUHHR-UWVGGRQHSA-N 1 2 322.287 1.321 20 5 DDBDLO CCOC(=O)[C@@]1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602749932 359168242 /nfs/dbraw/zinc/16/82/42/359168242.db2.gz YQBONMPFXZGGIQ-MRXNPFEDSA-N 1 2 322.361 1.791 20 5 DDBDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602749932 359168245 /nfs/dbraw/zinc/16/82/45/359168245.db2.gz YQBONMPFXZGGIQ-MRXNPFEDSA-N 1 2 322.361 1.791 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3cccnc3[N+](=O)[O-])CC2)on1 ZINC000603845261 359686757 /nfs/dbraw/zinc/68/67/57/359686757.db2.gz ALCRKJAXBHCMJC-UHFFFAOYSA-N 1 2 303.322 1.608 20 5 DDBDLO CCn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604557776 359766524 /nfs/dbraw/zinc/76/65/24/359766524.db2.gz QNMSFBZAHZAQCO-UHFFFAOYSA-N 1 2 316.365 1.528 20 5 DDBDLO O=C(NCc1cocn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609343919 360299632 /nfs/dbraw/zinc/29/96/32/360299632.db2.gz SRFXUEYPBRZIFH-UHFFFAOYSA-N 1 2 313.273 1.699 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609136111 360263574 /nfs/dbraw/zinc/26/35/74/360263574.db2.gz RGGXTKUELFOETG-JTQLQIEISA-N 1 2 317.305 1.369 20 5 DDBDLO Cc1cc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193666592 201100111 /nfs/dbraw/zinc/10/01/11/201100111.db2.gz FIGPXLNUZRBQKC-GFCCVEGCSA-N 1 2 322.365 1.745 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000281568292 216390206 /nfs/dbraw/zinc/39/02/06/216390206.db2.gz MBQAELLSHICXHV-UHFFFAOYSA-N 1 2 304.306 1.712 20 5 DDBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375935798 307234128 /nfs/dbraw/zinc/23/41/28/307234128.db2.gz XHPZFPHBCCRMQH-QKVFXAPYSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375935798 307234129 /nfs/dbraw/zinc/23/41/29/307234129.db2.gz XHPZFPHBCCRMQH-QKVFXAPYSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCOCC1 ZINC000275351621 212286680 /nfs/dbraw/zinc/28/66/80/212286680.db2.gz JRQCNCCGGCRULZ-LLVKDONJSA-N 1 2 306.366 1.695 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266147550 205135439 /nfs/dbraw/zinc/13/54/39/205135439.db2.gz PZRAUUMJVYHYGC-UHFFFAOYSA-N 1 2 321.377 1.698 20 5 DDBDLO CN(CCC[NH+]1CCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351545067 284370858 /nfs/dbraw/zinc/37/08/58/284370858.db2.gz QQISVRYLYDVSGU-UHFFFAOYSA-N 1 2 307.350 1.858 20 5 DDBDLO CNc1c(C(=O)N2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000359482528 299454939 /nfs/dbraw/zinc/45/49/39/299454939.db2.gz ONTGDIIURSDJGN-UHFFFAOYSA-N 1 2 301.306 1.489 20 5 DDBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274033289 211292864 /nfs/dbraw/zinc/29/28/64/211292864.db2.gz NWRNUENELOBOJQ-VHSXEESVSA-N 1 2 318.337 1.401 20 5 DDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCn1cc[nH+]c1 ZINC000285033371 218264327 /nfs/dbraw/zinc/26/43/27/218264327.db2.gz KAQRVSJJRZIWFV-UHFFFAOYSA-N 1 2 317.349 1.675 20 5 DDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000065684660 184376389 /nfs/dbraw/zinc/37/63/89/184376389.db2.gz PKDNMZQSYANOSG-UHFFFAOYSA-N 1 2 313.379 1.093 20 5 DDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000112704467 285103920 /nfs/dbraw/zinc/10/39/20/285103920.db2.gz HPZHRNSPFLAEGF-NSHDSACASA-N 1 2 300.380 1.850 20 5 DDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000112704467 285103922 /nfs/dbraw/zinc/10/39/22/285103922.db2.gz HPZHRNSPFLAEGF-NSHDSACASA-N 1 2 300.380 1.850 20 5 DDBDLO CNC(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271574339 209024730 /nfs/dbraw/zinc/02/47/30/209024730.db2.gz CKBKMYZFQRRJNZ-JTQLQIEISA-N 1 2 303.322 1.652 20 5 DDBDLO CO[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000451760105 533480314 /nfs/dbraw/zinc/48/03/14/533480314.db2.gz LKWNXMLLFNQAJS-ZIAGYGMSSA-N 1 2 319.317 1.441 20 5 DDBDLO CO[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000451760105 533480322 /nfs/dbraw/zinc/48/03/22/533480322.db2.gz LKWNXMLLFNQAJS-ZIAGYGMSSA-N 1 2 319.317 1.441 20 5 DDBDLO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000075346685 406929889 /nfs/dbraw/zinc/92/98/89/406929889.db2.gz IPUFECWLXIWYLC-LBPRGKRZSA-N 1 2 307.350 1.857 20 5 DDBDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066496143 407252532 /nfs/dbraw/zinc/25/25/32/407252532.db2.gz CHLWOGPQUPQNEW-UHFFFAOYSA-N 1 2 323.349 1.773 20 5 DDBDLO CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055216230 407198372 /nfs/dbraw/zinc/19/83/72/407198372.db2.gz JZQYQGZYGOVEKS-UHFFFAOYSA-N 1 2 317.342 1.060 20 5 DDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000113003126 407458559 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Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000934271837 714782373 /nfs/dbraw/zinc/78/23/73/714782373.db2.gz HFENQDOAEIMLST-HZPDHXFCSA-N 1 2 319.405 1.934 20 5 DDBDLO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000934271837 714782374 /nfs/dbraw/zinc/78/23/74/714782374.db2.gz HFENQDOAEIMLST-HZPDHXFCSA-N 1 2 319.405 1.934 20 5 DDBDLO O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001059250504 740482044 /nfs/dbraw/zinc/48/20/44/740482044.db2.gz ZKXJLLNLASBPLC-JOCQHMNTSA-N 1 2 315.333 1.551 20 5 DDBDLO O=C(NCC1C[NH+](Cc2ccccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662096 747336264 /nfs/dbraw/zinc/33/62/64/747336264.db2.gz UTAOCKYEKZCSQO-TZMCWYRMSA-N 1 2 323.780 1.553 20 5 DDBDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984407 762152234 /nfs/dbraw/zinc/15/22/34/762152234.db2.gz MQNOQILCTQAHBG-QEJZJMRPSA-N 1 2 321.377 1.591 20 5 DDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3nc(C(F)(F)F)nc3C2)C1 ZINC001169007674 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2 318.337 1.216 20 5 DDBDLO CN(CCC[N@H+](C)Cc1ccns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273508322 851041682 /nfs/dbraw/zinc/04/16/82/851041682.db2.gz ZXEFRIBDAYASQS-VXGBXAGGSA-N 1 2 312.395 1.089 20 5 DDBDLO CN(CCC[N@@H+](C)Cc1ccns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273508322 851041692 /nfs/dbraw/zinc/04/16/92/851041692.db2.gz ZXEFRIBDAYASQS-VXGBXAGGSA-N 1 2 312.395 1.089 20 5 DDBDLO COc1ccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001159098083 865105062 /nfs/dbraw/zinc/10/50/62/865105062.db2.gz NIGAKOWOYOTHAZ-RYUDHWBXSA-N 1 2 323.324 1.472 20 5 DDBDLO COc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001159098083 865105057 /nfs/dbraw/zinc/10/50/57/865105057.db2.gz NIGAKOWOYOTHAZ-RYUDHWBXSA-N 1 2 323.324 1.472 20 5 DDBDLO COc1nc(NC2CN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC001161319060 866524574 /nfs/dbraw/zinc/52/45/74/866524574.db2.gz IXCWHGUEFFXBAU-UHFFFAOYSA-N 1 2 302.294 1.089 20 5 DDBDLO C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2C1 ZINC001325652155 868216699 /nfs/dbraw/zinc/21/66/99/868216699.db2.gz RJIFAPMWQKBGMK-UHFFFAOYSA-N 1 2 301.306 1.410 20 5 DDBDLO C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2C1 ZINC001325652155 868216717 /nfs/dbraw/zinc/21/67/17/868216717.db2.gz RJIFAPMWQKBGMK-UHFFFAOYSA-N 1 2 301.306 1.410 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)n2cc[nH+]c2)n1 ZINC001163722162 868656196 /nfs/dbraw/zinc/65/61/96/868656196.db2.gz UEZZNZKATVILOV-UHFFFAOYSA-N 1 2 319.321 1.820 20 5 DDBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228139115 883358910 /nfs/dbraw/zinc/35/89/10/883358910.db2.gz PXGAJHIFWAJKGJ-LLVKDONJSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228139115 883358930 /nfs/dbraw/zinc/35/89/30/883358930.db2.gz PXGAJHIFWAJKGJ-LLVKDONJSA-N 1 2 303.318 1.852 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001251744502 894796658 /nfs/dbraw/zinc/79/66/58/894796658.db2.gz OZAMRFMPVVXKFQ-UHFFFAOYSA-N 1 2 315.333 1.596 20 5 DDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001254563360 896502173 /nfs/dbraw/zinc/50/21/73/896502173.db2.gz WVIWBXLZRWLGTB-DGCLKSJQSA-N 1 2 312.391 1.645 20 5 DDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001254563360 896502182 /nfs/dbraw/zinc/50/21/82/896502182.db2.gz WVIWBXLZRWLGTB-DGCLKSJQSA-N 1 2 312.391 1.645 20 5 DDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443716324 529730797 /nfs/dbraw/zinc/73/07/97/529730797.db2.gz GBTWLUNSSPBYSD-UHFFFAOYSA-N 1 2 313.379 1.141 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000264255064 186329419 /nfs/dbraw/zinc/32/94/19/186329419.db2.gz ZOSYAAIFDTZGPY-UHFFFAOYSA-N 1 2 318.337 1.240 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000008376173 352135004 /nfs/dbraw/zinc/13/50/04/352135004.db2.gz NJSYLIWZYPABHQ-UHFFFAOYSA-N 1 2 307.379 1.712 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1C ZINC000080624361 192174870 /nfs/dbraw/zinc/17/48/70/192174870.db2.gz BGCBPONXQJGBRY-UHFFFAOYSA-N 1 2 310.335 1.413 20 5 DDBDLO CCCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000045805055 352425004 /nfs/dbraw/zinc/42/50/04/352425004.db2.gz LAGDWZYTFFDAMX-UHFFFAOYSA-N 1 2 323.349 1.549 20 5 DDBDLO CCCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000045805055 352425005 /nfs/dbraw/zinc/42/50/05/352425005.db2.gz LAGDWZYTFFDAMX-UHFFFAOYSA-N 1 2 323.349 1.549 20 5 DDBDLO Cc1nn(C)c(N2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000051347971 352584923 /nfs/dbraw/zinc/58/49/23/352584923.db2.gz QEIHLCZPXJKLST-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000054389699 352690750 /nfs/dbraw/zinc/69/07/50/352690750.db2.gz MYSRSQUQEQGFQD-JTQLQIEISA-N 1 2 324.406 1.445 20 5 DDBDLO Cc1nnc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000331890075 234241352 /nfs/dbraw/zinc/24/13/52/234241352.db2.gz HGJBBERZNDSALD-VIFPVBQESA-N 1 2 306.326 1.881 20 5 DDBDLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778018 198250706 /nfs/dbraw/zinc/25/07/06/198250706.db2.gz QIFZCGMVMVJJLQ-LBPRGKRZSA-N 1 2 323.349 1.193 20 5 DDBDLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173778018 198250708 /nfs/dbraw/zinc/25/07/08/198250708.db2.gz QIFZCGMVMVJJLQ-LBPRGKRZSA-N 1 2 323.349 1.193 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000081015174 353644332 /nfs/dbraw/zinc/64/43/32/353644332.db2.gz RXFQGLCPAVWPRE-CQSZACIVSA-N 1 2 309.366 1.033 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093334328 353896656 /nfs/dbraw/zinc/89/66/56/353896656.db2.gz PCVFTWSCDKGHSJ-HZMBPMFUSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093334328 353896658 /nfs/dbraw/zinc/89/66/58/353896658.db2.gz PCVFTWSCDKGHSJ-HZMBPMFUSA-N 1 2 323.349 1.245 20 5 DDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000290316421 354443000 /nfs/dbraw/zinc/44/30/00/354443000.db2.gz YXPMPLAMALJVEG-UHFFFAOYSA-N 1 2 310.335 1.115 20 5 DDBDLO Nc1cc(NCc2cn3ccccc3[nH+]2)cc(CO)c1[N+](=O)[O-] ZINC000586989307 354878466 /nfs/dbraw/zinc/87/84/66/354878466.db2.gz ZXMUHZXMAWMAFA-UHFFFAOYSA-N 1 2 313.317 1.929 20 5 DDBDLO Cc1c(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000587036259 354879065 /nfs/dbraw/zinc/87/90/65/354879065.db2.gz RXOHAPWULLSEKB-ZDUSSCGKSA-N 1 2 314.345 1.773 20 5 DDBDLO CC(=O)c1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000588002757 354892158 /nfs/dbraw/zinc/89/21/58/354892158.db2.gz IIZAYOIJXHZDPJ-ZUZCIYMTSA-N 1 2 307.350 1.928 20 5 DDBDLO CC(=O)c1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000588002757 354892161 /nfs/dbraw/zinc/89/21/61/354892161.db2.gz IIZAYOIJXHZDPJ-ZUZCIYMTSA-N 1 2 307.350 1.928 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000588070176 354899420 /nfs/dbraw/zinc/89/94/20/354899420.db2.gz JWGDZVWSGHHSJD-DGCLKSJQSA-N 1 2 323.397 1.419 20 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/nfs/dbraw/zinc/85/20/85/356852085.db2.gz GWZCRWMFFCLICC-UHFFFAOYSA-N 1 2 305.294 1.444 20 5 DDBDLO CN1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1=O ZINC000597214342 357096612 /nfs/dbraw/zinc/09/66/12/357096612.db2.gz NUFRNGBBWUSANO-UHFFFAOYSA-N 1 2 321.333 1.030 20 5 DDBDLO CN1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1=O ZINC000597214342 357096614 /nfs/dbraw/zinc/09/66/14/357096614.db2.gz NUFRNGBBWUSANO-UHFFFAOYSA-N 1 2 321.333 1.030 20 5 DDBDLO COc1cc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc([N+](=O)[O-])c1C ZINC000597857534 357359751 /nfs/dbraw/zinc/35/97/51/357359751.db2.gz MYWLECNDOQWHET-UHFFFAOYSA-N 1 2 304.306 1.907 20 5 DDBDLO COc1cc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc([N+](=O)[O-])c1C ZINC000597857534 357359753 /nfs/dbraw/zinc/35/97/53/357359753.db2.gz MYWLECNDOQWHET-UHFFFAOYSA-N 1 2 304.306 1.907 20 5 DDBDLO Cc1nn(CCC(=O)N[C@H](C)c2[nH+]ccn2C)c(C)c1[N+](=O)[O-] ZINC000598459213 357590325 /nfs/dbraw/zinc/59/03/25/357590325.db2.gz FPSBAALETCKWKU-SNVBAGLBSA-N 1 2 320.353 1.409 20 5 DDBDLO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000598460206 357591485 /nfs/dbraw/zinc/59/14/85/357591485.db2.gz SNVSTXNCPILRLS-VIFPVBQESA-N 1 2 306.326 1.137 20 5 DDBDLO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1[nH+]ccn1C ZINC000598464112 357592621 /nfs/dbraw/zinc/59/26/21/357592621.db2.gz GEHZYHYJDHKTFI-QMMMGPOBSA-N 1 2 318.289 1.548 20 5 DDBDLO Cc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000598946199 357769788 /nfs/dbraw/zinc/76/97/88/357769788.db2.gz DWWCXPQAJBCTPS-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598950882 357774216 /nfs/dbraw/zinc/77/42/16/357774216.db2.gz VKYIDYXJRJEOKN-LBPRGKRZSA-N 1 2 300.318 1.845 20 5 DDBDLO NC(=O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599013871 357794310 /nfs/dbraw/zinc/79/43/10/357794310.db2.gz OASFGXSRPMQUEJ-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000599160522 357833085 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COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602951933 359317204 /nfs/dbraw/zinc/31/72/04/359317204.db2.gz NQCXNWGRNPCVAL-ZFWWWQNUSA-N 1 2 308.334 1.747 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000348315050 283466357 /nfs/dbraw/zinc/46/63/57/283466357.db2.gz BWRLAGBTVGHZJK-UHFFFAOYSA-N 1 2 317.301 1.937 20 5 DDBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000609619997 360336392 /nfs/dbraw/zinc/33/63/92/360336392.db2.gz UUTBBBPZRQWXBZ-UHFFFAOYSA-N 1 2 311.301 1.970 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cn[nH]c1 ZINC000610487315 360448789 /nfs/dbraw/zinc/44/87/89/360448789.db2.gz IBBNIQURMUWJPN-SNVBAGLBSA-N 1 2 303.322 1.777 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cn[nH]c1 ZINC000610487315 360448797 /nfs/dbraw/zinc/44/87/97/360448797.db2.gz IBBNIQURMUWJPN-SNVBAGLBSA-N 1 2 303.322 1.777 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000612107987 360922197 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000076348168 406965217 /nfs/dbraw/zinc/96/52/17/406965217.db2.gz ZRBGHMOLEYSLRE-GFCCVEGCSA-N 1 2 323.349 1.653 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000076348168 406965221 /nfs/dbraw/zinc/96/52/21/406965221.db2.gz ZRBGHMOLEYSLRE-GFCCVEGCSA-N 1 2 323.349 1.653 20 5 DDBDLO CC(=O)N1CC[NH+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000052129273 407147848 /nfs/dbraw/zinc/14/78/48/407147848.db2.gz DFYDVXFEMGPDKP-UHFFFAOYSA-N 1 2 310.329 1.310 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111273983 407404857 /nfs/dbraw/zinc/40/48/57/407404857.db2.gz UJLPMOWJSXQEFW-GXFFZTMASA-N 1 2 307.350 1.693 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111273983 407404859 /nfs/dbraw/zinc/40/48/59/407404859.db2.gz UJLPMOWJSXQEFW-GXFFZTMASA-N 1 2 307.350 1.693 20 5 DDBDLO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCSCC1 ZINC000179174883 407744863 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O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000174356304 407937784 /nfs/dbraw/zinc/93/77/84/407937784.db2.gz SXVUPDKOJYDMEH-AWEZNQCLSA-N 1 2 320.349 1.580 20 5 DDBDLO CCNC(=O)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175050433 408039971 /nfs/dbraw/zinc/03/99/71/408039971.db2.gz FHLMSQZLQUZNFE-UHFFFAOYSA-N 1 2 309.366 1.952 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175050433 408039972 /nfs/dbraw/zinc/03/99/72/408039972.db2.gz FHLMSQZLQUZNFE-UHFFFAOYSA-N 1 2 309.366 1.952 20 5 DDBDLO COC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000189445353 408018276 /nfs/dbraw/zinc/01/82/76/408018276.db2.gz PKJQZWZLRRZPQO-SMDDNHRTSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000189445353 408018284 /nfs/dbraw/zinc/01/82/84/408018284.db2.gz PKJQZWZLRRZPQO-SMDDNHRTSA-N 1 2 310.350 1.839 20 5 DDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000155939469 408226474 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DDBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000160389987 408478304 /nfs/dbraw/zinc/47/83/04/408478304.db2.gz PYLNOQUJRMKYLF-JTQLQIEISA-N 1 2 319.321 1.478 20 5 DDBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160389987 408478308 /nfs/dbraw/zinc/47/83/08/408478308.db2.gz PYLNOQUJRMKYLF-JTQLQIEISA-N 1 2 319.321 1.478 20 5 DDBDLO C[C@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177374111 408591103 /nfs/dbraw/zinc/59/11/03/408591103.db2.gz KTBBSPPKLGLRSM-HNNXBMFYSA-N 1 2 316.317 1.377 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265645384 408729626 /nfs/dbraw/zinc/72/96/26/408729626.db2.gz LLJRDKFFJWIBLC-GWCFXTLKSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265645384 408729631 /nfs/dbraw/zinc/72/96/31/408729631.db2.gz LLJRDKFFJWIBLC-GWCFXTLKSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185122959 408760878 /nfs/dbraw/zinc/76/08/78/408760878.db2.gz UIWVPQBJDUSMNS-CWKPULSASA-N 1 2 313.379 1.232 20 5 DDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185122959 408760883 /nfs/dbraw/zinc/76/08/83/408760883.db2.gz UIWVPQBJDUSMNS-CWKPULSASA-N 1 2 313.379 1.232 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)[S@]1=O ZINC000286133405 408930356 /nfs/dbraw/zinc/93/03/56/408930356.db2.gz VFNBMTPBNRVRKL-GLXKHTEVSA-N 1 2 300.384 1.023 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)[S@]1=O ZINC000286133405 408930359 /nfs/dbraw/zinc/93/03/59/408930359.db2.gz VFNBMTPBNRVRKL-GLXKHTEVSA-N 1 2 300.384 1.023 20 5 DDBDLO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194394013 163282029 /nfs/dbraw/zinc/28/20/29/163282029.db2.gz BNZLDCNPGHZDNI-SECBINFHSA-N 1 2 319.408 1.419 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000194711729 163293876 /nfs/dbraw/zinc/29/38/76/163293876.db2.gz 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/nfs/dbraw/zinc/44/58/21/356445821.db2.gz WHMBAZKVULQEJW-XCBNKYQSSA-N 1 2 309.244 1.779 20 5 DDBDLO Cc1noc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000595430105 356489574 /nfs/dbraw/zinc/48/95/74/356489574.db2.gz KIUKZRKGFOYDAM-UHFFFAOYSA-N 1 2 310.354 1.582 20 5 DDBDLO O=c1[nH]nc(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000595465666 356503377 /nfs/dbraw/zinc/50/33/77/356503377.db2.gz PVNTVXZTLPZPLQ-UHFFFAOYSA-N 1 2 321.312 1.937 20 5 DDBDLO Cc1ccc(C)c(S(=O)(=O)NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000276928549 213182724 /nfs/dbraw/zinc/18/27/24/213182724.db2.gz ZXNFIRRUEDKZSV-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO COC(=O)Cc1cc[nH+]c(NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000596166043 356798486 /nfs/dbraw/zinc/79/84/86/356798486.db2.gz PEJQZZXIOFCZKZ-UHFFFAOYSA-N 1 2 305.294 1.014 20 5 DDBDLO NC(=O)N1CC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596232812 356826214 /nfs/dbraw/zinc/82/62/14/356826214.db2.gz STXCWVBDFHSMJY-JTQLQIEISA-N 1 2 315.333 1.956 20 5 DDBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597858162 357360758 /nfs/dbraw/zinc/36/07/58/357360758.db2.gz KZZCFBBTMSWKDR-LLVKDONJSA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597858162 357360759 /nfs/dbraw/zinc/36/07/59/357360759.db2.gz KZZCFBBTMSWKDR-LLVKDONJSA-N 1 2 307.350 1.903 20 5 DDBDLO CNC(=O)[C@H](C)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599056256 357804059 /nfs/dbraw/zinc/80/40/59/357804059.db2.gz UUCVYOZGUNEPTG-SNVBAGLBSA-N 1 2 302.334 1.961 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(O)(CO)CC1 ZINC000599107267 357817327 /nfs/dbraw/zinc/81/73/27/357817327.db2.gz MRXVVCRFTGYUCP-UHFFFAOYSA-N 1 2 303.318 1.467 20 5 DDBDLO Cc1cc(NCCNc2ccc([N+](=O)[O-])cn2)nc(C(C)C)[nH+]1 ZINC000599147085 357828559 /nfs/dbraw/zinc/82/85/59/357828559.db2.gz FWSZZSZJRIATSW-UHFFFAOYSA-N 1 2 316.365 1.579 20 5 DDBDLO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000179444225 199036115 /nfs/dbraw/zinc/03/61/15/199036115.db2.gz SCAJCNODYHQNLK-JTQLQIEISA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000179444225 199036117 /nfs/dbraw/zinc/03/61/17/199036117.db2.gz SCAJCNODYHQNLK-JTQLQIEISA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000600068547 358113976 /nfs/dbraw/zinc/11/39/76/358113976.db2.gz GVQYFURFGQHMPH-UHFFFAOYSA-N 1 2 311.363 1.249 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCc2[nH+]c[nH]c2C1 ZINC000601166227 358429687 /nfs/dbraw/zinc/42/96/87/358429687.db2.gz LXYRTVCXAXKNRI-UHFFFAOYSA-N 1 2 316.243 1.633 20 5 DDBDLO CC(C)[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181011614 199240961 /nfs/dbraw/zinc/24/09/61/199240961.db2.gz SMQPLZFFBPOKNR-GFCCVEGCSA-N 1 2 318.333 1.527 20 5 DDBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)CC3(O)CCC3)C2)cc1 ZINC000601958936 358753892 /nfs/dbraw/zinc/75/38/92/358753892.db2.gz PFUMMJDPHFWDNJ-CYBMUJFWSA-N 1 2 322.361 1.324 20 5 DDBDLO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000601978188 358763575 /nfs/dbraw/zinc/76/35/75/358763575.db2.gz YGAVPAAYWKVDSU-GASCZTMLSA-N 1 2 305.334 1.372 20 5 DDBDLO Cn1cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])n1 ZINC000602433215 358972394 /nfs/dbraw/zinc/97/23/94/358972394.db2.gz LYMRLFNVOLNEPS-GFCCVEGCSA-N 1 2 318.333 1.600 20 5 DDBDLO Cn1cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])n1 ZINC000602433215 358972400 /nfs/dbraw/zinc/97/24/00/358972400.db2.gz LYMRLFNVOLNEPS-GFCCVEGCSA-N 1 2 318.333 1.600 20 5 DDBDLO Cc1ccccc1N1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602432819 358973019 /nfs/dbraw/zinc/97/30/19/358973019.db2.gz IUXSLGSPTKHBSH-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602867172 359251725 /nfs/dbraw/zinc/25/17/25/359251725.db2.gz QTOGXOPNFBQECA-GFCCVEGCSA-N 1 2 316.365 1.592 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602867172 359251729 /nfs/dbraw/zinc/25/17/29/359251729.db2.gz QTOGXOPNFBQECA-GFCCVEGCSA-N 1 2 316.365 1.592 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602896773 359279332 /nfs/dbraw/zinc/27/93/32/359279332.db2.gz GXFGSMFBKBZNRE-GFCCVEGCSA-N 1 2 302.338 1.727 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602896773 359279334 /nfs/dbraw/zinc/27/93/34/359279334.db2.gz GXFGSMFBKBZNRE-GFCCVEGCSA-N 1 2 302.338 1.727 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603249007 359514417 /nfs/dbraw/zinc/51/44/17/359514417.db2.gz DKEBMBNFAHERKE-ABAIWWIYSA-N 1 2 317.349 1.765 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603214219 359486854 /nfs/dbraw/zinc/48/68/54/359486854.db2.gz HEGHXKZWVUSIAH-GWCFXTLKSA-N 1 2 303.322 1.457 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131562 360262864 /nfs/dbraw/zinc/26/28/64/360262864.db2.gz SBHBNZCBOUNYON-LBPRGKRZSA-N 1 2 318.337 1.160 20 5 DDBDLO CNc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000609178073 360269863 /nfs/dbraw/zinc/26/98/63/360269863.db2.gz DWSIQVZOKSMYTH-LLVKDONJSA-N 1 2 322.365 1.087 20 5 DDBDLO CNc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000609178073 360269867 /nfs/dbraw/zinc/26/98/67/360269867.db2.gz DWSIQVZOKSMYTH-LLVKDONJSA-N 1 2 322.365 1.087 20 5 DDBDLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000609846477 360355566 /nfs/dbraw/zinc/35/55/66/360355566.db2.gz PFCLGMYKKVNOCN-ONGXEEELSA-N 1 2 318.337 1.929 20 5 DDBDLO Cc1noc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000609846477 360355570 /nfs/dbraw/zinc/35/55/70/360355570.db2.gz PFCLGMYKKVNOCN-ONGXEEELSA-N 1 2 318.337 1.929 20 5 DDBDLO COc1cccc(NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000277558204 213616070 /nfs/dbraw/zinc/61/60/70/213616070.db2.gz YJDJJHXXSBNMHR-UHFFFAOYSA-N 1 2 307.350 1.880 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000359484401 299455349 /nfs/dbraw/zinc/45/53/49/299455349.db2.gz PVGOBXFJBCEHAO-UHFFFAOYSA-N 1 2 319.369 1.165 20 5 DDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnnn1C1CC1 ZINC000285201165 218331369 /nfs/dbraw/zinc/33/13/69/218331369.db2.gz DAZHZLCBCNHXGD-UHFFFAOYSA-N 1 2 302.338 1.591 20 5 DDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnnn1C1CC1 ZINC000285201165 218331371 /nfs/dbraw/zinc/33/13/71/218331371.db2.gz DAZHZLCBCNHXGD-UHFFFAOYSA-N 1 2 302.338 1.591 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000157329618 197180014 /nfs/dbraw/zinc/18/00/14/197180014.db2.gz RGCPYKOWDPXWIL-GXTWGEPZSA-N 1 2 310.350 1.445 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000157329618 197180016 /nfs/dbraw/zinc/18/00/16/197180016.db2.gz RGCPYKOWDPXWIL-GXTWGEPZSA-N 1 2 310.350 1.445 20 5 DDBDLO COC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000451760472 533253068 /nfs/dbraw/zinc/25/30/68/533253068.db2.gz VEQWDYDARMZGBT-UHFFFAOYSA-N 1 2 324.333 1.285 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000190326537 296519537 /nfs/dbraw/zinc/51/95/37/296519537.db2.gz OWESBBKZHVWMME-LLVKDONJSA-N 1 2 312.395 1.742 20 5 DDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000360797690 299747869 /nfs/dbraw/zinc/74/78/69/299747869.db2.gz BWCITCLLJOVEPM-VIFPVBQESA-N 1 2 304.310 1.071 20 5 DDBDLO COc1cccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286437773 286458434 /nfs/dbraw/zinc/45/84/34/286458434.db2.gz SJFQFDIBMIGYBL-STQMWFEESA-N 1 2 321.377 1.903 20 5 DDBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000069862150 406782325 /nfs/dbraw/zinc/78/23/25/406782325.db2.gz WJNTYSYIYSRAMU-LLVKDONJSA-N 1 2 316.379 1.339 20 5 DDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000069862150 406782326 /nfs/dbraw/zinc/78/23/26/406782326.db2.gz WJNTYSYIYSRAMU-LLVKDONJSA-N 1 2 316.379 1.339 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509854 406993105 /nfs/dbraw/zinc/99/31/05/406993105.db2.gz YHCHWADQLPSTTD-JTQLQIEISA-N 1 2 311.313 1.184 20 5 DDBDLO Nc1c(C(=O)NCCCn2cc[nH+]c2)cc(F)cc1[N+](=O)[O-] ZINC000102889806 407328198 /nfs/dbraw/zinc/32/81/98/407328198.db2.gz GRANFFBYXBWWSP-UHFFFAOYSA-N 1 2 307.285 1.333 20 5 DDBDLO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186356117 407643688 /nfs/dbraw/zinc/64/36/88/407643688.db2.gz FOVHKPCZMMWKGA-ZFWWWQNUSA-N 1 2 308.334 1.656 20 5 DDBDLO COC(=O)[C@]1(C)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186356117 407643696 /nfs/dbraw/zinc/64/36/96/407643696.db2.gz FOVHKPCZMMWKGA-ZFWWWQNUSA-N 1 2 308.334 1.656 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1[nH+]ccn1C ZINC000272331047 407870421 /nfs/dbraw/zinc/87/04/21/407870421.db2.gz FAFNUBYACKCSCC-UHFFFAOYSA-N 1 2 310.335 1.115 20 5 DDBDLO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cn1cc[nH+]c1 ZINC000153691446 407879721 /nfs/dbraw/zinc/87/97/21/407879721.db2.gz AKIXUIWZNTUIDX-VIFPVBQESA-N 1 2 321.312 1.579 20 5 DDBDLO Cc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000153800070 407904551 /nfs/dbraw/zinc/90/45/51/407904551.db2.gz GDWZYJHJOWHTCS-UONOGXRCSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000153800070 407904555 /nfs/dbraw/zinc/90/45/55/407904555.db2.gz GDWZYJHJOWHTCS-UONOGXRCSA-N 1 2 320.349 1.450 20 5 DDBDLO CCC[C@@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000154331932 408019520 /nfs/dbraw/zinc/01/95/20/408019520.db2.gz HZHOQYWBUIZBBJ-DZGCQCFKSA-N 1 2 310.350 1.950 20 5 DDBDLO CCN(CC)c1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c[nH+]1 ZINC000136216953 408089110 /nfs/dbraw/zinc/08/91/10/408089110.db2.gz RSXZNYODXCJQAQ-UHFFFAOYSA-N 1 2 318.337 1.489 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176383851 408352882 /nfs/dbraw/zinc/35/28/82/408352882.db2.gz KJCDVLCDPZDLDB-SNVBAGLBSA-N 1 2 303.322 1.561 20 5 DDBDLO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000264222954 408409922 /nfs/dbraw/zinc/40/99/22/408409922.db2.gz HFQVFXXGIZSUJH-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000264222952 408410892 /nfs/dbraw/zinc/41/08/92/408410892.db2.gz HFQVFXXGIZSUJH-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000191791350 408492618 /nfs/dbraw/zinc/49/26/18/408492618.db2.gz SDZVROXVRKVQDS-SNVBAGLBSA-N 1 2 318.337 1.902 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000184494675 408628750 /nfs/dbraw/zinc/62/87/50/408628750.db2.gz NKRMAYHZJURSBV-UHFFFAOYSA-N 1 2 316.321 1.199 20 5 DDBDLO COc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1F ZINC000185432549 408806679 /nfs/dbraw/zinc/80/66/79/408806679.db2.gz AOROQLNVBPEBSI-FPVGNUTFSA-N 1 2 318.370 1.941 20 5 DDBDLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1F ZINC000185432549 408806681 /nfs/dbraw/zinc/80/66/81/408806681.db2.gz AOROQLNVBPEBSI-FPVGNUTFSA-N 1 2 318.370 1.941 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)cnc1NCC1([NH+]2CCOCC2)CC1 ZINC000277367981 408927361 /nfs/dbraw/zinc/92/73/61/408927361.db2.gz HLJNMMJJWWWYEM-UHFFFAOYSA-N 1 2 312.757 1.920 20 5 DDBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277585569 408971602 /nfs/dbraw/zinc/97/16/02/408971602.db2.gz WFPDXEJGWKHLKS-GTJPDFRWSA-N 1 2 312.391 1.674 20 5 DDBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277585569 408971607 /nfs/dbraw/zinc/97/16/07/408971607.db2.gz WFPDXEJGWKHLKS-GTJPDFRWSA-N 1 2 312.391 1.674 20 5 DDBDLO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C(F)(F)F)O1 ZINC000292087026 408977893 /nfs/dbraw/zinc/97/78/93/408977893.db2.gz CYZMDOYFEBTSLF-JTQLQIEISA-N 1 2 322.287 1.833 20 5 DDBDLO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C(F)(F)F)O1 ZINC000292087026 408977895 /nfs/dbraw/zinc/97/78/95/408977895.db2.gz CYZMDOYFEBTSLF-JTQLQIEISA-N 1 2 322.287 1.833 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000279248034 409178783 /nfs/dbraw/zinc/17/87/83/409178783.db2.gz GULHBQGTIAAOHJ-UHFFFAOYSA-N 1 2 311.338 1.371 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000279248034 409178786 /nfs/dbraw/zinc/17/87/86/409178786.db2.gz GULHBQGTIAAOHJ-UHFFFAOYSA-N 1 2 311.338 1.371 20 5 DDBDLO CC(=O)c1cc(N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000283751108 409208615 /nfs/dbraw/zinc/20/86/15/409208615.db2.gz LBFSIZJBXGZDOG-UHFFFAOYSA-N 1 2 307.350 1.566 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000295534009 409337062 /nfs/dbraw/zinc/33/70/62/409337062.db2.gz JFNIDISQPXSVOE-CQSZACIVSA-N 1 2 310.350 1.575 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000295534009 409337068 /nfs/dbraw/zinc/33/70/68/409337068.db2.gz JFNIDISQPXSVOE-CQSZACIVSA-N 1 2 310.350 1.575 20 5 DDBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000571297743 304451250 /nfs/dbraw/zinc/45/12/50/304451250.db2.gz MVAIQSQRRACANJ-UHFFFAOYSA-N 1 2 316.308 1.630 20 5 DDBDLO O=[N+]([O-])c1cc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)cs1 ZINC000353921618 409560357 /nfs/dbraw/zinc/56/03/57/409560357.db2.gz ICWKKZAGPVHDEC-UHFFFAOYSA-N 1 2 307.379 1.697 20 5 DDBDLO CCNc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000313248939 409803311 /nfs/dbraw/zinc/80/33/11/409803311.db2.gz OSKAORSDKHHCQR-UHFFFAOYSA-N 1 2 317.349 1.733 20 5 DDBDLO CNC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332201742 409973345 /nfs/dbraw/zinc/97/33/45/409973345.db2.gz DKCZWCAYSQABRI-UHFFFAOYSA-N 1 2 317.349 1.429 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332283523 410038400 /nfs/dbraw/zinc/03/84/00/410038400.db2.gz YONAKDNFEYYLJG-OLZOCXBDSA-N 1 2 324.312 1.281 20 5 DDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000332283523 410038405 /nfs/dbraw/zinc/03/84/05/410038405.db2.gz YONAKDNFEYYLJG-OLZOCXBDSA-N 1 2 324.312 1.281 20 5 DDBDLO COC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000355053290 410268421 /nfs/dbraw/zinc/26/84/21/410268421.db2.gz OJQQBDAVMOKTOV-DGCLKSJQSA-N 1 2 310.350 1.694 20 5 DDBDLO C[C@H]([C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000355130400 410329797 /nfs/dbraw/zinc/32/97/97/410329797.db2.gz JKRIQXJGKALOSB-QWHCGFSZSA-N 1 2 321.377 1.363 20 5 DDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000298792342 410398817 /nfs/dbraw/zinc/39/88/17/410398817.db2.gz KHFWAAIXLBTINJ-LLVKDONJSA-N 1 2 321.333 1.337 20 5 DDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000298792342 410398823 /nfs/dbraw/zinc/39/88/23/410398823.db2.gz KHFWAAIXLBTINJ-LLVKDONJSA-N 1 2 321.333 1.337 20 5 DDBDLO CSCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330425495 410685227 /nfs/dbraw/zinc/68/52/27/410685227.db2.gz JEPVRBIJWPISCK-UHFFFAOYSA-N 1 2 315.420 1.777 20 5 DDBDLO CCN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000359988229 410986903 /nfs/dbraw/zinc/98/69/03/410986903.db2.gz RMWWQPUEKCKAEO-GFCCVEGCSA-N 1 2 302.338 1.596 20 5 DDBDLO O=C(NCCNc1cccc[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344183961 411013523 /nfs/dbraw/zinc/01/35/23/411013523.db2.gz XSDDHWDFXZWYRM-UHFFFAOYSA-N 1 2 304.281 1.971 20 5 DDBDLO CCOC(=O)c1ccnc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000133149453 196316585 /nfs/dbraw/zinc/31/65/85/196316585.db2.gz VNYXLVLFUZYLLP-UHFFFAOYSA-N 1 2 305.294 1.475 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000134426231 196390409 /nfs/dbraw/zinc/39/04/09/196390409.db2.gz RPQNLEGNTKKERK-ZIAGYGMSSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000134426231 196390411 /nfs/dbraw/zinc/39/04/11/196390411.db2.gz RPQNLEGNTKKERK-ZIAGYGMSSA-N 1 2 320.349 1.450 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000045555014 418439818 /nfs/dbraw/zinc/43/98/18/418439818.db2.gz PVKLNAKJPPMBCH-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000366719568 418508865 /nfs/dbraw/zinc/50/88/65/418508865.db2.gz NYJUGFVFEBHZCW-NSHDSACASA-N 1 2 304.354 1.571 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000366719568 418508867 /nfs/dbraw/zinc/50/88/67/418508867.db2.gz NYJUGFVFEBHZCW-NSHDSACASA-N 1 2 304.354 1.571 20 5 DDBDLO COCCCNC(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255262924 418566229 /nfs/dbraw/zinc/56/62/29/418566229.db2.gz GKAWAXLKCGRPOL-YVMONPNESA-N 1 2 321.377 1.693 20 5 DDBDLO COCCCNC(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255262924 418566232 /nfs/dbraw/zinc/56/62/32/418566232.db2.gz GKAWAXLKCGRPOL-YVMONPNESA-N 1 2 321.377 1.693 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367840932 418644130 /nfs/dbraw/zinc/64/41/30/418644130.db2.gz SEWYNHUKHJDMDL-UONOGXRCSA-N 1 2 305.334 1.705 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367840932 418644131 /nfs/dbraw/zinc/64/41/31/418644131.db2.gz SEWYNHUKHJDMDL-UONOGXRCSA-N 1 2 305.334 1.705 20 5 DDBDLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881544 418651411 /nfs/dbraw/zinc/65/14/11/418651411.db2.gz SDLZOKVFIWHHNH-GHMZBOCLSA-N 1 2 305.342 1.318 20 5 DDBDLO C[C@H](c1nncn1C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881544 418651413 /nfs/dbraw/zinc/65/14/13/418651413.db2.gz SDLZOKVFIWHHNH-GHMZBOCLSA-N 1 2 305.342 1.318 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420680 418649083 /nfs/dbraw/zinc/64/90/83/418649083.db2.gz OTODRBINVCUJMH-ZDUSSCGKSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420680 418649086 /nfs/dbraw/zinc/64/90/86/418649086.db2.gz OTODRBINVCUJMH-ZDUSSCGKSA-N 1 2 323.349 1.387 20 5 DDBDLO CNc1ccc(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000341725489 418626342 /nfs/dbraw/zinc/62/63/42/418626342.db2.gz ZVWMKHBEJGDBEV-UHFFFAOYSA-N 1 2 303.278 1.957 20 5 DDBDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000361527907 418670934 /nfs/dbraw/zinc/67/09/34/418670934.db2.gz KUGLKRYOJVQYIY-CYBMUJFWSA-N 1 2 310.350 1.841 20 5 DDBDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000361527907 418670937 /nfs/dbraw/zinc/67/09/37/418670937.db2.gz KUGLKRYOJVQYIY-CYBMUJFWSA-N 1 2 310.350 1.841 20 5 DDBDLO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000411915464 419486080 /nfs/dbraw/zinc/48/60/80/419486080.db2.gz ZHDQRJLCOIWNPI-CQSZACIVSA-N 1 2 321.377 1.440 20 5 DDBDLO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000411915464 419486087 /nfs/dbraw/zinc/48/60/87/419486087.db2.gz ZHDQRJLCOIWNPI-CQSZACIVSA-N 1 2 321.377 1.440 20 5 DDBDLO CN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414047955 419808526 /nfs/dbraw/zinc/80/85/26/419808526.db2.gz DAOSOIRKFSZBLY-UHFFFAOYSA-N 1 2 321.377 1.778 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299568866 229218677 /nfs/dbraw/zinc/21/86/77/229218677.db2.gz BHOJKRKPBFGGEF-UHFFFAOYSA-N 1 2 318.337 1.311 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000301196547 229555539 /nfs/dbraw/zinc/55/55/39/229555539.db2.gz KDUIWYBHYNOESE-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436836668 420373886 /nfs/dbraw/zinc/37/38/86/420373886.db2.gz HUJPFDPRJXHXJU-UHFFFAOYSA-N 1 2 303.274 1.634 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459672819 420843878 /nfs/dbraw/zinc/84/38/78/420843878.db2.gz GSSKGUHLHWENMV-JOYOIKCWSA-N 1 2 320.267 1.399 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459672819 420843882 /nfs/dbraw/zinc/84/38/82/420843882.db2.gz GSSKGUHLHWENMV-JOYOIKCWSA-N 1 2 320.267 1.399 20 5 DDBDLO CN(c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC(O)C1 ZINC000447816302 420803930 /nfs/dbraw/zinc/80/39/30/420803930.db2.gz JVLDFOOZEHZOKK-UHFFFAOYSA-N 1 2 321.377 1.387 20 5 DDBDLO CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)COC1 ZINC000448967539 420924372 /nfs/dbraw/zinc/92/43/72/420924372.db2.gz DABOBNVTYQIYKR-UHFFFAOYSA-N 1 2 316.317 1.547 20 5 DDBDLO CO[C@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000487976787 421061340 /nfs/dbraw/zinc/06/13/40/421061340.db2.gz AIIFEQAEUNXAIW-KBPBESRZSA-N 1 2 323.349 1.187 20 5 DDBDLO CN1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)OC1=O ZINC000495656966 421042391 /nfs/dbraw/zinc/04/23/91/421042391.db2.gz ZPIKXYLIRWYOOF-AWEZNQCLSA-N 1 2 320.349 1.167 20 5 DDBDLO NC(=O)C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449777772 421081102 /nfs/dbraw/zinc/08/11/02/421081102.db2.gz VKYSPESUHKYFOF-MASHWEEQSA-N 1 2 305.334 1.184 20 5 DDBDLO NC(=O)C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449777772 421081106 /nfs/dbraw/zinc/08/11/06/421081106.db2.gz VKYSPESUHKYFOF-MASHWEEQSA-N 1 2 305.334 1.184 20 5 DDBDLO C[C@H]1OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450309606 421179955 /nfs/dbraw/zinc/17/99/55/421179955.db2.gz USCJLGNFHKHPKZ-PWSUYJOCSA-N 1 2 316.317 1.688 20 5 DDBDLO CNc1nccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000563408941 421503775 /nfs/dbraw/zinc/50/37/75/421503775.db2.gz MKPCGBKYTBUZEH-WCBMZHEXSA-N 1 2 316.321 1.664 20 5 DDBDLO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000542610149 421825935 /nfs/dbraw/zinc/82/59/35/421825935.db2.gz CDMAOTSOJLPUIX-JOYOIKCWSA-N 1 2 322.321 1.377 20 5 DDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2N)[nH+]1 ZINC000578541135 422593173 /nfs/dbraw/zinc/59/31/73/422593173.db2.gz ZMLNDENWSLZXMF-UHFFFAOYSA-N 1 2 304.310 1.269 20 5 DDBDLO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000296251023 274841733 /nfs/dbraw/zinc/84/17/33/274841733.db2.gz FTRLRCLGBIDTGA-UHFFFAOYSA-N 1 2 300.322 1.415 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273727086 275039814 /nfs/dbraw/zinc/03/98/14/275039814.db2.gz QHNTWAYWUTXXHI-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000089304790 281019952 /nfs/dbraw/zinc/01/99/52/281019952.db2.gz XPOQLKNXSXEJPA-ZDUSSCGKSA-N 1 2 314.345 1.713 20 5 DDBDLO COc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)c([N+](=O)[O-])cc1F ZINC000362179791 300023267 /nfs/dbraw/zinc/02/32/67/300023267.db2.gz MHROHTAGCFPQIT-CQSZACIVSA-N 1 2 314.313 1.326 20 5 DDBDLO COc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c([N+](=O)[O-])cc1F ZINC000362179791 300023268 /nfs/dbraw/zinc/02/32/68/300023268.db2.gz MHROHTAGCFPQIT-CQSZACIVSA-N 1 2 314.313 1.326 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000363377581 300259366 /nfs/dbraw/zinc/25/93/66/300259366.db2.gz FIROIAGXFAAFOW-UHFFFAOYSA-N 1 2 323.349 1.654 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000363377581 300259368 /nfs/dbraw/zinc/25/93/68/300259368.db2.gz FIROIAGXFAAFOW-UHFFFAOYSA-N 1 2 323.349 1.654 20 5 DDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367070860 300796298 /nfs/dbraw/zinc/79/62/98/300796298.db2.gz HMBHGSBKPURJOH-HNNXBMFYSA-N 1 2 312.329 1.777 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000286286472 301855932 /nfs/dbraw/zinc/85/59/32/301855932.db2.gz IKCSBYAFEPLGOE-OLZOCXBDSA-N 1 2 306.366 1.598 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000377784866 302233046 /nfs/dbraw/zinc/23/30/46/302233046.db2.gz PYBCWAQXGOMZBV-SNVBAGLBSA-N 1 2 310.745 1.625 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000377784866 302233048 /nfs/dbraw/zinc/23/30/48/302233048.db2.gz PYBCWAQXGOMZBV-SNVBAGLBSA-N 1 2 310.745 1.625 20 5 DDBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCC1CCC1 ZINC000369017048 307114548 /nfs/dbraw/zinc/11/45/48/307114548.db2.gz GZUGSANUCNPRTE-CYBMUJFWSA-N 1 2 321.381 1.345 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCC1CCC1 ZINC000369017048 307114549 /nfs/dbraw/zinc/11/45/49/307114549.db2.gz GZUGSANUCNPRTE-CYBMUJFWSA-N 1 2 321.381 1.345 20 5 DDBDLO Cn1c[nH+]c2c1CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000370744898 307135153 /nfs/dbraw/zinc/13/51/53/307135153.db2.gz KXICHPWEXWKGBS-VOTSOKGWSA-N 1 2 312.329 1.926 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000374348824 307206075 /nfs/dbraw/zinc/20/60/75/307206075.db2.gz GXRWJAKWVKBHMH-LBPRGKRZSA-N 1 2 300.318 1.958 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374363453 307206456 /nfs/dbraw/zinc/20/64/56/307206456.db2.gz IEODSKQHEMBKHJ-HNNXBMFYSA-N 1 2 312.329 1.777 20 5 DDBDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CCOCC1 ZINC000375560570 307228289 /nfs/dbraw/zinc/22/82/89/307228289.db2.gz JVILCXZHBPGQFR-YNEHKIRRSA-N 1 2 322.365 1.152 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000376540302 307246325 /nfs/dbraw/zinc/24/63/25/307246325.db2.gz KKBROPRDMXPHBO-ZDUSSCGKSA-N 1 2 308.334 1.667 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000376540302 307246326 /nfs/dbraw/zinc/24/63/26/307246326.db2.gz KKBROPRDMXPHBO-ZDUSSCGKSA-N 1 2 308.334 1.667 20 5 DDBDLO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000377385576 307268814 /nfs/dbraw/zinc/26/88/14/307268814.db2.gz HSOCRSGNKZTBJI-JHJVBQTASA-N 1 2 306.366 1.835 20 5 DDBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000541983388 307697344 /nfs/dbraw/zinc/69/73/44/307697344.db2.gz JGUNGISKZFSYNC-NSHDSACASA-N 1 2 306.322 1.160 20 5 DDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])CCC2 ZINC000571823355 308203468 /nfs/dbraw/zinc/20/34/68/308203468.db2.gz YGRBPAYJHQRYKM-VIFPVBQESA-N 1 2 304.310 1.130 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000583880299 337375691 /nfs/dbraw/zinc/37/56/91/337375691.db2.gz SWVUMNHCLKXIRK-OAHLLOKOSA-N 1 2 305.334 1.458 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000583880299 337375692 /nfs/dbraw/zinc/37/56/92/337375692.db2.gz SWVUMNHCLKXIRK-OAHLLOKOSA-N 1 2 305.334 1.458 20 5 DDBDLO Cn1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000331949737 534678381 /nfs/dbraw/zinc/67/83/81/534678381.db2.gz QPWYDIPOYYLFGM-UHFFFAOYSA-N 1 2 303.322 1.607 20 5 DDBDLO Cc1nn(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000029582702 696111341 /nfs/dbraw/zinc/11/13/41/696111341.db2.gz LEXWRDHMZJMIHU-UHFFFAOYSA-N 1 2 321.381 1.356 20 5 DDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000776593480 698124138 /nfs/dbraw/zinc/12/41/38/698124138.db2.gz JVTARQUHJAORIA-HOTGVXAUSA-N 1 2 321.377 1.035 20 5 DDBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778416250 698334729 /nfs/dbraw/zinc/33/47/29/698334729.db2.gz GOAOKACAIOGPKX-LSDHHAIUSA-N 1 2 321.377 1.571 20 5 DDBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778416250 698334733 /nfs/dbraw/zinc/33/47/33/698334733.db2.gz GOAOKACAIOGPKX-LSDHHAIUSA-N 1 2 321.377 1.571 20 5 DDBDLO O=C(COc1cccc([N+](=O)[O-])c1)OCCCn1cc[nH+]c1 ZINC000782703887 698761352 /nfs/dbraw/zinc/76/13/52/698761352.db2.gz FIYWTDBAPZOTJQ-UHFFFAOYSA-N 1 2 305.290 1.804 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)OCCCn1cc[nH+]c1 ZINC000783279211 698830340 /nfs/dbraw/zinc/83/03/40/698830340.db2.gz LWNXTKKVEOQEPY-UHFFFAOYSA-N 1 2 323.280 1.943 20 5 DDBDLO Cc1cc(C(=O)NCCCCn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000729285943 699475880 /nfs/dbraw/zinc/47/58/80/699475880.db2.gz USMXCEIYESMHIF-UHFFFAOYSA-N 1 2 317.349 1.892 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791537811 699640008 /nfs/dbraw/zinc/64/00/08/699640008.db2.gz KSTVJMGXRSGQQH-UHFFFAOYSA-N 1 2 303.274 1.938 20 5 DDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793255385 699743828 /nfs/dbraw/zinc/74/38/28/699743828.db2.gz KAKJVXNKYFWQAA-UHFFFAOYSA-N 1 2 318.333 1.794 20 5 DDBDLO CO[C@]1(C)CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794652077 699821250 /nfs/dbraw/zinc/82/12/50/699821250.db2.gz YCHFHBXRGNBRJL-OAHLLOKOSA-N 1 2 321.333 1.961 20 5 DDBDLO CO[C@]1(C)CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794652077 699821251 /nfs/dbraw/zinc/82/12/51/699821251.db2.gz YCHFHBXRGNBRJL-OAHLLOKOSA-N 1 2 321.333 1.961 20 5 DDBDLO C[C@@H]1C[NH+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000751932050 700327372 /nfs/dbraw/zinc/32/73/72/700327372.db2.gz YKDOKZOPFDIRNH-NXEZZACHSA-N 1 2 303.318 1.736 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000771144177 701311287 /nfs/dbraw/zinc/31/12/87/701311287.db2.gz FUAQPOGJWMHLCC-OAQYLSRUSA-N 1 2 311.407 1.404 20 5 DDBDLO O=C(CCOc1cccc([N+](=O)[O-])c1)OCCn1cc[nH+]c1 ZINC000771914605 701336882 /nfs/dbraw/zinc/33/68/82/701336882.db2.gz KJKIFGXWMRVSRH-UHFFFAOYSA-N 1 2 305.290 1.804 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892580 706598759 /nfs/dbraw/zinc/59/87/59/706598759.db2.gz XYNNCIPSPLEFKG-CMPLNLGQSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892580 706598760 /nfs/dbraw/zinc/59/87/60/706598760.db2.gz XYNNCIPSPLEFKG-CMPLNLGQSA-N 1 2 312.297 1.090 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)OCC2CN(c3cccc[nH+]3)C2)n1 ZINC000842887460 702787654 /nfs/dbraw/zinc/78/76/54/702787654.db2.gz AUQURMSVWWOHLS-UHFFFAOYSA-N 1 2 317.305 1.017 20 5 DDBDLO CC1(O)CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853503247 704252297 /nfs/dbraw/zinc/25/22/97/704252297.db2.gz QIONIGNVYHIKMI-UHFFFAOYSA-N 1 2 317.349 1.658 20 5 DDBDLO CNc1nccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857977629 704653709 /nfs/dbraw/zinc/65/37/09/704653709.db2.gz GKTXLFQSCGEFLR-VIFPVBQESA-N 1 2 302.294 1.103 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874699597 705132343 /nfs/dbraw/zinc/13/23/43/705132343.db2.gz SQCNAQAZOWFFPG-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874699597 705132345 /nfs/dbraw/zinc/13/23/45/705132345.db2.gz SQCNAQAZOWFFPG-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000874704276 705137972 /nfs/dbraw/zinc/13/79/72/705137972.db2.gz WZYRKSUSRPHWMI-CYBMUJFWSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000874704276 705137977 /nfs/dbraw/zinc/13/79/77/705137977.db2.gz WZYRKSUSRPHWMI-CYBMUJFWSA-N 1 2 321.377 1.744 20 5 DDBDLO C/C(=C\C(=O)NC[C@@H]1COCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000862970988 705840051 /nfs/dbraw/zinc/84/00/51/705840051.db2.gz NSIYEGLMHDFXDR-SAAWKEMMSA-N 1 2 319.361 1.445 20 5 DDBDLO C/C(=C\C(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000862970988 705840057 /nfs/dbraw/zinc/84/00/57/705840057.db2.gz NSIYEGLMHDFXDR-SAAWKEMMSA-N 1 2 319.361 1.445 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000830036086 706442466 /nfs/dbraw/zinc/44/24/66/706442466.db2.gz XCACYTSDVBOYCX-LBPRGKRZSA-N 1 2 323.324 1.281 20 5 DDBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537648 707033019 /nfs/dbraw/zinc/03/30/19/707033019.db2.gz ONISMIHVEIBZEI-NSHDSACASA-N 1 2 318.308 1.604 20 5 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ZINC000104774623 194037409 /nfs/dbraw/zinc/03/74/09/194037409.db2.gz YWEBFDWQZBPIQD-RYUDHWBXSA-N 1 2 322.365 1.826 20 5 DDBDLO CCOCCN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105831305 194140400 /nfs/dbraw/zinc/14/04/00/194140400.db2.gz TYWSLQPFHMIVCU-UHFFFAOYSA-N 1 2 323.393 1.628 20 5 DDBDLO COC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330814171 532990034 /nfs/dbraw/zinc/99/00/34/532990034.db2.gz MWFCXKGTMJTWRW-JTQLQIEISA-N 1 2 313.379 1.449 20 5 DDBDLO CNc1nc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000412275758 533077860 /nfs/dbraw/zinc/07/78/60/533077860.db2.gz FDVURSUHXGKEJM-LLVKDONJSA-N 1 2 318.337 1.882 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000267520294 286383438 /nfs/dbraw/zinc/38/34/38/286383438.db2.gz FVTZEZQMQREXJH-WBMJQRKESA-N 1 2 321.377 1.760 20 5 DDBDLO Cc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000061035440 407227393 /nfs/dbraw/zinc/22/73/93/407227393.db2.gz YAKSMXIHNCIFNY-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/73/89/96/407738996.db2.gz XHBPSOTZDDRCTA-SECBINFHSA-N 1 2 315.757 1.570 20 5 DDBDLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866601 407958940 /nfs/dbraw/zinc/95/89/40/407958940.db2.gz ZBWCCAIPDPCDEL-LLVKDONJSA-N 1 2 322.365 1.818 20 5 DDBDLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866601 407958945 /nfs/dbraw/zinc/95/89/45/407958945.db2.gz ZBWCCAIPDPCDEL-LLVKDONJSA-N 1 2 322.365 1.818 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000273161371 408085542 /nfs/dbraw/zinc/08/55/42/408085542.db2.gz KLVPHRTZJVLPDH-UHFFFAOYSA-N 1 2 300.322 1.992 20 5 DDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273439180 408199482 /nfs/dbraw/zinc/19/94/82/408199482.db2.gz AYMNUFXCKRBEKT-UHFFFAOYSA-N 1 2 324.362 1.290 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH+]1CCOCC1 ZINC000191391134 408417346 /nfs/dbraw/zinc/41/73/46/408417346.db2.gz BCPWCFPRYKBHCJ-UHFFFAOYSA-N 1 2 322.365 1.665 20 5 DDBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000160389849 408479017 /nfs/dbraw/zinc/47/90/17/408479017.db2.gz PYLNOQUJRMKYLF-SNVBAGLBSA-N 1 2 319.321 1.478 20 5 DDBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160389849 408479024 /nfs/dbraw/zinc/47/90/24/408479024.db2.gz PYLNOQUJRMKYLF-SNVBAGLBSA-N 1 2 319.321 1.478 20 5 DDBDLO CCOc1cccc(N(C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000184105995 408549375 /nfs/dbraw/zinc/54/93/75/408549375.db2.gz CPVOIHSBBUGVTJ-UHFFFAOYSA-N 1 2 309.366 1.762 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000192584802 408614608 /nfs/dbraw/zinc/61/46/08/408614608.db2.gz ZFSKZBQFMUSOAD-GFCCVEGCSA-N 1 2 307.350 1.042 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000192584802 408614610 /nfs/dbraw/zinc/61/46/10/408614610.db2.gz ZFSKZBQFMUSOAD-GFCCVEGCSA-N 1 2 307.350 1.042 20 5 DDBDLO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000265529212 408684214 /nfs/dbraw/zinc/68/42/14/408684214.db2.gz NEVVJMNLMLDXRR-ZJUUUORDSA-N 1 2 314.773 1.535 20 5 DDBDLO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000265529212 408684219 /nfs/dbraw/zinc/68/42/19/408684219.db2.gz NEVVJMNLMLDXRR-ZJUUUORDSA-N 1 2 314.773 1.535 20 5 DDBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252745385 408807629 /nfs/dbraw/zinc/80/76/29/408807629.db2.gz OOGKRHYHHBTIPN-UONOGXRCSA-N 1 2 317.349 1.594 20 5 DDBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252745385 408807630 /nfs/dbraw/zinc/80/76/30/408807630.db2.gz OOGKRHYHHBTIPN-UONOGXRCSA-N 1 2 317.349 1.594 20 5 DDBDLO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277260654 408907944 /nfs/dbraw/zinc/90/79/44/408907944.db2.gz QXOPHZJZMCCTDC-GTJPDFRWSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277260654 408907947 /nfs/dbraw/zinc/90/79/47/408907947.db2.gz QXOPHZJZMCCTDC-GTJPDFRWSA-N 1 2 312.391 1.817 20 5 DDBDLO CS(=O)(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000292235730 409007311 /nfs/dbraw/zinc/00/73/11/409007311.db2.gz WFFLLXAELPQSNS-UHFFFAOYSA-N 1 2 312.391 1.851 20 5 DDBDLO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282417289 409050457 /nfs/dbraw/zinc/05/04/57/409050457.db2.gz GLYOXTYLDZZSOL-SNVBAGLBSA-N 1 2 311.363 1.626 20 5 DDBDLO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282417289 409050463 /nfs/dbraw/zinc/05/04/63/409050463.db2.gz GLYOXTYLDZZSOL-SNVBAGLBSA-N 1 2 311.363 1.626 20 5 DDBDLO CC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000288418031 409165103 /nfs/dbraw/zinc/16/51/03/409165103.db2.gz MAAZIVJKWZGUCN-SNVBAGLBSA-N 1 2 317.349 1.637 20 5 DDBDLO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000288617261 409172476 /nfs/dbraw/zinc/17/24/76/409172476.db2.gz ZWDQCECRCPYUHW-WCQYABFASA-N 1 2 319.361 1.999 20 5 DDBDLO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000319031448 164034748 /nfs/dbraw/zinc/03/47/48/164034748.db2.gz GOVANEHNFHAKQZ-NSHDSACASA-N 1 2 307.350 1.905 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374373473 164171773 /nfs/dbraw/zinc/17/17/73/164171773.db2.gz IDBJKOMBIUIKSA-HNNXBMFYSA-N 1 2 312.329 1.777 20 5 DDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513504 409588234 /nfs/dbraw/zinc/58/82/34/409588234.db2.gz NEDLVYIHIDEJJT-ZANVPECISA-N 1 2 305.334 1.513 20 5 DDBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331513504 409588237 /nfs/dbraw/zinc/58/82/37/409588237.db2.gz NEDLVYIHIDEJJT-ZANVPECISA-N 1 2 305.334 1.513 20 5 DDBDLO Cc1c[nH+]cc(CCc2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000350521393 409955931 /nfs/dbraw/zinc/95/59/31/409955931.db2.gz ANEQDQCPWBTZSU-UHFFFAOYSA-N 1 2 314.305 1.867 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000338353281 409930962 /nfs/dbraw/zinc/93/09/62/409930962.db2.gz HYCXYAGIDVBZKY-GYSYKLTISA-N 1 2 308.334 1.918 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000338353281 409930969 /nfs/dbraw/zinc/93/09/69/409930969.db2.gz HYCXYAGIDVBZKY-GYSYKLTISA-N 1 2 308.334 1.918 20 5 DDBDLO Cc1ccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)cc1[N+](=O)[O-] ZINC000351194511 410044924 /nfs/dbraw/zinc/04/49/24/410044924.db2.gz PNZUQECITJFCFQ-LBPRGKRZSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1ccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)cc1[N+](=O)[O-] ZINC000351194511 410044930 /nfs/dbraw/zinc/04/49/30/410044930.db2.gz PNZUQECITJFCFQ-LBPRGKRZSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1c(Br)c(NCC[NH+]2CCC2)ncc1[N+](=O)[O-] ZINC000347408545 410528645 /nfs/dbraw/zinc/52/86/45/410528645.db2.gz CEBGIODQDOBKMP-UHFFFAOYSA-N 1 2 315.171 2.178 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2ncnc2C1 ZINC000352275425 410593470 /nfs/dbraw/zinc/59/34/70/410593470.db2.gz ONEXSVJOSLKDLA-UHFFFAOYSA-N 1 2 317.349 1.989 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2ncnc2C1 ZINC000352275425 410593472 /nfs/dbraw/zinc/59/34/72/410593472.db2.gz ONEXSVJOSLKDLA-UHFFFAOYSA-N 1 2 317.349 1.989 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000347868848 410764009 /nfs/dbraw/zinc/76/40/09/410764009.db2.gz UDUZIUWVJDWSIG-GFCCVEGCSA-N 1 2 322.365 1.250 20 5 DDBDLO CS(=O)(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000337411733 410765196 /nfs/dbraw/zinc/76/51/96/410765196.db2.gz QVTFXTFNUVJPJF-RYWCDNDXSA-N 1 2 310.375 1.727 20 5 DDBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000337411733 410765205 /nfs/dbraw/zinc/76/52/05/410765205.db2.gz QVTFXTFNUVJPJF-RYWCDNDXSA-N 1 2 310.375 1.727 20 5 DDBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356358557 410985203 /nfs/dbraw/zinc/98/52/03/410985203.db2.gz KCABVTBQOGTHCK-UHFFFAOYSA-N 1 2 312.285 1.878 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000341720864 411051609 /nfs/dbraw/zinc/05/16/09/411051609.db2.gz QTOOBPIWSHTSEV-CYBMUJFWSA-N 1 2 315.333 1.792 20 5 DDBDLO CC(C)Oc1nc(NCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000580583256 422943872 /nfs/dbraw/zinc/94/38/72/422943872.db2.gz ZQWUORLQVOFVLP-UHFFFAOYSA-N 1 2 303.322 1.788 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000286286476 418573636 /nfs/dbraw/zinc/57/36/36/418573636.db2.gz IKCSBYAFEPLGOE-STQMWFEESA-N 1 2 306.366 1.598 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365791823 418909360 /nfs/dbraw/zinc/90/93/60/418909360.db2.gz XPACJTCYFLMLNQ-JTQLQIEISA-N 1 2 317.305 1.406 20 5 DDBDLO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000372935690 418914354 /nfs/dbraw/zinc/91/43/54/418914354.db2.gz SYEJEBPFGFSYNU-LLVKDONJSA-N 1 2 307.350 1.857 20 5 DDBDLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000428349220 419850754 /nfs/dbraw/zinc/85/07/54/419850754.db2.gz OMUJPNWVOSKFKL-GFCCVEGCSA-N 1 2 300.318 1.845 20 5 DDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000428359895 419854262 /nfs/dbraw/zinc/85/42/62/419854262.db2.gz KBNAYBUWQNMQTO-NSHDSACASA-N 1 2 315.333 1.334 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428011001 419788097 /nfs/dbraw/zinc/78/80/97/419788097.db2.gz YRAKPLFVTBRRND-JTQLQIEISA-N 1 2 316.317 1.545 20 5 DDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000299584471 229233995 /nfs/dbraw/zinc/23/39/95/229233995.db2.gz VNWATWVPLIODMR-UHFFFAOYSA-N 1 2 316.321 1.127 20 5 DDBDLO CC1(CO)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450800550 420533898 /nfs/dbraw/zinc/53/38/98/420533898.db2.gz VHAHQQVHLJPYPP-UHFFFAOYSA-N 1 2 321.377 1.246 20 5 DDBDLO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000457108984 420617622 /nfs/dbraw/zinc/61/76/22/420617622.db2.gz GOVPRMNSPSWCQO-GFCCVEGCSA-N 1 2 307.350 1.855 20 5 DDBDLO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000457108984 420617625 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Cc1noc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595465926 356504022 /nfs/dbraw/zinc/50/40/22/356504022.db2.gz GKNIXLBJFXUBPK-LBPRGKRZSA-N 1 2 318.333 1.940 20 5 DDBDLO COc1ccc(OCC[N@H+](C)Cc2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000595596833 356568722 /nfs/dbraw/zinc/56/87/22/356568722.db2.gz ONBUVYXLPPHZPQ-UHFFFAOYSA-N 1 2 306.322 1.837 20 5 DDBDLO COc1ccc(OCC[N@@H+](C)Cc2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000595596833 356568726 /nfs/dbraw/zinc/56/87/26/356568726.db2.gz ONBUVYXLPPHZPQ-UHFFFAOYSA-N 1 2 306.322 1.837 20 5 DDBDLO COc1ccc(OCC[N@H+](C)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000595596833 356568730 /nfs/dbraw/zinc/56/87/30/356568730.db2.gz ONBUVYXLPPHZPQ-UHFFFAOYSA-N 1 2 306.322 1.837 20 5 DDBDLO COc1ccc(OCC[N@@H+](C)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000595596833 356568735 /nfs/dbraw/zinc/56/87/35/356568735.db2.gz ONBUVYXLPPHZPQ-UHFFFAOYSA-N 1 2 306.322 1.837 20 5 DDBDLO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595602588 356571935 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ZINC000599091061 357812532 /nfs/dbraw/zinc/81/25/32/357812532.db2.gz OBVPPFQSTINYSP-SMDDNHRTSA-N 1 2 303.318 1.323 20 5 DDBDLO CNC(=O)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599092914 357813625 /nfs/dbraw/zinc/81/36/25/357813625.db2.gz RFLPRJMYEPRZAZ-NSHDSACASA-N 1 2 300.318 1.715 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000599161933 357834568 /nfs/dbraw/zinc/83/45/68/357834568.db2.gz YEFUVIDLPGJSEK-VIFPVBQESA-N 1 2 320.271 1.751 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000599161933 357834572 /nfs/dbraw/zinc/83/45/72/357834572.db2.gz YEFUVIDLPGJSEK-VIFPVBQESA-N 1 2 320.271 1.751 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](CCCF)CC1 ZINC000600075271 358116247 /nfs/dbraw/zinc/11/62/47/358116247.db2.gz BMXIMPOGALHCPR-UHFFFAOYSA-N 1 2 311.313 1.418 20 5 DDBDLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000180239712 199135124 /nfs/dbraw/zinc/13/51/24/199135124.db2.gz NHCNPMDHDOLIAT-FZMZJTMJSA-N 1 2 307.350 1.411 20 5 DDBDLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000180239712 199135125 /nfs/dbraw/zinc/13/51/25/199135125.db2.gz NHCNPMDHDOLIAT-FZMZJTMJSA-N 1 2 307.350 1.411 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC000601166479 358429879 /nfs/dbraw/zinc/42/98/79/358429879.db2.gz LQTQZOSJRNGCGA-UHFFFAOYSA-N 1 2 316.243 1.564 20 5 DDBDLO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000181046175 199245152 /nfs/dbraw/zinc/24/51/52/199245152.db2.gz WPVZBMBSKPNZPZ-GHMZBOCLSA-N 1 2 322.365 1.016 20 5 DDBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602483093 359008641 /nfs/dbraw/zinc/00/86/41/359008641.db2.gz ITBBUFQJBOJYNC-UHFFFAOYSA-N 1 2 308.338 1.878 20 5 DDBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602483093 359008644 /nfs/dbraw/zinc/00/86/44/359008644.db2.gz ITBBUFQJBOJYNC-UHFFFAOYSA-N 1 2 308.338 1.878 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000602642346 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20 5 DDBDLO C[C@@H](O)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000350473880 284202482 /nfs/dbraw/zinc/20/24/82/284202482.db2.gz GMNNWMFISNREKG-GFCCVEGCSA-N 1 2 309.366 1.610 20 5 DDBDLO Cc1c(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000264599945 204021104 /nfs/dbraw/zinc/02/11/04/204021104.db2.gz BHGXGTJOXGTKNZ-LBPRGKRZSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1c(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000264599945 204021106 /nfs/dbraw/zinc/02/11/06/204021106.db2.gz BHGXGTJOXGTKNZ-LBPRGKRZSA-N 1 2 321.381 1.271 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(F)c1 ZINC000267059619 205776513 /nfs/dbraw/zinc/77/65/13/205776513.db2.gz SSTWOGAAGYRSTR-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000359529334 299469263 /nfs/dbraw/zinc/46/92/63/299469263.db2.gz BVTLSEYGCNRCRC-LLVKDONJSA-N 1 2 310.741 1.805 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274158279 211388952 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CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cnnc2C1 ZINC000105881001 194155723 /nfs/dbraw/zinc/15/57/23/194155723.db2.gz JFWQJQZWHBEWMZ-UHFFFAOYSA-N 1 2 317.349 1.989 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000339186465 250333536 /nfs/dbraw/zinc/33/35/36/250333536.db2.gz UVQXNEORPWMILT-OAHLLOKOSA-N 1 2 308.334 1.682 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000339186465 250333540 /nfs/dbraw/zinc/33/35/40/250333540.db2.gz UVQXNEORPWMILT-OAHLLOKOSA-N 1 2 308.334 1.682 20 5 DDBDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000273717979 211003658 /nfs/dbraw/zinc/00/36/58/211003658.db2.gz GIVYRJNRCHODCM-UHFFFAOYSA-N 1 2 313.379 1.310 20 5 DDBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000273717979 211003661 /nfs/dbraw/zinc/00/36/61/211003661.db2.gz GIVYRJNRCHODCM-UHFFFAOYSA-N 1 2 313.379 1.310 20 5 DDBDLO O=C(NCCCC[NH+]1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269219895 207339086 /nfs/dbraw/zinc/33/90/86/207339086.db2.gz ZYWPDNLRKWDTRT-UHFFFAOYSA-N 1 2 323.349 1.143 20 5 DDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000120157259 195107734 /nfs/dbraw/zinc/10/77/34/195107734.db2.gz JIOCUBCCAPVBQR-UHFFFAOYSA-N 1 2 321.362 1.337 20 5 DDBDLO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(Cl)c1 ZINC000120228005 195123210 /nfs/dbraw/zinc/12/32/10/195123210.db2.gz QGPBUVCMDHKRSS-LLVKDONJSA-N 1 2 316.741 1.320 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1[nH+]ccn1C ZINC000444906531 533141321 /nfs/dbraw/zinc/14/13/21/533141321.db2.gz SZODAHMLGOHHHI-UHFFFAOYSA-N 1 2 305.294 1.659 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cccn1)CCO2 ZINC000352709240 285245234 /nfs/dbraw/zinc/24/52/34/285245234.db2.gz ZMKZREKIARQUMM-AWEZNQCLSA-N 1 2 318.333 1.047 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cccn1)CCO2 ZINC000352709240 285245236 /nfs/dbraw/zinc/24/52/36/285245236.db2.gz ZMKZREKIARQUMM-AWEZNQCLSA-N 1 2 318.333 1.047 20 5 DDBDLO CCOC(=O)c1ccnc(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000271566764 209020390 /nfs/dbraw/zinc/02/03/90/209020390.db2.gz AYUCNFGTHBHKDL-SNVBAGLBSA-N 1 2 319.321 1.864 20 5 DDBDLO Cc1nc(N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)cc[nH+]1 ZINC000294879355 224282037 /nfs/dbraw/zinc/28/20/37/224282037.db2.gz FASICZXJUGEWKU-UHFFFAOYSA-N 1 2 321.381 1.269 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cs1 ZINC000569499637 304358835 /nfs/dbraw/zinc/35/88/35/304358835.db2.gz FDAQKTFOVXESFB-CYBMUJFWSA-N 1 2 311.407 1.953 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cs1 ZINC000569499637 304358837 /nfs/dbraw/zinc/35/88/37/304358837.db2.gz FDAQKTFOVXESFB-CYBMUJFWSA-N 1 2 311.407 1.953 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cs1 ZINC000569499639 304358857 /nfs/dbraw/zinc/35/88/57/304358857.db2.gz FDAQKTFOVXESFB-ZDUSSCGKSA-N 1 2 311.407 1.953 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)cs1 ZINC000569499639 304358859 /nfs/dbraw/zinc/35/88/59/304358859.db2.gz FDAQKTFOVXESFB-ZDUSSCGKSA-N 1 2 311.407 1.953 20 5 DDBDLO Cc1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000126069833 407404084 /nfs/dbraw/zinc/40/40/84/407404084.db2.gz GMRAIEVIDHMWNQ-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO COC(=O)C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000178451722 407458841 /nfs/dbraw/zinc/45/88/41/407458841.db2.gz GKCPVBJHSFRCCJ-CQSZACIVSA-N 1 2 308.334 1.401 20 5 DDBDLO COC(=O)C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000178451722 407458849 /nfs/dbraw/zinc/45/88/49/407458849.db2.gz GKCPVBJHSFRCCJ-CQSZACIVSA-N 1 2 308.334 1.401 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000154844495 408094891 /nfs/dbraw/zinc/09/48/91/408094891.db2.gz UTUFUZUFSBXLCH-UHFFFAOYSA-N 1 2 303.322 1.536 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248581405 408593476 /nfs/dbraw/zinc/59/34/76/408593476.db2.gz FKPUJHJXCYSTOW-KBPBESRZSA-N 1 2 308.334 1.666 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248581405 408593480 /nfs/dbraw/zinc/59/34/80/408593480.db2.gz FKPUJHJXCYSTOW-KBPBESRZSA-N 1 2 308.334 1.666 20 5 DDBDLO COC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000251876571 408789479 /nfs/dbraw/zinc/78/94/79/408789479.db2.gz PKJQZWZLRRZPQO-RISCZKNCSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000251876571 408789483 /nfs/dbraw/zinc/78/94/83/408789483.db2.gz PKJQZWZLRRZPQO-RISCZKNCSA-N 1 2 310.350 1.839 20 5 DDBDLO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(C(C)(C)C)no1 ZINC000185151342 408770202 /nfs/dbraw/zinc/77/02/02/408770202.db2.gz ZNWDZQJODGREPC-VIFPVBQESA-N 1 2 308.342 1.823 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000285967771 408898044 /nfs/dbraw/zinc/89/80/44/408898044.db2.gz AZDINDASHRADGN-SECBINFHSA-N 1 2 323.378 1.732 20 5 DDBDLO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000281727237 408918343 /nfs/dbraw/zinc/91/83/43/408918343.db2.gz NVTPJBDVSXSZLW-UHFFFAOYSA-N 1 2 307.350 1.858 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279303761 409188443 /nfs/dbraw/zinc/18/84/43/409188443.db2.gz MREQZMWTPVCHBO-NSHDSACASA-N 1 2 323.349 1.093 20 5 DDBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912246 409238221 /nfs/dbraw/zinc/23/82/21/409238221.db2.gz GCMXKRCZPFAPHK-LLVKDONJSA-N 1 2 304.306 1.651 20 5 DDBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912246 409238222 /nfs/dbraw/zinc/23/82/22/409238222.db2.gz GCMXKRCZPFAPHK-LLVKDONJSA-N 1 2 304.306 1.651 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000294362422 409286711 /nfs/dbraw/zinc/28/67/11/409286711.db2.gz ZYNMACCAAZQGIU-GHMZBOCLSA-N 1 2 306.240 1.151 20 5 DDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000296185928 409455349 /nfs/dbraw/zinc/45/53/49/409455349.db2.gz ZWYJXPVNBJATRX-UHFFFAOYSA-N 1 2 318.333 1.397 20 5 DDBDLO COC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 ZINC000342302071 409568288 /nfs/dbraw/zinc/56/82/88/409568288.db2.gz OAOBIIXHSJNPJI-GFCCVEGCSA-N 1 2 308.313 1.945 20 5 DDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354445885 409858748 /nfs/dbraw/zinc/85/87/48/409858748.db2.gz MHESCOUOMISAOG-UHFFFAOYSA-N 1 2 321.362 1.337 20 5 DDBDLO O=C(C1CC1)[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000338281004 409869461 /nfs/dbraw/zinc/86/94/61/409869461.db2.gz LDOBDLJTCXVTGR-OAHLLOKOSA-N 1 2 320.345 1.654 20 5 DDBDLO O=C(C1CC1)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000338281004 409869472 /nfs/dbraw/zinc/86/94/72/409869472.db2.gz LDOBDLJTCXVTGR-OAHLLOKOSA-N 1 2 320.345 1.654 20 5 DDBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000354616826 409970336 /nfs/dbraw/zinc/97/03/36/409970336.db2.gz BCLHDPSIBCVIIU-MNOVXSKESA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000354616826 409970342 /nfs/dbraw/zinc/97/03/42/409970342.db2.gz BCLHDPSIBCVIIU-MNOVXSKESA-N 1 2 313.379 1.308 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000338353284 409931166 /nfs/dbraw/zinc/93/11/66/409931166.db2.gz HYCXYAGIDVBZKY-WDMOLILDSA-N 1 2 308.334 1.918 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000338353284 409931173 /nfs/dbraw/zinc/93/11/73/409931173.db2.gz HYCXYAGIDVBZKY-WDMOLILDSA-N 1 2 308.334 1.918 20 5 DDBDLO Cc1ccc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)cc1[N+](=O)[O-] ZINC000351194510 410044541 /nfs/dbraw/zinc/04/45/41/410044541.db2.gz PNZUQECITJFCFQ-GFCCVEGCSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1ccc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)cc1[N+](=O)[O-] ZINC000351194510 410044546 /nfs/dbraw/zinc/04/45/46/410044546.db2.gz PNZUQECITJFCFQ-GFCCVEGCSA-N 1 2 304.306 1.956 20 5 DDBDLO COc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-] ZINC000357941309 410328624 /nfs/dbraw/zinc/32/86/24/410328624.db2.gz YLAPWKOGZCTSKS-UHFFFAOYSA-N 1 2 315.289 1.978 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339731795 410423884 /nfs/dbraw/zinc/42/38/84/410423884.db2.gz PVZGMAZKLNENSL-UHFFFAOYSA-N 1 2 323.349 1.008 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000347654671 410654044 /nfs/dbraw/zinc/65/40/44/410654044.db2.gz LXSOKSWQTDDFTA-NSHDSACASA-N 1 2 313.379 1.497 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000347654671 410654046 /nfs/dbraw/zinc/65/40/46/410654046.db2.gz LXSOKSWQTDDFTA-NSHDSACASA-N 1 2 313.379 1.497 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2C(F)F)c1 ZINC000337423276 410775154 /nfs/dbraw/zinc/77/51/54/410775154.db2.gz VMUIHSCBZNHRIC-MNOVXSKESA-N 1 2 304.297 1.272 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2C(F)F)c1 ZINC000337423276 410775159 /nfs/dbraw/zinc/77/51/59/410775159.db2.gz VMUIHSCBZNHRIC-MNOVXSKESA-N 1 2 304.297 1.272 20 5 DDBDLO 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DDBDLO CC(C)NC(=O)C[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026706095 352210245 /nfs/dbraw/zinc/21/02/45/352210245.db2.gz ZZWOXGXWDYYULQ-UHFFFAOYSA-N 1 2 321.381 1.027 20 5 DDBDLO CC(C)NC(=O)C[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026706095 352210250 /nfs/dbraw/zinc/21/02/50/352210250.db2.gz ZZWOXGXWDYYULQ-UHFFFAOYSA-N 1 2 321.381 1.027 20 5 DDBDLO CS(=O)(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000048609546 352544308 /nfs/dbraw/zinc/54/43/08/352544308.db2.gz ZBHRGLQBKZRJKG-UHFFFAOYSA-N 1 2 319.408 1.170 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063666406 352919000 /nfs/dbraw/zinc/91/90/00/352919000.db2.gz PCNXQIFBAZHIQZ-UHFFFAOYSA-N 1 2 307.285 1.322 20 5 DDBDLO CC[C@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000078523387 353520569 /nfs/dbraw/zinc/52/05/69/353520569.db2.gz CYLSAGFAFWUOFZ-SNVBAGLBSA-N 1 2 314.773 1.536 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422802 353672383 /nfs/dbraw/zinc/67/23/83/353672383.db2.gz JDSQCKOQJHUTRK-ZBFHGGJFSA-N 1 2 315.373 1.837 20 5 DDBDLO CC(=O)N(C)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092538073 353861581 /nfs/dbraw/zinc/86/15/81/353861581.db2.gz HNUNDONBNPYNHY-UHFFFAOYSA-N 1 2 307.350 1.743 20 5 DDBDLO Cn1cc([C@@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000494807584 235092613 /nfs/dbraw/zinc/09/26/13/235092613.db2.gz AFDRHOVVBMFNAB-GFCCVEGCSA-N 1 2 317.305 1.293 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)on1 ZINC000590573029 355117448 /nfs/dbraw/zinc/11/74/48/355117448.db2.gz UMTQVQUIORUOJU-UHFFFAOYSA-N 1 2 318.337 1.191 20 5 DDBDLO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000592488856 355597507 /nfs/dbraw/zinc/59/75/07/355597507.db2.gz MLWIBOFFIFXVQU-CQSZACIVSA-N 1 2 307.350 1.240 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593171311 355816532 /nfs/dbraw/zinc/81/65/32/355816532.db2.gz BWEJXIFFLNEXMN-UHFFFAOYSA-N 1 2 306.297 1.369 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595101306 356382790 /nfs/dbraw/zinc/38/27/90/356382790.db2.gz CZKGUPNBTCXFHU-MRVWCRGKSA-N 1 2 302.334 1.531 20 5 DDBDLO Cc1noc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1[N+](=O)[O-] ZINC000595289975 356434994 /nfs/dbraw/zinc/43/49/94/356434994.db2.gz IMCZAGQESPYZIX-UHFFFAOYSA-N 1 2 310.354 1.628 20 5 DDBDLO Cc1noc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[N+](=O)[O-] ZINC000595513992 356526674 /nfs/dbraw/zinc/52/66/74/356526674.db2.gz JXGYSTKCITZOIY-UHFFFAOYSA-N 1 2 310.354 1.772 20 5 DDBDLO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Cn1cc[nH+]c1 ZINC000596080967 356765813 /nfs/dbraw/zinc/76/58/13/356765813.db2.gz QLTBDGKOVFHHTI-JTQLQIEISA-N 1 2 303.322 1.638 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc4n(n3)CCC4)nc2c1 ZINC000597118046 357065925 /nfs/dbraw/zinc/06/59/25/357065925.db2.gz VJCAHEJZLXEODM-UHFFFAOYSA-N 1 2 312.333 1.904 20 5 DDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598939930 357765640 /nfs/dbraw/zinc/76/56/40/357765640.db2.gz OCSTVVKLGSEXOA-BYCMXARLSA-N 1 2 312.329 1.636 20 5 DDBDLO Cc1c(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000598945932 357769362 /nfs/dbraw/zinc/76/93/62/357769362.db2.gz DOEUUCASTDMVKY-CYBMUJFWSA-N 1 2 314.345 1.773 20 5 DDBDLO CC(C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1[N+](=O)[O-] ZINC000598949285 357772347 /nfs/dbraw/zinc/77/23/47/357772347.db2.gz XRCUNJPLNODNNS-NSHDSACASA-N 1 2 314.345 1.810 20 5 DDBDLO C[C@H](O)[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599093437 357813296 /nfs/dbraw/zinc/81/32/96/357813296.db2.gz SXFQRZNLPRKVCB-HZMBPMFUSA-N 1 2 303.318 1.729 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602904210 359284595 /nfs/dbraw/zinc/28/45/95/359284595.db2.gz CEMROPDVIQWYHA-CYBMUJFWSA-N 1 2 303.322 1.087 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602904210 359284598 /nfs/dbraw/zinc/28/45/98/359284598.db2.gz CEMROPDVIQWYHA-CYBMUJFWSA-N 1 2 303.322 1.087 20 5 DDBDLO Cc1c(Cn2cc[nH+]c2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000603422064 359630885 /nfs/dbraw/zinc/63/08/85/359630885.db2.gz HZGNULFYMSGHRA-UHFFFAOYSA-N 1 2 316.361 1.980 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000608855750 360250271 /nfs/dbraw/zinc/25/02/71/360250271.db2.gz CPLJOVNQBKNEDD-UHFFFAOYSA-N 1 2 306.366 1.113 20 5 DDBDLO Cc1nnc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000609849510 360356150 /nfs/dbraw/zinc/35/61/50/360356150.db2.gz RGQVWQOYKADIKU-UHFFFAOYSA-N 1 2 316.365 1.339 20 5 DDBDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611191075 360654008 /nfs/dbraw/zinc/65/40/08/360654008.db2.gz GPCRUECVNAADMM-LBPRGKRZSA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611191075 360654011 /nfs/dbraw/zinc/65/40/11/360654011.db2.gz GPCRUECVNAADMM-LBPRGKRZSA-N 1 2 306.322 1.190 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611191075 360654016 /nfs/dbraw/zinc/65/40/16/360654016.db2.gz GPCRUECVNAADMM-LBPRGKRZSA-N 1 2 306.322 1.190 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000611157890 360640486 /nfs/dbraw/zinc/64/04/86/360640486.db2.gz HVQDJLXNPKRZNB-UHFFFAOYSA-N 1 2 310.335 1.413 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611235012 360671580 /nfs/dbraw/zinc/67/15/80/360671580.db2.gz QMVXRPQGZHBSQX-SNVBAGLBSA-N 1 2 304.310 1.002 20 5 DDBDLO COc1ccc(-c2ccc(C[N@H+](C)CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000349873793 284088479 /nfs/dbraw/zinc/08/84/79/284088479.db2.gz LNDRQZNMUNHODF-UHFFFAOYSA-N 1 2 319.317 1.781 20 5 DDBDLO COc1ccc(-c2ccc(C[N@@H+](C)CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000349873793 284088483 /nfs/dbraw/zinc/08/84/83/284088483.db2.gz LNDRQZNMUNHODF-UHFFFAOYSA-N 1 2 319.317 1.781 20 5 DDBDLO CCOCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093312441 193228892 /nfs/dbraw/zinc/22/88/92/193228892.db2.gz HCLMUTMXSIDUGV-UHFFFAOYSA-N 1 2 307.350 1.452 20 5 DDBDLO CCOCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000093312441 193228894 /nfs/dbraw/zinc/22/88/94/193228894.db2.gz HCLMUTMXSIDUGV-UHFFFAOYSA-N 1 2 307.350 1.452 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000359509862 299463240 /nfs/dbraw/zinc/46/32/40/299463240.db2.gz IQVJAXINZJBYHB-UHFFFAOYSA-N 1 2 313.317 1.897 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OCCO)CC2)c(F)c1 ZINC000351750887 284498383 /nfs/dbraw/zinc/49/83/83/284498383.db2.gz CENDPKPEJNBZTI-UHFFFAOYSA-N 1 2 316.304 1.846 20 5 DDBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000267860600 206307215 /nfs/dbraw/zinc/30/72/15/206307215.db2.gz YHTRLGNAFBLETO-JTQLQIEISA-N 1 2 313.741 1.907 20 5 DDBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000267860600 206307219 /nfs/dbraw/zinc/30/72/19/206307219.db2.gz YHTRLGNAFBLETO-JTQLQIEISA-N 1 2 313.741 1.907 20 5 DDBDLO Cn1cc[nH+]c1[C@@H](Nc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000284448730 218031974 /nfs/dbraw/zinc/03/19/74/218031974.db2.gz BCVNILDCSLURSZ-NSHDSACASA-N 1 2 320.353 1.642 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)[nH]1 ZINC000274004544 211261577 /nfs/dbraw/zinc/26/15/77/211261577.db2.gz YNCRNHVMZPKODI-SNVBAGLBSA-N 1 2 305.294 1.509 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)[nH]1 ZINC000274004544 211261579 /nfs/dbraw/zinc/26/15/79/211261579.db2.gz YNCRNHVMZPKODI-SNVBAGLBSA-N 1 2 305.294 1.509 20 5 DDBDLO C[C@@H](CCO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268861760 207028946 /nfs/dbraw/zinc/02/89/46/207028946.db2.gz OYAKGZPFFHNQRN-NSHDSACASA-N 1 2 318.333 1.529 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000119932947 195064755 /nfs/dbraw/zinc/06/47/55/195064755.db2.gz AVUVVLONBIKCSL-UHFFFAOYSA-N 1 2 324.362 1.468 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000337242388 296381523 /nfs/dbraw/zinc/38/15/23/296381523.db2.gz GQPYTLJXMCAPLU-NOZJJQNGSA-N 1 2 309.753 1.959 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000337242388 296381525 /nfs/dbraw/zinc/38/15/25/296381525.db2.gz GQPYTLJXMCAPLU-NOZJJQNGSA-N 1 2 309.753 1.959 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1COC[C@H]1O ZINC000289550572 221059193 /nfs/dbraw/zinc/05/91/93/221059193.db2.gz INYQZCVBDBYVQJ-GHMZBOCLSA-N 1 2 318.276 1.388 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1COC[C@H]1O ZINC000289550572 221059196 /nfs/dbraw/zinc/05/91/96/221059196.db2.gz INYQZCVBDBYVQJ-GHMZBOCLSA-N 1 2 318.276 1.388 20 5 DDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743074 407080789 /nfs/dbraw/zinc/08/07/89/407080789.db2.gz CLEOADWQIJMWLZ-UHFFFAOYSA-N 1 2 320.393 1.585 20 5 DDBDLO Cc1c(C(=O)NCC[N@@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000170866329 407537046 /nfs/dbraw/zinc/53/70/46/407537046.db2.gz HLFOHRJXUKPVIN-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1c(C(=O)NCC[N@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000170866329 407537050 /nfs/dbraw/zinc/53/70/50/407537050.db2.gz HLFOHRJXUKPVIN-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO O=C1NCCN1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171630345 407725958 /nfs/dbraw/zinc/72/59/58/407725958.db2.gz HORYWNKFXNHZSU-UHFFFAOYSA-N 1 2 322.340 1.724 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@@H+]1C1CC1 ZINC000133602690 407861308 /nfs/dbraw/zinc/86/13/08/407861308.db2.gz OWUXTWUPTPOZQW-MWLCHTKSSA-N 1 2 305.334 1.655 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[N@H+]1C1CC1 ZINC000133602690 407861317 /nfs/dbraw/zinc/86/13/17/407861317.db2.gz OWUXTWUPTPOZQW-MWLCHTKSSA-N 1 2 305.334 1.655 20 5 DDBDLO CC(C)OC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189462607 408024933 /nfs/dbraw/zinc/02/49/33/408024933.db2.gz ITUMSUXYASPYEK-ZDUSSCGKSA-N 1 2 310.350 1.444 20 5 DDBDLO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000263704011 408214171 /nfs/dbraw/zinc/21/41/71/408214171.db2.gz JBADGGIBDLHQEG-SECBINFHSA-N 1 2 304.310 1.717 20 5 DDBDLO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000263704011 408214176 /nfs/dbraw/zinc/21/41/76/408214176.db2.gz JBADGGIBDLHQEG-SECBINFHSA-N 1 2 304.310 1.717 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000173764198 162362882 /nfs/dbraw/zinc/36/28/82/162362882.db2.gz QEWQMQNFEAJMBN-HNNXBMFYSA-N 1 2 319.361 1.117 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000173764198 162362886 /nfs/dbraw/zinc/36/28/86/162362886.db2.gz QEWQMQNFEAJMBN-HNNXBMFYSA-N 1 2 319.361 1.117 20 5 DDBDLO C[C@H](O)CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247377970 408459288 /nfs/dbraw/zinc/45/92/88/408459288.db2.gz VOFRVNBOCMZUAN-KBPBESRZSA-N 1 2 307.394 1.524 20 5 DDBDLO C[C@H](O)CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247377970 408459291 /nfs/dbraw/zinc/45/92/91/408459291.db2.gz VOFRVNBOCMZUAN-KBPBESRZSA-N 1 2 307.394 1.524 20 5 DDBDLO COc1cc(OCC(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000264315814 408440241 /nfs/dbraw/zinc/44/02/41/408440241.db2.gz OXJCKMQDYFNSJP-UHFFFAOYSA-N 1 2 320.305 1.032 20 5 DDBDLO C[NH+](C)CCn1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000164455084 408799299 /nfs/dbraw/zinc/79/92/99/408799299.db2.gz JHKQQKKGBCLLJJ-UHFFFAOYSA-N 1 2 319.321 1.311 20 5 DDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185123012 408762071 /nfs/dbraw/zinc/76/20/71/408762071.db2.gz UIWVPQBJDUSMNS-LADRHHBVSA-N 1 2 313.379 1.232 20 5 DDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185123012 408762076 /nfs/dbraw/zinc/76/20/76/408762076.db2.gz UIWVPQBJDUSMNS-LADRHHBVSA-N 1 2 313.379 1.232 20 5 DDBDLO O=C(C[NH2+][C@H](CCO)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000185130358 408764916 /nfs/dbraw/zinc/76/49/16/408764916.db2.gz LUFIJKYAIYPZHX-GFCCVEGCSA-N 1 2 319.317 1.840 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000193962417 163273095 /nfs/dbraw/zinc/27/30/95/163273095.db2.gz JBVNFNUAHZGNLR-CQSZACIVSA-N 1 2 319.361 1.846 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000193962417 163273096 /nfs/dbraw/zinc/27/30/96/163273096.db2.gz JBVNFNUAHZGNLR-CQSZACIVSA-N 1 2 319.361 1.846 20 5 DDBDLO COc1cc(NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000277427990 408939864 /nfs/dbraw/zinc/93/98/64/408939864.db2.gz MEDRVJAPBTWLRT-UHFFFAOYSA-N 1 2 307.350 1.880 20 5 DDBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000277640204 408983482 /nfs/dbraw/zinc/98/34/82/408983482.db2.gz XSAZSIKMNZVYFR-UHFFFAOYSA-N 1 2 315.333 1.834 20 5 DDBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000277640204 408983485 /nfs/dbraw/zinc/98/34/85/408983485.db2.gz XSAZSIKMNZVYFR-UHFFFAOYSA-N 1 2 315.333 1.834 20 5 DDBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894130 409235565 /nfs/dbraw/zinc/23/55/65/409235565.db2.gz BDITUQQQHSPSAL-BTKVJGODSA-N 1 2 315.351 1.702 20 5 DDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894130 409235567 /nfs/dbraw/zinc/23/55/67/409235567.db2.gz BDITUQQQHSPSAL-BTKVJGODSA-N 1 2 315.351 1.702 20 5 DDBDLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000283966743 409248462 /nfs/dbraw/zinc/24/84/62/409248462.db2.gz GTPQJUROOYQHRS-CABCVRRESA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000283966743 409248463 /nfs/dbraw/zinc/24/84/63/409248463.db2.gz GTPQJUROOYQHRS-CABCVRRESA-N 1 2 319.361 1.448 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000294748341 409298436 /nfs/dbraw/zinc/29/84/36/409298436.db2.gz CVOGJSOUCMSDOD-YUTCNCBUSA-N 1 2 302.334 1.531 20 5 DDBDLO COc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000285464552 409453997 /nfs/dbraw/zinc/45/39/97/409453997.db2.gz ZQUYAFOBSJLPDD-INIZCTEOSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000285464552 409454003 /nfs/dbraw/zinc/45/40/03/409454003.db2.gz ZQUYAFOBSJLPDD-INIZCTEOSA-N 1 2 322.361 1.985 20 5 DDBDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408158927 164245713 /nfs/dbraw/zinc/24/57/13/164245713.db2.gz NGWVQAOBYQPVRY-WCQYABFASA-N 1 2 319.361 1.999 20 5 DDBDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408158927 164245717 /nfs/dbraw/zinc/24/57/17/164245717.db2.gz NGWVQAOBYQPVRY-WCQYABFASA-N 1 2 319.361 1.999 20 5 DDBDLO COC(=O)Cc1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000296296421 409494184 /nfs/dbraw/zinc/49/41/84/409494184.db2.gz IDOIBWMDQURPMJ-UHFFFAOYSA-N 1 2 304.306 1.619 20 5 DDBDLO COC(=O)CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000349030178 409656162 /nfs/dbraw/zinc/65/61/62/409656162.db2.gz RYNXFWULMYEPCD-GFCCVEGCSA-N 1 2 307.350 1.446 20 5 DDBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCOCC3)[nH+]c2)nc1 ZINC000354511644 409909524 /nfs/dbraw/zinc/90/95/24/409909524.db2.gz RGNVWRCCJITUEM-UHFFFAOYSA-N 1 2 302.294 1.360 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000318799912 409881179 /nfs/dbraw/zinc/88/11/79/409881179.db2.gz RXPDVRLPCZDRHX-UHFFFAOYSA-N 1 2 305.334 1.468 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000332660095 410194527 /nfs/dbraw/zinc/19/45/27/410194527.db2.gz WTAIANVSRMKESJ-UHFFFAOYSA-N 1 2 322.346 1.304 20 5 DDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347278129 410439488 /nfs/dbraw/zinc/43/94/88/410439488.db2.gz NMEOTKZIMZOMML-UHFFFAOYSA-N 1 2 323.324 1.329 20 5 DDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnnn1C ZINC000347350331 410490788 /nfs/dbraw/zinc/49/07/88/410490788.db2.gz ADGKEGZLPGYNJB-YRNVUSSQSA-N 1 2 302.338 1.654 20 5 DDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnnn1C ZINC000347350331 410490792 /nfs/dbraw/zinc/49/07/92/410490792.db2.gz ADGKEGZLPGYNJB-YRNVUSSQSA-N 1 2 302.338 1.654 20 5 DDBDLO COC(=O)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000343636040 410585629 /nfs/dbraw/zinc/58/56/29/410585629.db2.gz AETBQTHYOISOCW-CQSZACIVSA-N 1 2 324.333 1.238 20 5 DDBDLO COC(=O)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000343636040 410585632 /nfs/dbraw/zinc/58/56/32/410585632.db2.gz AETBQTHYOISOCW-CQSZACIVSA-N 1 2 324.333 1.238 20 5 DDBDLO Nc1nc(NCc2ccc(-n3cc[nH+]c3)nc2)ncc1[N+](=O)[O-] ZINC000301124855 410661620 /nfs/dbraw/zinc/66/16/20/410661620.db2.gz VOFYXJBLCHBCRG-UHFFFAOYSA-N 1 2 312.293 1.160 20 5 DDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355878099 410716255 /nfs/dbraw/zinc/71/62/55/410716255.db2.gz HKNDKCXSAQPTMX-GFCCVEGCSA-N 1 2 305.334 1.609 20 5 DDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355878099 410716261 /nfs/dbraw/zinc/71/62/61/410716261.db2.gz HKNDKCXSAQPTMX-GFCCVEGCSA-N 1 2 305.334 1.609 20 5 DDBDLO Cc1nc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000302790422 410866077 /nfs/dbraw/zinc/86/60/77/410866077.db2.gz YDQPTXNJLXGBMZ-CQSZACIVSA-N 1 2 317.349 1.971 20 5 DDBDLO CC(=O)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000128977271 196009160 /nfs/dbraw/zinc/00/91/60/196009160.db2.gz DTXHTQKCIKCLJN-SNVBAGLBSA-N 1 2 316.317 1.878 20 5 DDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000366358266 418464810 /nfs/dbraw/zinc/46/48/10/418464810.db2.gz ZQEVSGUZRCIYTN-UHFFFAOYSA-N 1 2 305.269 1.169 20 5 DDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360811637 418523139 /nfs/dbraw/zinc/52/31/39/418523139.db2.gz ICPNFTKSROSKQI-SECBINFHSA-N 1 2 304.310 1.419 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000286286470 418573937 /nfs/dbraw/zinc/57/39/37/418573937.db2.gz IKCSBYAFEPLGOE-CHWSQXEVSA-N 1 2 306.366 1.598 20 5 DDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000291124820 222154150 /nfs/dbraw/zinc/15/41/50/222154150.db2.gz VWHSKZNBNSOUSL-UHFFFAOYSA-N 1 2 315.333 1.559 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092749 418787297 /nfs/dbraw/zinc/78/72/97/418787297.db2.gz ZRAIIPQQDYTWGJ-NXEZZACHSA-N 1 2 309.370 1.606 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092749 418787299 /nfs/dbraw/zinc/78/72/99/418787299.db2.gz ZRAIIPQQDYTWGJ-NXEZZACHSA-N 1 2 309.370 1.606 20 5 DDBDLO Cc1nn(C)c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000371559164 418800244 /nfs/dbraw/zinc/80/02/44/418800244.db2.gz FSNKRHKZHQGUAR-SECBINFHSA-N 1 2 304.310 1.337 20 5 DDBDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000411371934 418897525 /nfs/dbraw/zinc/89/75/25/418897525.db2.gz BFSSIRFHLNPMFR-MWLCHTKSSA-N 1 2 317.353 1.664 20 5 DDBDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000411371934 418897527 /nfs/dbraw/zinc/89/75/27/418897527.db2.gz BFSSIRFHLNPMFR-MWLCHTKSSA-N 1 2 317.353 1.664 20 5 DDBDLO COC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000429678740 420036435 /nfs/dbraw/zinc/03/64/35/420036435.db2.gz NVNVIZRGGKGUBH-UHFFFAOYSA-N 1 2 307.350 1.194 20 5 DDBDLO CC[N@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452943 420387848 /nfs/dbraw/zinc/38/78/48/420387848.db2.gz XXVAMOHPBIMJSQ-UHFFFAOYSA-N 1 2 316.155 1.665 20 5 DDBDLO CC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452943 420387854 /nfs/dbraw/zinc/38/78/54/420387854.db2.gz XXVAMOHPBIMJSQ-UHFFFAOYSA-N 1 2 316.155 1.665 20 5 DDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000492865880 420693087 /nfs/dbraw/zinc/69/30/87/420693087.db2.gz VUOLUELROYGEMT-ZZXKWVIFSA-N 1 2 301.306 1.559 20 5 DDBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454347912 420844048 /nfs/dbraw/zinc/84/40/48/420844048.db2.gz TYBCKMFMBDTFAO-UHFFFAOYSA-N 1 2 323.397 1.069 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493645463 420905895 /nfs/dbraw/zinc/90/58/95/420905895.db2.gz DUYITHQHOQRJFT-HYXAFXHYSA-N 1 2 304.281 1.797 20 5 DDBDLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000493698331 420918156 /nfs/dbraw/zinc/91/81/56/420918156.db2.gz SZLQJUWBQDAUOM-UPHRSURJSA-N 1 2 316.321 1.391 20 5 DDBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000450250695 421170714 /nfs/dbraw/zinc/17/07/14/421170714.db2.gz MTMYKJTWWMHVEU-HNNXBMFYSA-N 1 2 316.317 1.689 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000450543260 421208115 /nfs/dbraw/zinc/20/81/15/421208115.db2.gz XXHLERLEYDPWKU-GFCCVEGCSA-N 1 2 322.365 1.595 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000450543260 421208116 /nfs/dbraw/zinc/20/81/16/421208116.db2.gz XXHLERLEYDPWKU-GFCCVEGCSA-N 1 2 322.365 1.595 20 5 DDBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548084690 421398237 /nfs/dbraw/zinc/39/82/37/421398237.db2.gz LLCQNAXTAQMLRT-UHFFFAOYSA-N 1 2 321.362 1.168 20 5 DDBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548084690 421398240 /nfs/dbraw/zinc/39/82/40/421398240.db2.gz LLCQNAXTAQMLRT-UHFFFAOYSA-N 1 2 321.362 1.168 20 5 DDBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000517961169 421635826 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1.845 20 5 DDBDLO CCC(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000280020619 275949653 /nfs/dbraw/zinc/94/96/53/275949653.db2.gz JWZLNGQKEVFQGM-UHFFFAOYSA-N 1 2 307.350 1.302 20 5 DDBDLO CC[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301876139 279374910 /nfs/dbraw/zinc/37/49/10/279374910.db2.gz GTLLNDLFGDQXRW-UHFFFAOYSA-N 1 2 313.379 1.140 20 5 DDBDLO COC(=O)C1(O)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000354831412 298541904 /nfs/dbraw/zinc/54/19/04/298541904.db2.gz PEFUOKORWHCWBB-UHFFFAOYSA-N 1 2 312.297 1.234 20 5 DDBDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000362276584 300041804 /nfs/dbraw/zinc/04/18/04/300041804.db2.gz CUPSXDBUDQJETG-WCQYABFASA-N 1 2 310.350 1.575 20 5 DDBDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000362276584 300041805 /nfs/dbraw/zinc/04/18/05/300041805.db2.gz CUPSXDBUDQJETG-WCQYABFASA-N 1 2 310.350 1.575 20 5 DDBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000369358519 301171506 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C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000364804071 307051746 /nfs/dbraw/zinc/05/17/46/307051746.db2.gz GAVRDQIHIBYRTN-GHMZBOCLSA-N 1 2 305.334 1.609 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000367555704 307097436 /nfs/dbraw/zinc/09/74/36/307097436.db2.gz BZYOAKFLRMALRL-LBPRGKRZSA-N 1 2 315.333 1.245 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000367555704 307097437 /nfs/dbraw/zinc/09/74/37/307097437.db2.gz BZYOAKFLRMALRL-LBPRGKRZSA-N 1 2 315.333 1.245 20 5 DDBDLO Nc1c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000371437886 307149518 /nfs/dbraw/zinc/14/95/18/307149518.db2.gz BZBULVFXMGHACX-LLVKDONJSA-N 1 2 301.306 1.877 20 5 DDBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c3nonc31)CC2 ZINC000371707208 307156715 /nfs/dbraw/zinc/15/67/15/307156715.db2.gz NPORVCXZQJCSHQ-UHFFFAOYSA-N 1 2 300.278 1.656 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000374033603 307199821 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1.890 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000378485024 307288842 /nfs/dbraw/zinc/28/88/42/307288842.db2.gz YNCARHSBVGBJSG-GFCCVEGCSA-N 1 2 303.322 1.317 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000378485024 307288843 /nfs/dbraw/zinc/28/88/43/307288843.db2.gz YNCARHSBVGBJSG-GFCCVEGCSA-N 1 2 303.322 1.317 20 5 DDBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000496587189 307353047 /nfs/dbraw/zinc/35/30/47/307353047.db2.gz WFOPJWJRQNVLBR-CYBMUJFWSA-N 1 2 323.349 1.963 20 5 DDBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000496587189 307353048 /nfs/dbraw/zinc/35/30/48/307353048.db2.gz WFOPJWJRQNVLBR-CYBMUJFWSA-N 1 2 323.349 1.963 20 5 DDBDLO CCCc1n[nH]c(C(=O)NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000518879387 307446351 /nfs/dbraw/zinc/44/63/51/307446351.db2.gz XWFOHCBKPSROHN-UHFFFAOYSA-N 1 2 320.353 1.677 20 5 DDBDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000367437202 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C[C@H]1CN(C)C(=O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000782597686 698747178 /nfs/dbraw/zinc/74/71/78/698747178.db2.gz RPUDKNHPDQLHMZ-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000782597686 698747182 /nfs/dbraw/zinc/74/71/82/698747182.db2.gz RPUDKNHPDQLHMZ-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO COc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000789771746 699407525 /nfs/dbraw/zinc/40/75/25/699407525.db2.gz KBGFJJKGFNROMV-UHFFFAOYSA-N 1 2 305.290 1.736 20 5 DDBDLO CO[C@H]1CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644830 699881143 /nfs/dbraw/zinc/88/11/43/699881143.db2.gz LGGKODUWGKBELG-ZDUSSCGKSA-N 1 2 307.350 1.274 20 5 DDBDLO CO[C@H]1CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644830 699881146 /nfs/dbraw/zinc/88/11/46/699881146.db2.gz LGGKODUWGKBELG-ZDUSSCGKSA-N 1 2 307.350 1.274 20 5 DDBDLO Cc1nn(CN2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000795697012 699884592 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/nfs/dbraw/zinc/83/32/57/357833257.db2.gz LEZQPXYOHHOGIQ-NSHDSACASA-N 1 2 302.334 1.307 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000599160903 357833259 /nfs/dbraw/zinc/83/32/59/357833259.db2.gz LEZQPXYOHHOGIQ-NSHDSACASA-N 1 2 302.334 1.307 20 5 DDBDLO NC(=O)C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599187883 357844271 /nfs/dbraw/zinc/84/42/71/357844271.db2.gz REDZYOBHBUVKBD-LLVKDONJSA-N 1 2 316.317 1.224 20 5 DDBDLO COC(=O)c1cnc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000599259613 357865116 /nfs/dbraw/zinc/86/51/16/357865116.db2.gz OGSNRCBWMKUGCA-UHFFFAOYSA-N 1 2 316.317 1.803 20 5 DDBDLO COC(=O)c1cnc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000599259613 357865119 /nfs/dbraw/zinc/86/51/19/357865119.db2.gz OGSNRCBWMKUGCA-UHFFFAOYSA-N 1 2 316.317 1.803 20 5 DDBDLO Cc1nnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000602940280 359309127 /nfs/dbraw/zinc/30/91/27/359309127.db2.gz FDPNIXACKVXGDC-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO CC(C)(C(=O)NCCCCn1cc[nH+]c1)n1cc([N+](=O)[O-])cn1 ZINC000608839672 360249636 /nfs/dbraw/zinc/24/96/36/360249636.db2.gz SVRRIQBOALWRSG-UHFFFAOYSA-N 1 2 320.353 1.320 20 5 DDBDLO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193668372 201099000 /nfs/dbraw/zinc/09/90/00/201099000.db2.gz KOZYOPTYBUGAAH-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO CN(C)c1nccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000350260253 284175268 /nfs/dbraw/zinc/17/52/68/284175268.db2.gz ZIENFXAEIITZIB-UHFFFAOYSA-N 1 2 305.313 1.880 20 5 DDBDLO C[C@H](O)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000350473881 284202363 /nfs/dbraw/zinc/20/23/63/284202363.db2.gz GMNNWMFISNREKG-LBPRGKRZSA-N 1 2 309.366 1.610 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000268396959 284667020 /nfs/dbraw/zinc/66/70/20/284667020.db2.gz FFMGEBJLQCYPDE-AWEZNQCLSA-N 1 2 305.334 1.142 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000338391637 249940146 /nfs/dbraw/zinc/94/01/46/249940146.db2.gz AZUHWEORMCQOBS-UHFFFAOYSA-N 1 2 318.337 1.242 20 5 DDBDLO COC[C@@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000339000870 250242701 /nfs/dbraw/zinc/24/27/01/250242701.db2.gz OVOKMXBRLIFUCI-KBPBESRZSA-N 1 2 320.349 1.015 20 5 DDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339057639 250272700 /nfs/dbraw/zinc/27/27/00/250272700.db2.gz VLSUDYWFRGGMNP-GFCCVEGCSA-N 1 2 305.334 1.497 20 5 DDBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339057639 250272702 /nfs/dbraw/zinc/27/27/02/250272702.db2.gz VLSUDYWFRGGMNP-GFCCVEGCSA-N 1 2 305.334 1.497 20 5 DDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285575544 218519057 /nfs/dbraw/zinc/51/90/57/218519057.db2.gz ANSPCTMCLRATIP-WFASDCNBSA-N 1 2 319.361 1.530 20 5 DDBDLO C[C@H](CCO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268861755 207027971 /nfs/dbraw/zinc/02/79/71/207027971.db2.gz OYAKGZPFFHNQRN-LLVKDONJSA-N 1 2 318.333 1.529 20 5 DDBDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340909167 251270364 /nfs/dbraw/zinc/27/03/64/251270364.db2.gz NFJBNKYJSOOHNX-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340909167 251270368 /nfs/dbraw/zinc/27/03/68/251270368.db2.gz NFJBNKYJSOOHNX-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C1=CC[N@H+](C)CC1 ZINC000272961651 210346893 /nfs/dbraw/zinc/34/68/93/210346893.db2.gz NMMILADZYSMMKS-SNVBAGLBSA-N 1 2 305.334 1.681 20 5 DDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C1=CC[N@@H+](C)CC1 ZINC000272961651 210346895 /nfs/dbraw/zinc/34/68/95/210346895.db2.gz NMMILADZYSMMKS-SNVBAGLBSA-N 1 2 305.334 1.681 20 5 DDBDLO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C(C)(C)C[NH+]1CCOCC1 ZINC000414046797 224295622 /nfs/dbraw/zinc/29/56/22/224295622.db2.gz AKIJYXYMASWNKH-UHFFFAOYSA-N 1 2 324.381 1.116 20 5 DDBDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607717 407122340 /nfs/dbraw/zinc/12/23/40/407122340.db2.gz KKHGBBRWFKOJIE-SNVBAGLBSA-N 1 2 320.349 1.187 20 5 DDBDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607717 407122341 /nfs/dbraw/zinc/12/23/41/407122341.db2.gz KKHGBBRWFKOJIE-SNVBAGLBSA-N 1 2 320.349 1.187 20 5 DDBDLO COc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000051535264 407141324 /nfs/dbraw/zinc/14/13/24/407141324.db2.gz NWQXLQWXLRZVLN-LLVKDONJSA-N 1 2 314.363 1.222 20 5 DDBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000051535264 407141327 /nfs/dbraw/zinc/14/13/27/407141327.db2.gz NWQXLQWXLRZVLN-LLVKDONJSA-N 1 2 314.363 1.222 20 5 DDBDLO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066579392 407253805 /nfs/dbraw/zinc/25/38/05/407253805.db2.gz PYOHAEBMIPFLFW-UHFFFAOYSA-N 1 2 319.408 1.373 20 5 DDBDLO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066579392 407253808 /nfs/dbraw/zinc/25/38/08/407253808.db2.gz PYOHAEBMIPFLFW-UHFFFAOYSA-N 1 2 319.408 1.373 20 5 DDBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000106881582 407364884 /nfs/dbraw/zinc/36/48/84/407364884.db2.gz GLKYNZQVQYHKQL-CYBMUJFWSA-N 1 2 305.334 1.205 20 5 DDBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000106881582 407364886 /nfs/dbraw/zinc/36/48/86/407364886.db2.gz GLKYNZQVQYHKQL-CYBMUJFWSA-N 1 2 305.334 1.205 20 5 DDBDLO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000261955763 407688313 /nfs/dbraw/zinc/68/83/13/407688313.db2.gz XCPYCIQUBBLVLN-IUODEOHRSA-N 1 2 323.349 1.771 20 5 DDBDLO O=C1OCC[C@@]12CCC[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000186645378 407729015 /nfs/dbraw/zinc/72/90/15/407729015.db2.gz DCGBPCDGHFACSE-HNNXBMFYSA-N 1 2 306.318 1.755 20 5 DDBDLO O=C1OCC[C@@]12CCC[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000186645378 407729023 /nfs/dbraw/zinc/72/90/23/407729023.db2.gz DCGBPCDGHFACSE-HNNXBMFYSA-N 1 2 306.318 1.755 20 5 DDBDLO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000267193915 407784580 /nfs/dbraw/zinc/78/45/80/407784580.db2.gz KLWKHJIZAODDAB-UHFFFAOYSA-N 1 2 320.305 1.574 20 5 DDBDLO O=C(N[C@@H]1CCC[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000132632877 407795573 /nfs/dbraw/zinc/79/55/73/407795573.db2.gz NPAKUSLVIOXQLN-BXUZGUMPSA-N 1 2 316.317 1.424 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2[nH+]ccn2C)c1C ZINC000272320632 407864820 /nfs/dbraw/zinc/86/48/20/407864820.db2.gz AOFCDVDLOYZGRL-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180572203 407901018 /nfs/dbraw/zinc/90/10/18/407901018.db2.gz AEHSGQSUQBJFAW-UHFFFAOYSA-N 1 2 318.337 1.355 20 5 DDBDLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245441782 407984778 /nfs/dbraw/zinc/98/47/78/407984778.db2.gz HOWYQHPLAFPUSO-ZYHUDNBSSA-N 1 2 308.338 1.428 20 5 DDBDLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245441782 407984782 /nfs/dbraw/zinc/98/47/82/407984782.db2.gz HOWYQHPLAFPUSO-ZYHUDNBSSA-N 1 2 308.338 1.428 20 5 DDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nccn1C(F)F ZINC000174877832 407999322 /nfs/dbraw/zinc/99/93/22/407999322.db2.gz ICFXNVOXNWGFKV-UHFFFAOYSA-N 1 2 300.269 1.515 20 5 DDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nccn1C(F)F ZINC000174877832 407999327 /nfs/dbraw/zinc/99/93/27/407999327.db2.gz ICFXNVOXNWGFKV-UHFFFAOYSA-N 1 2 300.269 1.515 20 5 DDBDLO Nc1nc(N[C@H]2CCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000269871792 408453765 /nfs/dbraw/zinc/45/37/65/408453765.db2.gz NEQWJLYYOXQWDK-VIFPVBQESA-N 1 2 301.310 1.053 20 5 DDBDLO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184701089 408671383 /nfs/dbraw/zinc/67/13/83/408671383.db2.gz RUTIUFOMVMVAOK-UHFFFAOYSA-N 1 2 323.349 1.141 20 5 DDBDLO COc1cccc(NC[C@H](C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185338386 408798038 /nfs/dbraw/zinc/79/80/38/408798038.db2.gz IVYOLURAXPWVNZ-LBPRGKRZSA-N 1 2 308.382 1.651 20 5 DDBDLO CCC(=O)c1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000281397546 408884253 /nfs/dbraw/zinc/88/42/53/408884253.db2.gz GTDGRZPDJDJWDT-LBPRGKRZSA-N 1 2 321.377 1.690 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)n1 ZINC000286034222 408910808 /nfs/dbraw/zinc/91/08/08/408910808.db2.gz GSNMWQIKBWBTIO-UHFFFAOYSA-N 1 2 305.294 1.146 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000277658640 408986464 /nfs/dbraw/zinc/98/64/64/408986464.db2.gz WBLTVBFCZDLJSM-UHFFFAOYSA-N 1 2 304.306 1.609 20 5 DDBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292267149 409013574 /nfs/dbraw/zinc/01/35/74/409013574.db2.gz RTZUSHXLKLXLBE-LLVKDONJSA-N 1 2 316.379 1.071 20 5 DDBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292267149 409013577 /nfs/dbraw/zinc/01/35/77/409013577.db2.gz RTZUSHXLKLXLBE-LLVKDONJSA-N 1 2 316.379 1.071 20 5 DDBDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000277913285 409033707 /nfs/dbraw/zinc/03/37/07/409033707.db2.gz XMFMWFUBLWDWCN-ZDUSSCGKSA-N 1 2 312.391 1.994 20 5 DDBDLO 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CN(C)c1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c[nH+]1 ZINC000587159518 354880895 /nfs/dbraw/zinc/88/08/95/354880895.db2.gz RLUOSPODOHOVEF-UHFFFAOYSA-N 1 2 317.349 1.742 20 5 DDBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000332494312 235033827 /nfs/dbraw/zinc/03/38/27/235033827.db2.gz XWLFAKPVDCBGLB-UHFFFAOYSA-N 1 2 315.333 1.589 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494669434 235069597 /nfs/dbraw/zinc/06/95/97/235069597.db2.gz PBBPIDGUPDNDDM-GFCCVEGCSA-N 1 2 305.334 1.298 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494669434 235069599 /nfs/dbraw/zinc/06/95/99/235069599.db2.gz PBBPIDGUPDNDDM-GFCCVEGCSA-N 1 2 305.334 1.298 20 5 DDBDLO C[NH+]1CCC2(CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000590376376 355078144 /nfs/dbraw/zinc/07/81/44/355078144.db2.gz YOUGXDSJKGOHOI-UHFFFAOYSA-N 1 2 319.361 1.858 20 5 DDBDLO CC1(F)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590749960 355163475 /nfs/dbraw/zinc/16/34/75/355163475.db2.gz HCUAZFQVZADEGX-UHFFFAOYSA-N 1 2 304.281 1.965 20 5 DDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000590674721 355144453 /nfs/dbraw/zinc/14/44/53/355144453.db2.gz BMGUUIWOSSSULI-JTQLQIEISA-N 1 2 318.333 1.670 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565158466 304047108 /nfs/dbraw/zinc/04/71/08/304047108.db2.gz SAQOKCORTRTJKA-UHFFFAOYSA-N 1 2 303.322 1.346 20 5 DDBDLO COc1ccc(C[NH2+]Cc2cncnc2OC)cc1[N+](=O)[O-] ZINC000592363358 355567330 /nfs/dbraw/zinc/56/73/30/355567330.db2.gz XLMKFNWDZIUJOJ-UHFFFAOYSA-N 1 2 304.306 1.692 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CO1 ZINC000592726322 355670823 /nfs/dbraw/zinc/67/08/23/355670823.db2.gz ULGASASCGRPEGE-PWSUYJOCSA-N 1 2 316.317 1.688 20 5 DDBDLO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592570026 355632762 /nfs/dbraw/zinc/63/27/62/355632762.db2.gz JRZWEZVWVUDQDF-CYBMUJFWSA-N 1 2 305.334 1.705 20 5 DDBDLO CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000346569232 283127416 /nfs/dbraw/zinc/12/74/16/283127416.db2.gz XDAGACHWHCTYFM-LBPRGKRZSA-N 1 2 324.362 1.994 20 5 DDBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCn3nncc3C2)cc1 ZINC000594024400 356092491 /nfs/dbraw/zinc/09/24/91/356092491.db2.gz WFUORGKEGXWYJN-UHFFFAOYSA-N 1 2 303.322 1.471 20 5 DDBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCn3nncc3C2)cc1 ZINC000594024400 356092495 /nfs/dbraw/zinc/09/24/95/356092495.db2.gz WFUORGKEGXWYJN-UHFFFAOYSA-N 1 2 303.322 1.471 20 5 DDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594403219 356198699 /nfs/dbraw/zinc/19/86/99/356198699.db2.gz NMMRERSDGRKFHV-GARJFASQSA-N 1 2 310.354 1.150 20 5 DDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594403219 356198701 /nfs/dbraw/zinc/19/87/01/356198701.db2.gz NMMRERSDGRKFHV-GARJFASQSA-N 1 2 310.354 1.150 20 5 DDBDLO CC(C)(C)n1nnc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000594923739 356355889 /nfs/dbraw/zinc/35/58/89/356355889.db2.gz JGRPYISHMMHINL-UHFFFAOYSA-N 1 2 320.353 1.505 20 5 DDBDLO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000594963318 356364422 /nfs/dbraw/zinc/36/44/22/356364422.db2.gz ISXGFLLKGOLALH-KCPJHIHWSA-N 1 2 324.377 1.956 20 5 DDBDLO CCc1nnc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH]1 ZINC000595484312 356512757 /nfs/dbraw/zinc/51/27/57/356512757.db2.gz ZITONCNRBHOIGX-JTQLQIEISA-N 1 2 319.369 1.870 20 5 DDBDLO Cc1noc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000595466289 356504061 /nfs/dbraw/zinc/50/40/61/356504061.db2.gz JYCNUCQPVUYWFD-YGRLFVJLSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000595466289 356504065 /nfs/dbraw/zinc/50/40/65/356504065.db2.gz JYCNUCQPVUYWFD-YGRLFVJLSA-N 1 2 311.338 1.661 20 5 DDBDLO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1c[nH+]c[nH]1 ZINC000595595797 356567984 /nfs/dbraw/zinc/56/79/84/356567984.db2.gz ZEUHSTJZEOCDHI-UHFFFAOYSA-N 1 2 303.322 1.413 20 5 DDBDLO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1c[nH]c[nH+]1 ZINC000595595797 356567987 /nfs/dbraw/zinc/56/79/87/356567987.db2.gz ZEUHSTJZEOCDHI-UHFFFAOYSA-N 1 2 303.322 1.413 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1c[nH+]c[nH]1 ZINC000595595493 356568083 /nfs/dbraw/zinc/56/80/83/356568083.db2.gz WATCBYONABWVQB-SNVBAGLBSA-N 1 2 303.322 1.777 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1c[nH]c[nH+]1 ZINC000595595493 356568087 /nfs/dbraw/zinc/56/80/87/356568087.db2.gz WATCBYONABWVQB-SNVBAGLBSA-N 1 2 303.322 1.777 20 5 DDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COCCO1 ZINC000595736579 356628515 /nfs/dbraw/zinc/62/85/15/356628515.db2.gz MPRMWOHKDRIEMB-LLVKDONJSA-N 1 2 306.322 1.318 20 5 DDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1COCCO1 ZINC000595736579 356628516 /nfs/dbraw/zinc/62/85/16/356628516.db2.gz MPRMWOHKDRIEMB-LLVKDONJSA-N 1 2 306.322 1.318 20 5 DDBDLO O=c1[nH]ccc(N2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596061980 356757595 /nfs/dbraw/zinc/75/75/95/356757595.db2.gz RMWZHLPZDYUZOO-UHFFFAOYSA-N 1 2 315.333 1.413 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597995663 357411081 /nfs/dbraw/zinc/41/10/81/357411081.db2.gz NFRAEERAPNNQKU-WDEREUQCSA-N 1 2 322.365 1.016 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597995663 357411083 /nfs/dbraw/zinc/41/10/83/357411083.db2.gz NFRAEERAPNNQKU-WDEREUQCSA-N 1 2 322.365 1.016 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949981 357773155 /nfs/dbraw/zinc/77/31/55/357773155.db2.gz YSDYVOAOFGCCDP-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084753 357810485 /nfs/dbraw/zinc/81/04/85/357810485.db2.gz XCXXTGXTWZQUGK-AAEUAGOBSA-N 1 2 307.350 1.540 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084753 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324.337 1.056 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000599694267 358028852 /nfs/dbraw/zinc/02/88/52/358028852.db2.gz PHOFGSGTDBWQQP-NSHDSACASA-N 1 2 324.337 1.056 20 5 DDBDLO CO[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@](C)(CO)C1 ZINC000602963917 359327653 /nfs/dbraw/zinc/32/76/53/359327653.db2.gz KCCYMZSEXUCUBF-IINYFYTJSA-N 1 2 316.304 1.845 20 5 DDBDLO CO[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@](C)(CO)C1 ZINC000602963917 359327655 /nfs/dbraw/zinc/32/76/55/359327655.db2.gz KCCYMZSEXUCUBF-IINYFYTJSA-N 1 2 316.304 1.845 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000609150131 360266908 /nfs/dbraw/zinc/26/69/08/360266908.db2.gz POPBPBQBVUYATB-VIFPVBQESA-N 1 2 311.367 1.437 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000609150131 360266911 /nfs/dbraw/zinc/26/69/11/360266911.db2.gz POPBPBQBVUYATB-VIFPVBQESA-N 1 2 311.367 1.437 20 5 DDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610491360 360450371 /nfs/dbraw/zinc/45/03/71/360450371.db2.gz YDIGURUOTBFWTI-UHFFFAOYSA-N 1 2 304.262 1.019 20 5 DDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610491360 360450375 /nfs/dbraw/zinc/45/03/75/360450375.db2.gz YDIGURUOTBFWTI-UHFFFAOYSA-N 1 2 304.262 1.019 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000611191167 360655833 /nfs/dbraw/zinc/65/58/33/360655833.db2.gz VIQINXLGXYGTFR-UHFFFAOYSA-N 1 2 319.321 1.397 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(-n2c[nH+]c(CCCO)c2)c1 ZINC000611752875 360814602 /nfs/dbraw/zinc/81/46/02/360814602.db2.gz XBPPHICIACAKKF-UHFFFAOYSA-N 1 2 305.290 1.492 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193675519 201100727 /nfs/dbraw/zinc/10/07/27/201100727.db2.gz ODLHPDIZJNBFPZ-OAHLLOKOSA-N 1 2 308.334 1.465 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193675519 201100730 /nfs/dbraw/zinc/10/07/30/201100730.db2.gz ODLHPDIZJNBFPZ-OAHLLOKOSA-N 1 2 308.334 1.465 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+]2CCOCC2)n1 ZINC000359097123 299327428 /nfs/dbraw/zinc/32/74/28/299327428.db2.gz MDZBVGGBLYVKDV-OAHLLOKOSA-N 1 2 324.381 1.102 20 5 DDBDLO CCOC(=O)CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194651468 201268628 /nfs/dbraw/zinc/26/86/28/201268628.db2.gz JCEPPDHNMWFLKL-UHFFFAOYSA-N 1 2 309.322 1.418 20 5 DDBDLO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194651468 201268632 /nfs/dbraw/zinc/26/86/32/201268632.db2.gz JCEPPDHNMWFLKL-UHFFFAOYSA-N 1 2 309.322 1.418 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000619622702 364092204 /nfs/dbraw/zinc/09/22/04/364092204.db2.gz KXOFAFFOWQPTPB-ZWNOBZJWSA-N 1 2 315.333 1.182 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000619622702 364092212 /nfs/dbraw/zinc/09/22/12/364092212.db2.gz KXOFAFFOWQPTPB-ZWNOBZJWSA-N 1 2 315.333 1.182 20 5 DDBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000264942698 204288728 /nfs/dbraw/zinc/28/87/28/204288728.db2.gz IWFBIGHNNZLJIW-MNOVXSKESA-N 1 2 300.380 1.848 20 5 DDBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000264942698 204288731 /nfs/dbraw/zinc/28/87/31/204288731.db2.gz IWFBIGHNNZLJIW-MNOVXSKESA-N 1 2 300.380 1.848 20 5 DDBDLO COCc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282557635 217086924 /nfs/dbraw/zinc/08/69/24/217086924.db2.gz XYEDTJHWHPFLMW-UHFFFAOYSA-N 1 2 306.322 1.799 20 5 DDBDLO COCc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282557635 217086926 /nfs/dbraw/zinc/08/69/26/217086926.db2.gz XYEDTJHWHPFLMW-UHFFFAOYSA-N 1 2 306.322 1.799 20 5 DDBDLO C[C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268940029 207105171 /nfs/dbraw/zinc/10/51/71/207105171.db2.gz YXSYPRFRDDHTAF-SNVBAGLBSA-N 1 2 304.306 1.139 20 5 DDBDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060329874 184146052 /nfs/dbraw/zinc/14/60/52/184146052.db2.gz SQCGZEQWWFREJL-UHFFFAOYSA-N 1 2 323.349 1.727 20 5 DDBDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060329874 184146053 /nfs/dbraw/zinc/14/60/53/184146053.db2.gz SQCGZEQWWFREJL-UHFFFAOYSA-N 1 2 323.349 1.727 20 5 DDBDLO COC(=O)[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413243017 533101100 /nfs/dbraw/zinc/10/11/00/533101100.db2.gz YGPREHJVWZOBJN-AWEZNQCLSA-N 1 2 305.290 1.479 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ncn1 ZINC000297293816 291890400 /nfs/dbraw/zinc/89/04/00/291890400.db2.gz ADBJSQZICPDGDD-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO Cn1cc[nH+]c1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000271654583 209098539 /nfs/dbraw/zinc/09/85/39/209098539.db2.gz SVVJVPSGHVPOAI-UHFFFAOYSA-N 1 2 315.333 1.833 20 5 DDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCCn1cc[nH+]c1 ZINC000120545609 195187987 /nfs/dbraw/zinc/18/79/87/195187987.db2.gz WEPVUPLFVIXCMN-UHFFFAOYSA-N 1 2 303.322 1.333 20 5 DDBDLO CC[C@@H](CO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353671463 285862237 /nfs/dbraw/zinc/86/22/37/285862237.db2.gz KNEXQMXLNNSHQZ-JSGCOSHPSA-N 1 2 304.350 1.778 20 5 DDBDLO C[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000569521442 304359980 /nfs/dbraw/zinc/35/99/80/304359980.db2.gz OWBJKIQYNARYJG-OLZOCXBDSA-N 1 2 321.377 1.535 20 5 DDBDLO C[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000569521442 304359982 /nfs/dbraw/zinc/35/99/82/304359982.db2.gz OWBJKIQYNARYJG-OLZOCXBDSA-N 1 2 321.377 1.535 20 5 DDBDLO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000102470764 407323151 /nfs/dbraw/zinc/32/31/51/407323151.db2.gz FIECHHMWDQTPEW-UHFFFAOYSA-N 1 2 319.321 1.311 20 5 DDBDLO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122594919 407306328 /nfs/dbraw/zinc/30/63/28/407306328.db2.gz FTDVMKAVXZDWOZ-UHFFFAOYSA-N 1 2 300.746 1.412 20 5 DDBDLO COC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000178858208 407630895 /nfs/dbraw/zinc/63/08/95/407630895.db2.gz GKOCSZPRDNZDML-NSHDSACASA-N 1 2 323.305 1.888 20 5 DDBDLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000178858208 407630901 /nfs/dbraw/zinc/63/09/01/407630901.db2.gz GKOCSZPRDNZDML-NSHDSACASA-N 1 2 323.305 1.888 20 5 DDBDLO O=C(C[N@H+]1CC[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266892767 407666248 /nfs/dbraw/zinc/66/62/48/407666248.db2.gz DDZCLPSCKXPBKN-VIFPVBQESA-N 1 2 313.741 1.501 20 5 DDBDLO O=C(C[N@@H+]1CC[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266892767 407666250 /nfs/dbraw/zinc/66/62/50/407666250.db2.gz DDZCLPSCKXPBKN-VIFPVBQESA-N 1 2 313.741 1.501 20 5 DDBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000152770844 407685724 /nfs/dbraw/zinc/68/57/24/407685724.db2.gz KXVABLJTQKLTHH-CYBMUJFWSA-N 1 2 312.329 1.999 20 5 DDBDLO COCCCNC(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000121426874 408211505 /nfs/dbraw/zinc/21/15/05/408211505.db2.gz GKAWAXLKCGRPOL-VMPITWQZSA-N 1 2 321.377 1.693 20 5 DDBDLO COCCCNC(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000121426874 408211511 /nfs/dbraw/zinc/21/15/11/408211511.db2.gz GKAWAXLKCGRPOL-VMPITWQZSA-N 1 2 321.377 1.693 20 5 DDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000183230881 408359415 /nfs/dbraw/zinc/35/94/15/408359415.db2.gz OFYCDIOHPXQEPD-AWEZNQCLSA-N 1 2 312.391 1.912 20 5 DDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000183230881 408359421 /nfs/dbraw/zinc/35/94/21/408359421.db2.gz OFYCDIOHPXQEPD-AWEZNQCLSA-N 1 2 312.391 1.912 20 5 DDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000269629492 408366944 /nfs/dbraw/zinc/36/69/44/408366944.db2.gz FCELAXCWUOOAML-ZDUSSCGKSA-N 1 2 315.320 1.511 20 5 DDBDLO CCOc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000172993069 162316197 /nfs/dbraw/zinc/31/61/97/162316197.db2.gz LMDLSZHQMPSLPV-UHFFFAOYSA-N 1 2 304.306 1.689 20 5 DDBDLO C[C@H]([C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000264338967 408452480 /nfs/dbraw/zinc/45/24/80/408452480.db2.gz YDKPRLNUKQAACI-WDEREUQCSA-N 1 2 322.365 1.215 20 5 DDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](C)[NH+]1CCOCC1 ZINC000191221376 408391400 /nfs/dbraw/zinc/39/14/00/408391400.db2.gz RPXWZHUHGHUKBC-MNOVXSKESA-N 1 2 322.365 1.016 20 5 DDBDLO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000247171992 408422057 /nfs/dbraw/zinc/42/20/57/408422057.db2.gz ZJDCKBBZRMVTCU-CMPLNLGQSA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000247171992 408422062 /nfs/dbraw/zinc/42/20/62/408422062.db2.gz ZJDCKBBZRMVTCU-CMPLNLGQSA-N 1 2 307.350 1.713 20 5 DDBDLO CC[C@](C)([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=O ZINC000177136190 408531640 /nfs/dbraw/zinc/53/16/40/408531640.db2.gz HTGILXTZTWQJIR-AWEZNQCLSA-N 1 2 319.321 1.388 20 5 DDBDLO Cc1ccc(NCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])[nH+]c1 ZINC000161777143 408637690 /nfs/dbraw/zinc/63/76/90/408637690.db2.gz XGLDBXYDSUILBW-UHFFFAOYSA-N 1 2 304.310 1.253 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265625100 408716976 /nfs/dbraw/zinc/71/69/76/408716976.db2.gz CRTKXHGKODBHIE-ZWNOBZJWSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265625100 408716980 /nfs/dbraw/zinc/71/69/80/408716980.db2.gz CRTKXHGKODBHIE-ZWNOBZJWSA-N 1 2 320.349 1.084 20 5 DDBDLO Cn1ncnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177681305 408682094 /nfs/dbraw/zinc/68/20/94/408682094.db2.gz BGMUFYFEVZTWCC-UHFFFAOYSA-N 1 2 313.277 1.161 20 5 DDBDLO Cc1ccc(C[N@H+](C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000162343949 408691459 /nfs/dbraw/zinc/69/14/59/408691459.db2.gz WJLSHWYGNQFJSO-UHFFFAOYSA-N 1 2 307.350 1.194 20 5 DDBDLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000162343949 408691465 /nfs/dbraw/zinc/69/14/65/408691465.db2.gz WJLSHWYGNQFJSO-UHFFFAOYSA-N 1 2 307.350 1.194 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000178000906 408754044 /nfs/dbraw/zinc/75/40/44/408754044.db2.gz MLKOVDYZEDJMIM-OAHLLOKOSA-N 1 2 323.349 1.389 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000178000906 408754049 /nfs/dbraw/zinc/75/40/49/408754049.db2.gz MLKOVDYZEDJMIM-OAHLLOKOSA-N 1 2 323.349 1.389 20 5 DDBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277585586 408971671 /nfs/dbraw/zinc/97/16/71/408971671.db2.gz WFPDXEJGWKHLKS-QKVFXAPYSA-N 1 2 312.391 1.674 20 5 DDBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277585586 408971676 /nfs/dbraw/zinc/97/16/76/408971676.db2.gz WFPDXEJGWKHLKS-QKVFXAPYSA-N 1 2 312.391 1.674 20 5 DDBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)S1 ZINC000287220163 409006582 /nfs/dbraw/zinc/00/65/82/409006582.db2.gz ISOLKIPTYLNDHR-JTQLQIEISA-N 1 2 321.406 1.790 20 5 DDBDLO Cc1c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000283975097 409250261 /nfs/dbraw/zinc/25/02/61/409250261.db2.gz HDCOEIBKMWKGDU-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000283975097 409250263 /nfs/dbraw/zinc/25/02/63/409250263.db2.gz HDCOEIBKMWKGDU-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO CCS(=O)(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285410178 409434437 /nfs/dbraw/zinc/43/44/37/409434437.db2.gz USKQRIFGTJYUJI-UHFFFAOYSA-N 1 2 300.380 1.504 20 5 DDBDLO CCS(=O)(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285410178 409434439 /nfs/dbraw/zinc/43/44/39/409434439.db2.gz USKQRIFGTJYUJI-UHFFFAOYSA-N 1 2 300.380 1.504 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000332389531 410118988 /nfs/dbraw/zinc/11/89/88/410118988.db2.gz LFIRMZOQGVYNQG-UHFFFAOYSA-N 1 2 317.349 1.356 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000355092031 410307192 /nfs/dbraw/zinc/30/71/92/410307192.db2.gz VXLFMPKCWBUFFI-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000355092031 410307196 /nfs/dbraw/zinc/30/71/96/410307196.db2.gz VXLFMPKCWBUFFI-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCn3ncnc3C2)c2c(c1)COCO2 ZINC000351876541 410311841 /nfs/dbraw/zinc/31/18/41/410311841.db2.gz DYZDCGIBRGRFNO-UHFFFAOYSA-N 1 2 317.305 1.069 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCn3ncnc3C2)c2c(c1)COCO2 ZINC000351876541 410311847 /nfs/dbraw/zinc/31/18/47/410311847.db2.gz DYZDCGIBRGRFNO-UHFFFAOYSA-N 1 2 317.305 1.069 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355518034 410558361 /nfs/dbraw/zinc/55/83/61/410558361.db2.gz YUPAEZJFTWXDAR-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355518034 410558371 /nfs/dbraw/zinc/55/83/71/410558371.db2.gz YUPAEZJFTWXDAR-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c[nH]2)cc1SC ZINC000359685364 410814226 /nfs/dbraw/zinc/81/42/26/410814226.db2.gz SUMHJQKJSSJLBY-UHFFFAOYSA-N 1 2 322.346 1.978 20 5 DDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH]c[nH+]2)cc1SC ZINC000359685364 410814234 /nfs/dbraw/zinc/81/42/34/410814234.db2.gz SUMHJQKJSSJLBY-UHFFFAOYSA-N 1 2 322.346 1.978 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330617188 410830779 /nfs/dbraw/zinc/83/07/79/410830779.db2.gz FPXIQCIKHSBPGG-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330617188 410830783 /nfs/dbraw/zinc/83/07/83/410830783.db2.gz FPXIQCIKHSBPGG-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@]1(CO)CCOC1 ZINC000359787047 410879917 /nfs/dbraw/zinc/87/99/17/410879917.db2.gz CDBIFNQEARKMDQ-OAHLLOKOSA-N 1 2 324.333 1.045 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@]1(CO)CCOC1 ZINC000359787047 410879925 /nfs/dbraw/zinc/87/99/25/410879925.db2.gz CDBIFNQEARKMDQ-OAHLLOKOSA-N 1 2 324.333 1.045 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000348305222 410909884 /nfs/dbraw/zinc/90/98/84/410909884.db2.gz ODNCHWHVIPOHFF-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000348305222 410909889 /nfs/dbraw/zinc/90/98/89/410909889.db2.gz ODNCHWHVIPOHFF-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccnn1C ZINC000348368001 410937639 /nfs/dbraw/zinc/93/76/39/410937639.db2.gz KIEATXJMVDPJPZ-NSHDSACASA-N 1 2 317.349 1.787 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccnn1C ZINC000348368001 410937644 /nfs/dbraw/zinc/93/76/44/410937644.db2.gz KIEATXJMVDPJPZ-NSHDSACASA-N 1 2 317.349 1.787 20 5 DDBDLO CCc1nnc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1C ZINC000373583698 418441980 /nfs/dbraw/zinc/44/19/80/418441980.db2.gz JVADXLRONWUXFZ-NSHDSACASA-N 1 2 319.369 1.319 20 5 DDBDLO CCc1nnc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1C ZINC000373583698 418441982 /nfs/dbraw/zinc/44/19/82/418441982.db2.gz JVADXLRONWUXFZ-NSHDSACASA-N 1 2 319.369 1.319 20 5 DDBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000373034219 418922836 /nfs/dbraw/zinc/92/28/36/418922836.db2.gz YQTPPTROOLONNW-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000373034219 418922837 /nfs/dbraw/zinc/92/28/37/418922837.db2.gz YQTPPTROOLONNW-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO O=C(C[N@@H+]1CC[C@]12CCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000421016392 419452490 /nfs/dbraw/zinc/45/24/90/419452490.db2.gz IZSAXTGKRWBYGI-MRXNPFEDSA-N 1 2 317.345 1.349 20 5 DDBDLO O=C(C[N@H+]1CC[C@]12CCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000421016392 419452492 /nfs/dbraw/zinc/45/24/92/419452492.db2.gz IZSAXTGKRWBYGI-MRXNPFEDSA-N 1 2 317.345 1.349 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000428067471 419807329 /nfs/dbraw/zinc/80/73/29/419807329.db2.gz ALYYJSITRBKDPY-CQSZACIVSA-N 1 2 323.349 1.141 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000428067471 419807335 /nfs/dbraw/zinc/80/73/35/419807335.db2.gz ALYYJSITRBKDPY-CQSZACIVSA-N 1 2 323.349 1.141 20 5 DDBDLO Nc1c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(F)cc1[N+](=O)[O-] ZINC000428344628 419851280 /nfs/dbraw/zinc/85/12/80/419851280.db2.gz BSJITPQLVVEELJ-SECBINFHSA-N 1 2 319.296 1.257 20 5 DDBDLO Cc1cc(OCC(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000431636997 229048273 /nfs/dbraw/zinc/04/82/73/229048273.db2.gz XZNWSIHIGPWPAS-UHFFFAOYSA-N 1 2 304.306 1.332 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000430200506 420090453 /nfs/dbraw/zinc/09/04/53/420090453.db2.gz HBIQGFBPPNBNPK-FVINQWEUSA-N 1 2 300.380 1.802 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000430200506 420090457 /nfs/dbraw/zinc/09/04/57/420090457.db2.gz HBIQGFBPPNBNPK-FVINQWEUSA-N 1 2 300.380 1.802 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CCO1 ZINC000420605740 420328782 /nfs/dbraw/zinc/32/87/82/420328782.db2.gz BFJUYSPUWYUVIS-LLVKDONJSA-N 1 2 322.365 1.216 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CCO1 ZINC000420605740 420328785 /nfs/dbraw/zinc/32/87/85/420328785.db2.gz BFJUYSPUWYUVIS-LLVKDONJSA-N 1 2 322.365 1.216 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443738763 230026886 /nfs/dbraw/zinc/02/68/86/230026886.db2.gz MIKDKSKJRXPSPG-UHFFFAOYSA-N 1 2 319.770 1.232 20 5 DDBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785924 230028881 /nfs/dbraw/zinc/02/88/81/230028881.db2.gz YOOSZGKISMSRRK-NSHDSACASA-N 1 2 313.379 1.061 20 5 DDBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785924 230028884 /nfs/dbraw/zinc/02/88/84/230028884.db2.gz YOOSZGKISMSRRK-NSHDSACASA-N 1 2 313.379 1.061 20 5 DDBDLO Cn1c[nH+]cc1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000439559064 420523800 /nfs/dbraw/zinc/52/38/00/420523800.db2.gz AUYFVRVAGKWXCF-UHFFFAOYSA-N 1 2 311.301 1.600 20 5 DDBDLO C[C@@H]1C[N@H+](CCO)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000450954595 420568332 /nfs/dbraw/zinc/56/83/32/420568332.db2.gz NMWDZNFXXDZANG-SECBINFHSA-N 1 2 300.746 1.146 20 5 DDBDLO C[C@@H]1C[N@@H+](CCO)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000450954595 420568336 /nfs/dbraw/zinc/56/83/36/420568336.db2.gz NMWDZNFXXDZANG-SECBINFHSA-N 1 2 300.746 1.146 20 5 DDBDLO C[C@H](O)C[C@H](C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808612 420803462 /nfs/dbraw/zinc/80/34/62/420803462.db2.gz VUTRJCYNJLSXBH-STQMWFEESA-N 1 2 323.393 1.998 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216161 421124033 /nfs/dbraw/zinc/12/40/33/421124033.db2.gz NGVSXXJGTZCNKE-OKILXGFUSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216161 421124036 /nfs/dbraw/zinc/12/40/36/421124036.db2.gz NGVSXXJGTZCNKE-OKILXGFUSA-N 1 2 319.361 1.496 20 5 DDBDLO COC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450361379 421188353 /nfs/dbraw/zinc/18/83/53/421188353.db2.gz NMNGOBYITLKFOU-SNVBAGLBSA-N 1 2 304.306 1.545 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000523051822 421230140 /nfs/dbraw/zinc/23/01/40/421230140.db2.gz OAWSSHKBBGDINE-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000523051822 421230142 /nfs/dbraw/zinc/23/01/42/421230142.db2.gz OAWSSHKBBGDINE-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1nn(C)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000551941066 421557520 /nfs/dbraw/zinc/55/75/20/421557520.db2.gz DAUQKONJBHUBHM-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000544512533 421845446 /nfs/dbraw/zinc/84/54/46/421845446.db2.gz OXYRNEKQDSOKHQ-RKDXNWHRSA-N 1 2 319.321 1.964 20 5 DDBDLO COCCCNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605379 263334091 /nfs/dbraw/zinc/33/40/91/263334091.db2.gz RBRBKTSBACWLJR-LBPRGKRZSA-N 1 2 321.377 1.494 20 5 DDBDLO COCCCNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605379 263334093 /nfs/dbraw/zinc/33/40/93/263334093.db2.gz RBRBKTSBACWLJR-LBPRGKRZSA-N 1 2 321.377 1.494 20 5 DDBDLO C[C@H](O)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341635468 271147715 /nfs/dbraw/zinc/14/77/15/271147715.db2.gz RDQFXAQHJGTQIC-QWRGUYRKSA-N 1 2 318.333 1.670 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344437136 272026461 /nfs/dbraw/zinc/02/64/61/272026461.db2.gz IJIOPUPGGAGSSP-UHFFFAOYSA-N 1 2 311.313 1.138 20 5 DDBDLO Cc1c(Br)c(N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000310665901 280198261 /nfs/dbraw/zinc/19/82/61/280198261.db2.gz GWERTNWYIVONGM-UHFFFAOYSA-N 1 2 315.171 1.813 20 5 DDBDLO CCOC(=O)c1cc(C(=O)NCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000114124720 281073035 /nfs/dbraw/zinc/07/30/35/281073035.db2.gz IVGJBYHNXGEDGY-UHFFFAOYSA-N 1 2 318.289 1.425 20 5 DDBDLO NC(=O)c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000090008621 295179741 /nfs/dbraw/zinc/17/97/41/295179741.db2.gz WFUNMHNHVMWKHV-AWEZNQCLSA-N 1 2 305.334 1.305 20 5 DDBDLO NC(=O)c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000090008621 295179743 /nfs/dbraw/zinc/17/97/43/295179743.db2.gz WFUNMHNHVMWKHV-AWEZNQCLSA-N 1 2 305.334 1.305 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO ZINC000354018875 298341219 /nfs/dbraw/zinc/34/12/19/298341219.db2.gz SDMIOAYMKOXOBO-LLVKDONJSA-N 1 2 322.283 1.702 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCC(F)(F)F)C[C@@H](O)CO ZINC000354018875 298341222 /nfs/dbraw/zinc/34/12/22/298341222.db2.gz SDMIOAYMKOXOBO-LLVKDONJSA-N 1 2 322.283 1.702 20 5 DDBDLO CC1(C)C[NH+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000573989041 304626665 /nfs/dbraw/zinc/62/66/65/304626665.db2.gz FGPQBZCAXJJLRU-UHFFFAOYSA-N 1 2 303.322 1.751 20 5 DDBDLO COc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000370342024 301320047 /nfs/dbraw/zinc/32/00/47/301320047.db2.gz SCMJLWXQYHEDQG-JTQLQIEISA-N 1 2 316.317 1.614 20 5 DDBDLO COc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000370342024 301320048 /nfs/dbraw/zinc/32/00/48/301320048.db2.gz SCMJLWXQYHEDQG-JTQLQIEISA-N 1 2 316.317 1.614 20 5 DDBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000371993421 301516997 /nfs/dbraw/zinc/51/69/97/301516997.db2.gz STESJRKFPZAWGE-NWDGAFQWSA-N 1 2 323.349 1.561 20 5 DDBDLO Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[nH+]1 ZINC000377718088 302218645 /nfs/dbraw/zinc/21/86/45/302218645.db2.gz JFPUNWWYLPMSHE-XQQFMLRXSA-N 1 2 304.350 1.458 20 5 DDBDLO CCc1nnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH]1 ZINC000365124527 307059618 /nfs/dbraw/zinc/05/96/18/307059618.db2.gz OVQDUNWOZGUEDR-UHFFFAOYSA-N 1 2 305.342 1.309 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000373205760 307181457 /nfs/dbraw/zinc/18/14/57/307181457.db2.gz ROKYVSCPPHVODC-LBPRGKRZSA-N 1 2 318.293 1.542 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000373205760 307181458 /nfs/dbraw/zinc/18/14/58/307181458.db2.gz ROKYVSCPPHVODC-LBPRGKRZSA-N 1 2 318.293 1.542 20 5 DDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000373385382 307186720 /nfs/dbraw/zinc/18/67/20/307186720.db2.gz UDIDFLBBIXWVRO-GFCCVEGCSA-N 1 2 322.346 1.844 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000376544874 307246605 /nfs/dbraw/zinc/24/66/05/307246605.db2.gz FUBMXRZWYYPMDX-LBPRGKRZSA-N 1 2 324.333 1.238 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000376544874 307246606 /nfs/dbraw/zinc/24/66/06/307246606.db2.gz FUBMXRZWYYPMDX-LBPRGKRZSA-N 1 2 324.333 1.238 20 5 DDBDLO CCn1cc[nH+]c1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000395414582 307296247 /nfs/dbraw/zinc/29/62/47/307296247.db2.gz YVYTWMMJBXHSCX-UHFFFAOYSA-N 1 2 324.362 1.827 20 5 DDBDLO Cc1c(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000567052330 308069127 /nfs/dbraw/zinc/06/91/27/308069127.db2.gz WFSYKLOOLKVIQV-CYBMUJFWSA-N 1 2 314.345 1.979 20 5 DDBDLO CCc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000567467174 308081432 /nfs/dbraw/zinc/08/14/32/308081432.db2.gz RIJIKSWGURAGSF-UHFFFAOYSA-N 1 2 313.379 1.093 20 5 DDBDLO [NH3+]C1CCC(OCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000576986026 308354535 /nfs/dbraw/zinc/35/45/35/308354535.db2.gz FMDRTVQLIPQWBP-UHFFFAOYSA-N 1 2 309.322 1.525 20 5 DDBDLO COc1c(N)[nH+]cnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000584480345 337348605 /nfs/dbraw/zinc/34/86/05/337348605.db2.gz YUMGJQBUHBGUNU-UHFFFAOYSA-N 1 2 319.325 1.014 20 5 DDBDLO COc1c(N)nc[nH+]c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000584480345 337348606 /nfs/dbraw/zinc/34/86/06/337348606.db2.gz YUMGJQBUHBGUNU-UHFFFAOYSA-N 1 2 319.325 1.014 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOc3ccc(O)cc3C2)c1 ZINC000595843364 501082852 /nfs/dbraw/zinc/08/28/52/501082852.db2.gz AGVOATQVAUHSGI-UHFFFAOYSA-N 1 2 304.306 1.392 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOc3ccc(O)cc3C2)c1 ZINC000595843364 501082856 /nfs/dbraw/zinc/08/28/56/501082856.db2.gz AGVOATQVAUHSGI-UHFFFAOYSA-N 1 2 304.306 1.392 20 5 DDBDLO CC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000292896128 526424834 /nfs/dbraw/zinc/42/48/34/526424834.db2.gz AAWOYWLESRAKPU-UHFFFAOYSA-N 1 2 305.334 1.332 20 5 DDBDLO CC(C)(CCC(=O)N1CC[NH+](Cc2ccccn2)CC1)[N+](=O)[O-] ZINC000294441964 527002299 /nfs/dbraw/zinc/00/22/99/527002299.db2.gz OKBXESYLKQUTSD-UHFFFAOYSA-N 1 2 320.393 1.561 20 5 DDBDLO CCCn1c(C)nnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331950840 528814356 /nfs/dbraw/zinc/81/43/56/528814356.db2.gz IBZXYAGLVMZUIF-UHFFFAOYSA-N 1 2 316.365 1.858 20 5 DDBDLO CCCn1c(C)nnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331950840 528814361 /nfs/dbraw/zinc/81/43/61/528814361.db2.gz IBZXYAGLVMZUIF-UHFFFAOYSA-N 1 2 316.365 1.858 20 5 DDBDLO CC[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000119524923 696681989 /nfs/dbraw/zinc/68/19/89/696681989.db2.gz CWHOMFHFGMNYHZ-SNVBAGLBSA-N 1 2 303.318 1.880 20 5 DDBDLO CC[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000119524923 696681990 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DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000776278521 698091542 /nfs/dbraw/zinc/09/15/42/698091542.db2.gz UBSKGYJPAALBID-PMPSAXMXSA-N 1 2 322.361 1.508 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000776278521 698091546 /nfs/dbraw/zinc/09/15/46/698091546.db2.gz UBSKGYJPAALBID-PMPSAXMXSA-N 1 2 322.361 1.508 20 5 DDBDLO O=C1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000776586228 698122160 /nfs/dbraw/zinc/12/21/60/698122160.db2.gz LAIOXHQMVLOSEX-KKUMJFAQSA-N 1 2 319.361 1.371 20 5 DDBDLO O=C1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000776586228 698122161 /nfs/dbraw/zinc/12/21/61/698122161.db2.gz LAIOXHQMVLOSEX-KKUMJFAQSA-N 1 2 319.361 1.371 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000729160741 699472152 /nfs/dbraw/zinc/47/21/52/699472152.db2.gz CNNDBWZBLFVFSF-NSHDSACASA-N 1 2 324.406 1.602 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000729160741 699472154 /nfs/dbraw/zinc/47/21/54/699472154.db2.gz CNNDBWZBLFVFSF-NSHDSACASA-N 1 2 324.406 1.602 20 5 DDBDLO C[C@@]1(O)CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000794673191 699823242 /nfs/dbraw/zinc/82/32/42/699823242.db2.gz QVFORJROONXAFJ-OAHLLOKOSA-N 1 2 321.333 1.697 20 5 DDBDLO C[C@@]1(O)CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000794673191 699823245 /nfs/dbraw/zinc/82/32/45/699823245.db2.gz QVFORJROONXAFJ-OAHLLOKOSA-N 1 2 321.333 1.697 20 5 DDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763332915 700934570 /nfs/dbraw/zinc/93/45/70/700934570.db2.gz PSGFDDZAEANOHD-LLVKDONJSA-N 1 2 315.329 1.880 20 5 DDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763332915 700934572 /nfs/dbraw/zinc/93/45/72/700934572.db2.gz PSGFDDZAEANOHD-LLVKDONJSA-N 1 2 315.329 1.880 20 5 DDBDLO CC[N@H+](C[C@H](C)OC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000812301695 702143783 /nfs/dbraw/zinc/14/37/83/702143783.db2.gz KUDOPPYQZHCTOV-QMMMGPOBSA-N 1 2 321.175 1.868 20 5 DDBDLO CC[N@@H+](C[C@H](C)OC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000812301695 702143788 /nfs/dbraw/zinc/14/37/88/702143788.db2.gz KUDOPPYQZHCTOV-QMMMGPOBSA-N 1 2 321.175 1.868 20 5 DDBDLO CCOCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853506225 704252919 /nfs/dbraw/zinc/25/29/19/704252919.db2.gz WWWDACMNFQDQJC-UHFFFAOYSA-N 1 2 305.338 1.779 20 5 DDBDLO CCOCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853506225 704252920 /nfs/dbraw/zinc/25/29/20/704252920.db2.gz WWWDACMNFQDQJC-UHFFFAOYSA-N 1 2 305.338 1.779 20 5 DDBDLO Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000825640857 705707359 /nfs/dbraw/zinc/70/73/59/705707359.db2.gz MDGFPPLANBUMDY-ZDUSSCGKSA-N 1 2 314.345 1.979 20 5 DDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750241 706198666 /nfs/dbraw/zinc/19/86/66/706198666.db2.gz LDDBAOHFCIROEI-NEPJUHHUSA-N 1 2 320.267 1.541 20 5 DDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750241 706198670 /nfs/dbraw/zinc/19/86/70/706198670.db2.gz LDDBAOHFCIROEI-NEPJUHHUSA-N 1 2 320.267 1.541 20 5 DDBDLO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000878084458 706287991 /nfs/dbraw/zinc/28/79/91/706287991.db2.gz TTXVDLRSDLYIFA-SNVBAGLBSA-N 1 2 304.306 1.866 20 5 DDBDLO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000878084458 706287993 /nfs/dbraw/zinc/28/79/93/706287993.db2.gz TTXVDLRSDLYIFA-SNVBAGLBSA-N 1 2 304.306 1.866 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880581103 707025742 /nfs/dbraw/zinc/02/57/42/707025742.db2.gz WPWVSWRUGHOGKO-CQSZACIVSA-N 1 2 322.361 1.664 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880581103 707025744 /nfs/dbraw/zinc/02/57/44/707025744.db2.gz WPWVSWRUGHOGKO-CQSZACIVSA-N 1 2 322.361 1.664 20 5 DDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351396 707596735 /nfs/dbraw/zinc/59/67/35/707596735.db2.gz RQZXJOFLJBQHOP-WDEREUQCSA-N 1 2 310.329 1.428 20 5 DDBDLO O=[N+]([O-])c1ncccc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000886026568 708684056 /nfs/dbraw/zinc/68/40/56/708684056.db2.gz YKNNQKSCJFFEAK-HNNXBMFYSA-N 1 2 320.393 1.677 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000886202881 708714045 /nfs/dbraw/zinc/71/40/45/708714045.db2.gz HBWBJVUHPXEQEB-GHMZBOCLSA-N 1 2 319.283 1.983 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000886202881 708714047 /nfs/dbraw/zinc/71/40/47/708714047.db2.gz HBWBJVUHPXEQEB-GHMZBOCLSA-N 1 2 319.283 1.983 20 5 DDBDLO CCn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000899462470 709087985 /nfs/dbraw/zinc/08/79/85/709087985.db2.gz YZUHGTURAWVBAS-UHFFFAOYSA-N 1 2 305.342 1.240 20 5 DDBDLO CN1CCO[C@@H]([C@@H]([NH2+]CC[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000905188795 711963612 /nfs/dbraw/zinc/96/36/12/711963612.db2.gz GKOSDPHIOXSJIJ-KGLIPLIRSA-N 1 2 313.785 1.578 20 5 DDBDLO C[N@@H+]1CCO[C@@H]([C@@H](NCC[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000905188795 711963613 /nfs/dbraw/zinc/96/36/13/711963613.db2.gz GKOSDPHIOXSJIJ-KGLIPLIRSA-N 1 2 313.785 1.578 20 5 DDBDLO C[N@H+]1CCO[C@@H]([C@@H](NCC[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000905188795 711963614 /nfs/dbraw/zinc/96/36/14/711963614.db2.gz GKOSDPHIOXSJIJ-KGLIPLIRSA-N 1 2 313.785 1.578 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C1(O)CCC1 ZINC000929864108 713709339 /nfs/dbraw/zinc/70/93/39/713709339.db2.gz UAQOMIUGMBDDJG-ZDUSSCGKSA-N 1 2 314.769 1.956 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C1(O)CCC1 ZINC000929864108 713709343 /nfs/dbraw/zinc/70/93/43/713709343.db2.gz UAQOMIUGMBDDJG-ZDUSSCGKSA-N 1 2 314.769 1.956 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c1C ZINC000921414008 713762376 /nfs/dbraw/zinc/76/23/76/713762376.db2.gz ZRPHSYMJDDLRSO-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c1C ZINC000921414008 713762378 /nfs/dbraw/zinc/76/23/78/713762378.db2.gz ZRPHSYMJDDLRSO-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO CCn1c[nH+]c2c1CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000933257652 714548334 /nfs/dbraw/zinc/54/83/34/714548334.db2.gz LNLOAESZQSKADP-MRXNPFEDSA-N 1 2 316.361 1.903 20 5 DDBDLO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC001120960723 782257891 /nfs/dbraw/zinc/25/78/91/782257891.db2.gz WTKRFGWXGPFIAZ-NHYWBVRUSA-N 1 2 319.409 1.609 20 5 DDBDLO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@@H]1CN(C)CC[N@H+]1C ZINC001120960723 782257898 /nfs/dbraw/zinc/25/78/98/782257898.db2.gz WTKRFGWXGPFIAZ-NHYWBVRUSA-N 1 2 319.409 1.609 20 5 DDBDLO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001196973128 747011846 /nfs/dbraw/zinc/01/18/46/747011846.db2.gz OEMQKSISGGRBJD-LBPRGKRZSA-N 1 2 313.379 1.238 20 5 DDBDLO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001196973128 747011854 /nfs/dbraw/zinc/01/18/54/747011854.db2.gz OEMQKSISGGRBJD-LBPRGKRZSA-N 1 2 313.379 1.238 20 5 DDBDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001095617355 750084527 /nfs/dbraw/zinc/08/45/27/750084527.db2.gz DDYUKHDZLPRZSI-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)Cc1[nH]cc[nH+]1 ZINC001109506899 763761295 /nfs/dbraw/zinc/76/12/95/763761295.db2.gz UUSHQLOWOVCGHO-UHFFFAOYSA-N 1 2 318.337 1.216 20 5 DDBDLO O=C(NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001096260799 768805196 /nfs/dbraw/zinc/80/51/96/768805196.db2.gz MVYHEJDISMALKE-UHFFFAOYSA-N 1 2 318.377 1.243 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)cc(C)c2[N+](=O)[O-])C[NH2+]1 ZINC001158253834 864513066 /nfs/dbraw/zinc/51/30/66/864513066.db2.gz FEGKJLXSEKNDDL-SFYZADRCSA-N 1 2 314.729 1.267 20 5 DDBDLO Cc1cnc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001160721599 866063935 /nfs/dbraw/zinc/06/39/35/866063935.db2.gz ZGTUAXFCDFSGPF-OLZOCXBDSA-N 1 2 306.366 1.963 20 5 DDBDLO Cc1nc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160734093 866085377 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COCCN1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254552506 896498715 /nfs/dbraw/zinc/49/87/15/896498715.db2.gz MROFGEURVPJOSU-CQSZACIVSA-N 1 2 307.394 1.790 20 5 DDBDLO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCN(C)CC1 ZINC000278381480 214129073 /nfs/dbraw/zinc/12/90/73/214129073.db2.gz LPIOUBKHBCGFQR-LBPRGKRZSA-N 1 2 319.409 1.611 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451932187 231238941 /nfs/dbraw/zinc/23/89/41/231238941.db2.gz MRWDAIPCHUJWOX-JTQLQIEISA-N 1 2 324.362 1.851 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491438084 529910365 /nfs/dbraw/zinc/91/03/65/529910365.db2.gz ZIQSPUAKJMBDCY-WAYWQWQTSA-N 1 2 319.361 1.399 20 5 DDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000341720865 282470753 /nfs/dbraw/zinc/47/07/53/282470753.db2.gz QTOOBPIWSHTSEV-ZDUSSCGKSA-N 1 2 315.333 1.792 20 5 DDBDLO O=[N+]([O-])c1cc2c(ncnc2NCC[NH+]2CCOCC2)s1 ZINC000286935603 219232185 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595382003 356472969 /nfs/dbraw/zinc/47/29/69/356472969.db2.gz BAHXKCQLWFWTGE-SNVBAGLBSA-N 1 2 324.362 1.676 20 5 DDBDLO C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595447584 356496589 /nfs/dbraw/zinc/49/65/89/356496589.db2.gz OAAQOJVNVFGAIT-JTQLQIEISA-N 1 2 303.322 1.889 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1COCCO1 ZINC000595736962 356629552 /nfs/dbraw/zinc/62/95/52/356629552.db2.gz OINDKIQSXBSBNG-RYUDHWBXSA-N 1 2 323.349 1.269 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1COCCO1 ZINC000595736962 356629554 /nfs/dbraw/zinc/62/95/54/356629554.db2.gz OINDKIQSXBSBNG-RYUDHWBXSA-N 1 2 323.349 1.269 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCOc3ccc(O)cc3C2)n1 ZINC000595843387 356674534 /nfs/dbraw/zinc/67/45/34/356674534.db2.gz AOUINWUSMNTXRF-UHFFFAOYSA-N 1 2 304.306 1.392 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOc3ccc(O)cc3C2)n1 ZINC000595843387 356674536 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COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598940841 357766204 /nfs/dbraw/zinc/76/62/04/357766204.db2.gz ATMDAOIJCKLBRB-VIFPVBQESA-N 1 2 302.290 1.155 20 5 DDBDLO CCc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598944242 357768957 /nfs/dbraw/zinc/76/89/57/357768957.db2.gz KYBFGAQPSZAQCX-GFCCVEGCSA-N 1 2 300.318 1.708 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598948764 357772388 /nfs/dbraw/zinc/77/23/88/357772388.db2.gz UKDSJAVPYMBHAX-JTQLQIEISA-N 1 2 316.317 1.545 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598949971 357773556 /nfs/dbraw/zinc/77/35/56/357773556.db2.gz YJUHSIUXQJRPNZ-SNVBAGLBSA-N 1 2 302.290 1.242 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nccnn2)CC1 ZINC000599058320 357805240 /nfs/dbraw/zinc/80/52/40/357805240.db2.gz KCFGCOLBLYTMNK-LBPRGKRZSA-N 1 2 314.349 1.663 20 5 DDBDLO O=C(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])N1CCCO1 ZINC000599095452 357814265 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O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000618374087 363611275 /nfs/dbraw/zinc/61/12/75/363611275.db2.gz DWGOTSNHCBTLRN-LLVKDONJSA-N 1 2 317.305 1.369 20 5 DDBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000601651917 358638441 /nfs/dbraw/zinc/63/84/41/358638441.db2.gz VONHLDMTQWBCRX-UHFFFAOYSA-N 1 2 313.304 1.851 20 5 DDBDLO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000602174194 358863280 /nfs/dbraw/zinc/86/32/80/358863280.db2.gz RXJDTLFXWAWIIZ-QWHCGFSZSA-N 1 2 307.350 1.759 20 5 DDBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602816808 359212389 /nfs/dbraw/zinc/21/23/89/359212389.db2.gz PHSJKIKQAYZDES-CQSZACIVSA-N 1 2 309.370 1.090 20 5 DDBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602816808 359212390 /nfs/dbraw/zinc/21/23/90/359212390.db2.gz PHSJKIKQAYZDES-CQSZACIVSA-N 1 2 309.370 1.090 20 5 DDBDLO Cc1nnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1C ZINC000602945187 359312183 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20 5 DDBDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000194912468 201309899 /nfs/dbraw/zinc/30/98/99/201309899.db2.gz RKBRDCMMIAYZOO-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000194912468 201309901 /nfs/dbraw/zinc/30/99/01/201309901.db2.gz RKBRDCMMIAYZOO-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000349482659 283938625 /nfs/dbraw/zinc/93/86/25/283938625.db2.gz DIXJUPYPVBTYMT-UHFFFAOYSA-N 1 2 320.696 1.549 20 5 DDBDLO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349899206 284098861 /nfs/dbraw/zinc/09/88/61/284098861.db2.gz VTPIFHAXLWIBQK-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349899206 284098867 /nfs/dbraw/zinc/09/88/67/284098867.db2.gz VTPIFHAXLWIBQK-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000171696244 248323413 /nfs/dbraw/zinc/32/34/13/248323413.db2.gz YCTWVASJVTVDNY-NSHDSACASA-N 1 2 321.402 1.921 20 5 DDBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000171696244 248323417 /nfs/dbraw/zinc/32/34/17/248323417.db2.gz YCTWVASJVTVDNY-NSHDSACASA-N 1 2 321.402 1.921 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598959 194019100 /nfs/dbraw/zinc/01/91/00/194019100.db2.gz YMVNQTZLZLGYHM-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284752101 218163478 /nfs/dbraw/zinc/16/34/78/218163478.db2.gz VTJBHGIOYZHUKV-BMFZPTHFSA-N 1 2 306.362 1.957 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284752101 218163479 /nfs/dbraw/zinc/16/34/79/218163479.db2.gz VTJBHGIOYZHUKV-BMFZPTHFSA-N 1 2 306.362 1.957 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000110917204 194368802 /nfs/dbraw/zinc/36/88/02/194368802.db2.gz GYIYJJJKKDFQJN-UHFFFAOYSA-N 1 2 321.377 1.698 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@@H+]1C1CC1 ZINC000158161294 197248470 /nfs/dbraw/zinc/24/84/70/197248470.db2.gz XCMZBLGOWDPKEB-VHSXEESVSA-N 1 2 305.334 1.655 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C[N@H+]1C1CC1 ZINC000158161294 197248472 /nfs/dbraw/zinc/24/84/72/197248472.db2.gz XCMZBLGOWDPKEB-VHSXEESVSA-N 1 2 305.334 1.655 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000299329726 533213412 /nfs/dbraw/zinc/21/34/12/533213412.db2.gz HIYWDKRUQVLRNF-UHFFFAOYSA-N 1 2 305.334 1.524 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416357933 291976791 /nfs/dbraw/zinc/97/67/91/291976791.db2.gz FKTBEYCIYHOZPH-UHFFFAOYSA-N 1 2 313.379 1.148 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000353630889 285837788 /nfs/dbraw/zinc/83/77/88/285837788.db2.gz JBRGUEJIMWVMNO-OCCSQVGLSA-N 1 2 302.334 1.796 20 5 DDBDLO CCCNC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069190013 406689677 /nfs/dbraw/zinc/68/96/77/406689677.db2.gz UPNBPIWPJGKWTQ-UHFFFAOYSA-N 1 2 306.366 1.243 20 5 DDBDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008309590 406782810 /nfs/dbraw/zinc/78/28/10/406782810.db2.gz BFKZKUONUCNZGY-LLVKDONJSA-N 1 2 322.365 1.380 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008309590 406782813 /nfs/dbraw/zinc/78/28/13/406782813.db2.gz BFKZKUONUCNZGY-LLVKDONJSA-N 1 2 322.365 1.380 20 5 DDBDLO COC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000014920709 406877022 /nfs/dbraw/zinc/87/70/22/406877022.db2.gz VZRPKOXBMFWXDI-UHFFFAOYSA-N 1 2 308.334 1.988 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000078807562 407046577 /nfs/dbraw/zinc/04/65/77/407046577.db2.gz LJMGKLJOLXGABZ-UHFFFAOYSA-N 1 2 324.362 1.457 20 5 DDBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066498389 407251992 /nfs/dbraw/zinc/25/19/92/407251992.db2.gz XSVRPKZWCBLPMP-CQSZACIVSA-N 1 2 307.350 1.430 20 5 DDBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066498389 407251994 /nfs/dbraw/zinc/25/19/94/407251994.db2.gz XSVRPKZWCBLPMP-CQSZACIVSA-N 1 2 307.350 1.430 20 5 DDBDLO O=C(NCCCn1cc[nH+]c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068005037 407293985 /nfs/dbraw/zinc/29/39/85/407293985.db2.gz MDJOOHSMSUEKAG-UHFFFAOYSA-N 1 2 314.305 1.488 20 5 DDBDLO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000111635717 407413031 /nfs/dbraw/zinc/41/30/31/407413031.db2.gz WBHHRFLWSNWZMM-GFCCVEGCSA-N 1 2 307.350 1.905 20 5 DDBDLO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000111635717 407413032 /nfs/dbraw/zinc/41/30/32/407413032.db2.gz WBHHRFLWSNWZMM-GFCCVEGCSA-N 1 2 307.350 1.905 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000126865204 407422957 /nfs/dbraw/zinc/42/29/57/407422957.db2.gz OIAGMWKIFRYAIF-OAHLLOKOSA-N 1 2 318.333 1.570 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000126865204 407422959 /nfs/dbraw/zinc/42/29/59/407422959.db2.gz OIAGMWKIFRYAIF-OAHLLOKOSA-N 1 2 318.333 1.570 20 5 DDBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)(F)F ZINC000128378270 407528245 /nfs/dbraw/zinc/52/82/45/407528245.db2.gz QJPUNZRPCLOSES-JTQLQIEISA-N 1 2 321.303 1.360 20 5 DDBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)(F)F ZINC000128378270 407528251 /nfs/dbraw/zinc/52/82/51/407528251.db2.gz QJPUNZRPCLOSES-JTQLQIEISA-N 1 2 321.303 1.360 20 5 DDBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000153237406 407781750 /nfs/dbraw/zinc/78/17/50/407781750.db2.gz ULVWNTATUSDPFW-UHFFFAOYSA-N 1 2 303.362 1.965 20 5 DDBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000153237406 407781759 /nfs/dbraw/zinc/78/17/59/407781759.db2.gz ULVWNTATUSDPFW-UHFFFAOYSA-N 1 2 303.362 1.965 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000173067368 407863283 /nfs/dbraw/zinc/86/32/83/407863283.db2.gz ANMHGYKCMLXOTH-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000267569654 407849274 /nfs/dbraw/zinc/84/92/74/407849274.db2.gz WYRGRGVTAPPASM-GXTWGEPZSA-N 1 2 306.366 1.455 20 5 DDBDLO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000153996813 407949629 /nfs/dbraw/zinc/94/96/29/407949629.db2.gz YIYNLDIUZZILHJ-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000153996813 407949634 /nfs/dbraw/zinc/94/96/34/407949634.db2.gz YIYNLDIUZZILHJ-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO COC[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000149941461 408191728 /nfs/dbraw/zinc/19/17/28/408191728.db2.gz MBXZQUOTRXKVII-LLVKDONJSA-N 1 2 318.333 1.793 20 5 DDBDLO CCc1n[nH]c(C(=O)NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000175928777 408241142 /nfs/dbraw/zinc/24/11/42/408241142.db2.gz SNRWPTVTAXKDQO-UHFFFAOYSA-N 1 2 320.353 1.663 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000182834025 408259329 /nfs/dbraw/zinc/25/93/29/408259329.db2.gz YARJCGLCVGDXSS-WCQYABFASA-N 1 2 304.350 1.674 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000182834025 408259340 /nfs/dbraw/zinc/25/93/40/408259340.db2.gz YARJCGLCVGDXSS-WCQYABFASA-N 1 2 304.350 1.674 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273445867 408202679 /nfs/dbraw/zinc/20/26/79/408202679.db2.gz CJHMRNTYUPZSPO-UHFFFAOYSA-N 1 2 314.349 1.723 20 5 DDBDLO Cc1n[nH]c(C(=O)NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000263816183 408271952 /nfs/dbraw/zinc/27/19/52/408271952.db2.gz YHDFFQVAJHRFJV-UHFFFAOYSA-N 1 2 304.310 1.089 20 5 DDBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc([N+](=O)[O-])cn1 ZINC000273682666 408287448 /nfs/dbraw/zinc/28/74/48/408287448.db2.gz ZKJVLEFZQXAKGS-UHFFFAOYSA-N 1 2 316.243 1.780 20 5 DDBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269895600 408462960 /nfs/dbraw/zinc/46/29/60/408462960.db2.gz GLFYDDMGTADIET-SNVBAGLBSA-N 1 2 301.306 1.327 20 5 DDBDLO CC(=O)c1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275020552 408576873 /nfs/dbraw/zinc/57/68/73/408576873.db2.gz LXWVBZDNMDTXDS-NSHDSACASA-N 1 2 307.350 1.300 20 5 DDBDLO COc1cc(C[N@@H+](CC(N)=O)CC(C)C)c([N+](=O)[O-])cc1F ZINC000184243159 408578563 /nfs/dbraw/zinc/57/85/63/408578563.db2.gz JYVOTFSEQWULLN-UHFFFAOYSA-N 1 2 313.329 1.686 20 5 DDBDLO COc1cc(C[N@H+](CC(N)=O)CC(C)C)c([N+](=O)[O-])cc1F ZINC000184243159 408578567 /nfs/dbraw/zinc/57/85/67/408578567.db2.gz JYVOTFSEQWULLN-UHFFFAOYSA-N 1 2 313.329 1.686 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249556414 408741979 /nfs/dbraw/zinc/74/19/79/408741979.db2.gz JWEZSJMTRDIBKE-GYSYKLTISA-N 1 2 307.350 1.625 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249556414 408741984 /nfs/dbraw/zinc/74/19/84/408741984.db2.gz JWEZSJMTRDIBKE-GYSYKLTISA-N 1 2 307.350 1.625 20 5 DDBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000184790007 408691733 /nfs/dbraw/zinc/69/17/33/408691733.db2.gz AFLLNAIPMHXYNW-SEYXRHQNSA-N 1 2 319.361 1.447 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249564547 408743083 /nfs/dbraw/zinc/74/30/83/408743083.db2.gz MSDRBGCKADGZBC-FZMZJTMJSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249564547 408743088 /nfs/dbraw/zinc/74/30/88/408743088.db2.gz MSDRBGCKADGZBC-FZMZJTMJSA-N 1 2 307.350 1.544 20 5 DDBDLO NC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193831283 408748472 /nfs/dbraw/zinc/74/84/72/408748472.db2.gz YROQTJVYEIIFPP-UHFFFAOYSA-N 1 2 323.309 1.089 20 5 DDBDLO NC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193831283 408748476 /nfs/dbraw/zinc/74/84/76/408748476.db2.gz YROQTJVYEIIFPP-UHFFFAOYSA-N 1 2 323.309 1.089 20 5 DDBDLO Cn1cnnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000163072762 408755170 /nfs/dbraw/zinc/75/51/70/408755170.db2.gz FODDDYUIZSEQRW-UHFFFAOYSA-N 1 2 313.277 1.161 20 5 DDBDLO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185183553 408775759 /nfs/dbraw/zinc/77/57/59/408775759.db2.gz DQALASUEXGCNLN-UHFFFAOYSA-N 1 2 307.350 1.714 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1F ZINC000276341985 408838811 /nfs/dbraw/zinc/83/88/11/408838811.db2.gz UFLSDUWMTHCQJM-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO CCc1nocc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293312534 409087970 /nfs/dbraw/zinc/08/79/70/409087970.db2.gz FMJYXHPJJSCSSA-UHFFFAOYSA-N 1 2 318.333 1.876 20 5 DDBDLO CCc1nocc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293312534 409087973 /nfs/dbraw/zinc/08/79/73/409087973.db2.gz FMJYXHPJJSCSSA-UHFFFAOYSA-N 1 2 318.333 1.876 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280554528 409356337 /nfs/dbraw/zinc/35/63/37/409356337.db2.gz QSYHKOUXGUSDPC-LRDDRELGSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280554528 409356339 /nfs/dbraw/zinc/35/63/39/409356339.db2.gz QSYHKOUXGUSDPC-LRDDRELGSA-N 1 2 322.361 1.983 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000408353960 164305547 /nfs/dbraw/zinc/30/55/47/164305547.db2.gz FLUNKKBXLAYEDW-OLZOCXBDSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000408353960 164305548 /nfs/dbraw/zinc/30/55/48/164305548.db2.gz FLUNKKBXLAYEDW-OLZOCXBDSA-N 1 2 305.334 1.058 20 5 DDBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1n1cc[nH+]c1 ZINC000356735746 409559854 /nfs/dbraw/zinc/55/98/54/409559854.db2.gz YZSHABLQBCAUSZ-CMPLNLGQSA-N 1 2 318.337 1.248 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000296370065 409515154 /nfs/dbraw/zinc/51/51/54/409515154.db2.gz FEFVPPIFXQXLBP-UHFFFAOYSA-N 1 2 317.349 1.853 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000318657378 409879169 /nfs/dbraw/zinc/87/91/69/409879169.db2.gz HFLVJWPTPOCRHM-LLVKDONJSA-N 1 2 305.334 1.611 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000318657378 409879173 /nfs/dbraw/zinc/87/91/73/409879173.db2.gz HFLVJWPTPOCRHM-LLVKDONJSA-N 1 2 305.334 1.611 20 5 DDBDLO Cc1nc([N+](=O)[O-])c(-c2noc(Cc3ccc[nH+]c3C)n2)n1C ZINC000347136974 410356815 /nfs/dbraw/zinc/35/68/15/410356815.db2.gz PDGFCCYKNWAVRW-UHFFFAOYSA-N 1 2 314.305 1.981 20 5 DDBDLO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000343613031 410570436 /nfs/dbraw/zinc/57/04/36/410570436.db2.gz QNMUYXFVRSHMGA-LLVKDONJSA-N 1 2 307.350 1.905 20 5 DDBDLO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000343613031 410570439 /nfs/dbraw/zinc/57/04/39/410570439.db2.gz QNMUYXFVRSHMGA-LLVKDONJSA-N 1 2 307.350 1.905 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330656702 410854058 /nfs/dbraw/zinc/85/40/58/410854058.db2.gz QRVXKPOASDWROL-MFKMUULPSA-N 1 2 313.379 1.409 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330656702 410854060 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418541271 /nfs/dbraw/zinc/54/12/71/418541271.db2.gz NKYXZULTRLPGHI-WDMOLILDSA-N 1 2 307.325 1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374566256 418541275 /nfs/dbraw/zinc/54/12/75/418541275.db2.gz NKYXZULTRLPGHI-WDMOLILDSA-N 1 2 307.325 1.820 20 5 DDBDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000291200371 222217024 /nfs/dbraw/zinc/21/70/24/222217024.db2.gz HLWXTCALVQLQDW-CYBMUJFWSA-N 1 2 310.350 1.841 20 5 DDBDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000291200371 222217027 /nfs/dbraw/zinc/21/70/27/222217027.db2.gz HLWXTCALVQLQDW-CYBMUJFWSA-N 1 2 310.350 1.841 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420679 418649140 /nfs/dbraw/zinc/64/91/40/418649140.db2.gz OTODRBINVCUJMH-CYBMUJFWSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420679 418649142 /nfs/dbraw/zinc/64/91/42/418649142.db2.gz OTODRBINVCUJMH-CYBMUJFWSA-N 1 2 323.349 1.387 20 5 DDBDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394816 418634143 /nfs/dbraw/zinc/63/41/43/418634143.db2.gz VJGIQBWFPONLMT-NSHDSACASA-N 1 2 310.354 1.770 20 5 DDBDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394816 418634145 /nfs/dbraw/zinc/63/41/45/418634145.db2.gz VJGIQBWFPONLMT-NSHDSACASA-N 1 2 310.354 1.770 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000365671380 418892489 /nfs/dbraw/zinc/89/24/89/418892489.db2.gz DMSPITNYQDVEEB-ZDUSSCGKSA-N 1 2 319.361 1.450 20 5 DDBDLO Cc1cc(N[C@H]2CNC(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000436435255 420327057 /nfs/dbraw/zinc/32/70/57/420327057.db2.gz PXZZENQPXDAWTP-LLVKDONJSA-N 1 2 313.317 1.083 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443688363 230024675 /nfs/dbraw/zinc/02/46/75/230024675.db2.gz ZLUWMIZTKMJMMV-LLVKDONJSA-N 1 2 324.362 1.299 20 5 DDBDLO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1 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Cc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(N(C)C)[nH+]1 ZINC000490098586 421190235 /nfs/dbraw/zinc/19/02/35/421190235.db2.gz DAXAZBQRXXIKRU-UHFFFAOYSA-N 1 2 314.349 1.717 20 5 DDBDLO Cc1nc(N(C)C)nc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]1 ZINC000490098586 421190236 /nfs/dbraw/zinc/19/02/36/421190236.db2.gz DAXAZBQRXXIKRU-UHFFFAOYSA-N 1 2 314.349 1.717 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000523712708 421246695 /nfs/dbraw/zinc/24/66/95/421246695.db2.gz JIENDJLKDZCYAP-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000523712708 421246699 /nfs/dbraw/zinc/24/66/99/421246699.db2.gz JIENDJLKDZCYAP-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000530623541 421610590 /nfs/dbraw/zinc/61/05/90/421610590.db2.gz VCBYGDMBIWEYNV-VIFPVBQESA-N 1 2 322.287 1.872 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000530623541 421610593 /nfs/dbraw/zinc/61/05/93/421610593.db2.gz VCBYGDMBIWEYNV-VIFPVBQESA-N 1 2 322.287 1.872 20 5 DDBDLO CCCCn1nnnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000542551963 421824513 /nfs/dbraw/zinc/82/45/13/421824513.db2.gz VNBJLLAATIERNX-UHFFFAOYSA-N 1 2 317.353 1.335 20 5 DDBDLO CCCCn1nnnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000542551963 421824515 /nfs/dbraw/zinc/82/45/15/421824515.db2.gz VNBJLLAATIERNX-UHFFFAOYSA-N 1 2 317.353 1.335 20 5 DDBDLO Nc1nccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000594273504 422344136 /nfs/dbraw/zinc/34/41/36/422344136.db2.gz REVOUWXXIQOIEH-JTQLQIEISA-N 1 2 316.321 1.246 20 5 DDBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nnnn1CC1CC1 ZINC000578549352 422595695 /nfs/dbraw/zinc/59/56/95/422595695.db2.gz IUEQQWSLBPGSMF-CYBMUJFWSA-N 1 2 314.349 1.768 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342583235 271455615 /nfs/dbraw/zinc/45/56/15/271455615.db2.gz WUVWTFKHCBASAT-JTQLQIEISA-N 1 2 311.313 1.184 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342583235 271455618 /nfs/dbraw/zinc/45/56/18/271455618.db2.gz WUVWTFKHCBASAT-JTQLQIEISA-N 1 2 311.313 1.184 20 5 DDBDLO CC(C)(C)NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032534125 275818904 /nfs/dbraw/zinc/81/89/04/275818904.db2.gz DJJHZICLLQFAHS-UHFFFAOYSA-N 1 2 320.393 1.632 20 5 DDBDLO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)C1 ZINC000293931287 290187548 /nfs/dbraw/zinc/18/75/48/290187548.db2.gz QJCNOXGLDZDKNA-OAHLLOKOSA-N 1 2 305.334 1.468 20 5 DDBDLO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)C1 ZINC000293931287 290187550 /nfs/dbraw/zinc/18/75/50/290187550.db2.gz QJCNOXGLDZDKNA-OAHLLOKOSA-N 1 2 305.334 1.468 20 5 DDBDLO CC(=O)c1cc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000376403076 302073930 /nfs/dbraw/zinc/07/39/30/302073930.db2.gz LYNFTPIZFNQBMY-AWEZNQCLSA-N 1 2 319.361 1.708 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000376499616 302085645 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1.708 20 5 DDBDLO O=C1OC[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN12 ZINC000378344708 307286289 /nfs/dbraw/zinc/28/62/89/307286289.db2.gz BUGUMCHVDPEKGS-MASHWEEQSA-N 1 2 303.318 1.744 20 5 DDBDLO O=C1OC[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN12 ZINC000378344708 307286290 /nfs/dbraw/zinc/28/62/90/307286290.db2.gz BUGUMCHVDPEKGS-MASHWEEQSA-N 1 2 303.318 1.744 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427066432 307302799 /nfs/dbraw/zinc/30/27/99/307302799.db2.gz FCUXPMQQBOWRQJ-JTQLQIEISA-N 1 2 316.317 1.545 20 5 DDBDLO O=C(C[N@@H+]1CC[C@]12CCOC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421024295 484113334 /nfs/dbraw/zinc/11/33/34/484113334.db2.gz RUHCLBYEDVZNAM-MRXNPFEDSA-N 1 2 317.345 1.349 20 5 DDBDLO O=C(C[N@H+]1CC[C@]12CCOC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421024295 484113337 /nfs/dbraw/zinc/11/33/37/484113337.db2.gz RUHCLBYEDVZNAM-MRXNPFEDSA-N 1 2 317.345 1.349 20 5 DDBDLO Cn1[nH]c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1=O ZINC000451544011 534666212 /nfs/dbraw/zinc/66/62/12/534666212.db2.gz CYHVFEILCOMQGT-LBPRGKRZSA-N 1 2 317.349 1.396 20 5 DDBDLO Cn1[nH]c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1=O ZINC000451544011 534666216 /nfs/dbraw/zinc/66/62/16/534666216.db2.gz CYHVFEILCOMQGT-LBPRGKRZSA-N 1 2 317.349 1.396 20 5 DDBDLO CC1(C)C[S@](=O)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000331026737 527771881 /nfs/dbraw/zinc/77/18/81/527771881.db2.gz WULLKOROWUEPHT-OAQYLSRUSA-N 1 2 312.391 1.817 20 5 DDBDLO CC1(C)C[S@](=O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000331026737 527771885 /nfs/dbraw/zinc/77/18/85/527771885.db2.gz WULLKOROWUEPHT-OAQYLSRUSA-N 1 2 312.391 1.817 20 5 DDBDLO Cc1c(C(=O)NCCn2cc[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126127981 696759280 /nfs/dbraw/zinc/75/92/80/696759280.db2.gz NZHOEXRDUCSBCX-UHFFFAOYSA-N 1 2 319.277 1.438 20 5 DDBDLO O=C(C(F)F)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980590658 696808224 /nfs/dbraw/zinc/80/82/24/696808224.db2.gz ILSVIXSCAIBNFV-UHFFFAOYSA-N 1 2 313.304 1.894 20 5 DDBDLO O=C(C(F)F)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980590658 696808226 /nfs/dbraw/zinc/80/82/26/696808226.db2.gz ILSVIXSCAIBNFV-UHFFFAOYSA-N 1 2 313.304 1.894 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000175252143 697395641 /nfs/dbraw/zinc/39/56/41/697395641.db2.gz RNJJQZJCJWUQMR-CYBMUJFWSA-N 1 2 310.354 1.409 20 5 DDBDLO Cc1nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000788377889 699308794 /nfs/dbraw/zinc/30/87/94/699308794.db2.gz LWMBBAPUMKWXKZ-NSHDSACASA-N 1 2 311.386 1.018 20 5 DDBDLO O=C(CCc1ccccc1)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000791051450 699608917 /nfs/dbraw/zinc/60/89/17/699608917.db2.gz DJMZHJUQZDQNDD-UHFFFAOYSA-N 1 2 305.378 1.430 20 5 DDBDLO O=C(CCc1ccccc1)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000791051450 699608919 /nfs/dbraw/zinc/60/89/19/699608919.db2.gz DJMZHJUQZDQNDD-UHFFFAOYSA-N 1 2 305.378 1.430 20 5 DDBDLO CNc1c(C(=O)OCc2cc[nH+]c(N)c2)cccc1[N+](=O)[O-] ZINC000792131713 699677390 /nfs/dbraw/zinc/67/73/90/699677390.db2.gz IPBHYTBWSFFRIY-UHFFFAOYSA-N 1 2 302.290 1.971 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cn1 ZINC000804439400 701190080 /nfs/dbraw/zinc/19/00/80/701190080.db2.gz XORMMAIUIAMGJS-UHFFFAOYSA-N 1 2 316.365 1.233 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH+]1CCCC1)c1ccccc1 ZINC000840359885 702084050 /nfs/dbraw/zinc/08/40/50/702084050.db2.gz VOFUHFLVMAOEAR-HUUCEWRRSA-N 1 2 303.362 1.781 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000817367035 702354674 /nfs/dbraw/zinc/35/46/74/702354674.db2.gz ZSDXEYNSVAJZDB-LBPRGKRZSA-N 1 2 303.322 1.112 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000817367035 702354683 /nfs/dbraw/zinc/35/46/83/702354683.db2.gz ZSDXEYNSVAJZDB-LBPRGKRZSA-N 1 2 303.322 1.112 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844395849 703025438 /nfs/dbraw/zinc/02/54/38/703025438.db2.gz XZBPBUJVVWWIEL-NWDGAFQWSA-N 1 2 311.294 1.085 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844395849 703025443 /nfs/dbraw/zinc/02/54/43/703025443.db2.gz XZBPBUJVVWWIEL-NWDGAFQWSA-N 1 2 311.294 1.085 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000819998988 704200036 /nfs/dbraw/zinc/20/00/36/704200036.db2.gz MCSBNDGSJRIWBQ-ZDUSSCGKSA-N 1 2 309.322 1.263 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000819998988 704200038 /nfs/dbraw/zinc/20/00/38/704200038.db2.gz MCSBNDGSJRIWBQ-ZDUSSCGKSA-N 1 2 309.322 1.263 20 5 DDBDLO COc1cc(N(C)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000820652870 704315100 /nfs/dbraw/zinc/31/51/00/704315100.db2.gz ZUOXCMYRLMCMJF-UHFFFAOYSA-N 1 2 309.366 1.680 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874466295 705079464 /nfs/dbraw/zinc/07/94/64/705079464.db2.gz KVPOACVDLLDEIO-UHFFFAOYSA-N 1 2 321.377 1.616 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000823346973 705214994 /nfs/dbraw/zinc/21/49/94/705214994.db2.gz KBHYGTMPZHSIPP-NSHDSACASA-N 1 2 300.318 1.763 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864885352 706292351 /nfs/dbraw/zinc/29/23/51/706292351.db2.gz WDSPLSPRWAOXER-SNVBAGLBSA-N 1 2 306.297 1.678 20 5 DDBDLO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054384 707285889 /nfs/dbraw/zinc/28/58/89/707285889.db2.gz UUYPTVRFMRCDTA-SNVBAGLBSA-N 1 2 311.313 1.243 20 5 DDBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930833688 713932020 /nfs/dbraw/zinc/93/20/20/713932020.db2.gz QIKOLELRQWQHTA-QJPTWQEYSA-N 1 2 307.350 1.571 20 5 DDBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930833688 713932022 /nfs/dbraw/zinc/93/20/22/713932022.db2.gz QIKOLELRQWQHTA-QJPTWQEYSA-N 1 2 307.350 1.571 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933057163 714508217 /nfs/dbraw/zinc/50/82/17/714508217.db2.gz XIBAIQGXSRISDW-CQSZACIVSA-N 1 2 322.361 1.806 20 5 DDBDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001002788151 743430126 /nfs/dbraw/zinc/43/01/26/743430126.db2.gz NYSYUVPPGFXWAK-CHWSQXEVSA-N 1 2 324.406 1.197 20 5 DDBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cc[nH+]c1 ZINC001106789465 746087226 /nfs/dbraw/zinc/08/72/26/746087226.db2.gz OSHVZANJSNEPEV-UHFFFAOYSA-N 1 2 317.349 1.752 20 5 DDBDLO Cc1noc(C[NH+]2CCC(O)(c3nccn3C)CC2)c1[N+](=O)[O-] ZINC001197448890 747155060 /nfs/dbraw/zinc/15/50/60/747155060.db2.gz GFGHOPVFTOMIDF-UHFFFAOYSA-N 1 2 321.337 1.108 20 5 DDBDLO Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001045436060 766306243 /nfs/dbraw/zinc/30/62/43/766306243.db2.gz FYZJFLJPLRTDFJ-CHWSQXEVSA-N 1 2 322.365 1.119 20 5 DDBDLO Cc1ccnc(NCCCNC(=O)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC001094471177 775924364 /nfs/dbraw/zinc/92/43/64/775924364.db2.gz COBIFMGKAODZRY-UHFFFAOYSA-N 1 2 318.337 1.113 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC(C(N)=O)C2)c1F ZINC001173195417 777038271 /nfs/dbraw/zinc/03/82/71/777038271.db2.gz FVPRSGYVOYMWGE-MRVPVSSYSA-N 1 2 311.313 1.091 20 5 DDBDLO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CCn1cc[nH+]c1 ZINC001101889146 777647882 /nfs/dbraw/zinc/64/78/82/777647882.db2.gz KRRHUYHBVIZTMD-UHFFFAOYSA-N 1 2 317.349 1.752 20 5 DDBDLO CC(=O)N(C)CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001102409760 778121739 /nfs/dbraw/zinc/12/17/39/778121739.db2.gz UGTPZMPGAIZSGH-UHFFFAOYSA-N 1 2 324.356 1.334 20 5 DDBDLO CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157456527 863831818 /nfs/dbraw/zinc/83/18/18/863831818.db2.gz PVMDFAFIQLVYFI-UHFFFAOYSA-N 1 2 317.802 1.900 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001157655797 864018483 /nfs/dbraw/zinc/01/84/83/864018483.db2.gz ROEJMRVKZUFPDH-UHFFFAOYSA-N 1 2 306.366 1.883 20 5 DDBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001160690793 866028903 /nfs/dbraw/zinc/02/89/03/866028903.db2.gz IAUOOTLYZLFCTI-NSHDSACASA-N 1 2 319.321 1.228 20 5 DDBDLO C[C@@]12COC[C@H]1C[N@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720831 866962204 /nfs/dbraw/zinc/96/22/04/866962204.db2.gz CIRLVRIYLLHSCQ-MEBBXXQBSA-N 1 2 319.317 1.429 20 5 DDBDLO C[C@@]12COC[C@H]1C[N@@H+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)C2 ZINC001333720831 866962213 /nfs/dbraw/zinc/96/22/13/866962213.db2.gz CIRLVRIYLLHSCQ-MEBBXXQBSA-N 1 2 319.317 1.429 20 5 DDBDLO Cc1c(NC[C@H]2C[N@H+](C)CCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162687466 867731908 /nfs/dbraw/zinc/73/19/08/867731908.db2.gz DACLTPIHPIAZLE-JTQLQIEISA-N 1 2 310.310 1.554 20 5 DDBDLO Cc1c(NC[C@H]2C[N@@H+](C)CCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162687466 867731919 /nfs/dbraw/zinc/73/19/19/867731919.db2.gz DACLTPIHPIAZLE-JTQLQIEISA-N 1 2 310.310 1.554 20 5 DDBDLO C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC001338771147 870158525 /nfs/dbraw/zinc/15/85/25/870158525.db2.gz ZGNIKQSYARFLRY-LLVKDONJSA-N 1 2 316.317 1.642 20 5 DDBDLO C[NH+](C)/C=C/c1cc(N2C[C@H]3CC[C@@H](C2)C3=O)ncc1[N+](=O)[O-] ZINC001166945908 870405354 /nfs/dbraw/zinc/40/53/54/870405354.db2.gz AYCFBJZVJFAHBT-JARXHUJSSA-N 1 2 316.361 1.937 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001227044914 882794794 /nfs/dbraw/zinc/79/47/94/882794794.db2.gz RLZSGGURIHSORC-LLVKDONJSA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001227044914 882794798 /nfs/dbraw/zinc/79/47/98/882794798.db2.gz RLZSGGURIHSORC-LLVKDONJSA-N 1 2 310.306 1.091 20 5 DDBDLO C[N@@H+]1CC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228862631 883701942 /nfs/dbraw/zinc/70/19/42/883701942.db2.gz OZMPSARDBYLICL-ZCFIWIBFSA-N 1 2 307.228 1.797 20 5 DDBDLO C[N@H+]1CC[C@@H](Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])C1 ZINC001228862631 883701946 /nfs/dbraw/zinc/70/19/46/883701946.db2.gz OZMPSARDBYLICL-ZCFIWIBFSA-N 1 2 307.228 1.797 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000299435067 529784384 /nfs/dbraw/zinc/78/43/84/529784384.db2.gz PIXKHPNFIKTVQP-NSHDSACASA-N 1 2 318.333 1.137 20 5 DDBDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000299435067 529784385 /nfs/dbraw/zinc/78/43/85/529784385.db2.gz PIXKHPNFIKTVQP-NSHDSACASA-N 1 2 318.333 1.137 20 5 DDBDLO CNC(=O)N[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413224281 529889363 /nfs/dbraw/zinc/88/93/63/529889363.db2.gz DQJZPQOGFYYYLJ-LLVKDONJSA-N 1 2 315.333 1.651 20 5 DDBDLO CCn1nncc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000459309860 233087436 /nfs/dbraw/zinc/08/74/36/233087436.db2.gz LKNMTBRJJAYVDU-UHFFFAOYSA-N 1 2 316.365 1.528 20 5 DDBDLO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000331328483 233087836 /nfs/dbraw/zinc/08/78/36/233087836.db2.gz GWLFLRSTJXKIEU-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO CC(C)(CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCS(=O)CC1 ZINC000269562183 186385456 /nfs/dbraw/zinc/38/54/56/186385456.db2.gz JDHHCELSQJUBBJ-UHFFFAOYSA-N 1 2 311.407 1.850 20 5 DDBDLO O=[N+]([O-])c1cnccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253287 358464743 /nfs/dbraw/zinc/46/47/43/358464743.db2.gz JMSKFHCEXFYZIW-UHFFFAOYSA-N 1 2 314.349 1.145 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045624374 352417182 /nfs/dbraw/zinc/41/71/82/352417182.db2.gz STLSTSAWMSCMRK-LLVKDONJSA-N 1 2 303.322 1.679 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000173556597 198226321 /nfs/dbraw/zinc/22/63/21/198226321.db2.gz RKDQUMMMGCEMOB-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)on1 ZINC000074727566 353327082 /nfs/dbraw/zinc/32/70/82/353327082.db2.gz LXDCDCVHJFQFDE-UHFFFAOYSA-N 1 2 317.349 1.917 20 5 DDBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000174811311 198389089 /nfs/dbraw/zinc/38/90/89/198389089.db2.gz WIACXZVWYWJISV-UHFFFAOYSA-N 1 2 318.337 1.482 20 5 DDBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000174811311 198389091 /nfs/dbraw/zinc/38/90/91/198389091.db2.gz WIACXZVWYWJISV-UHFFFAOYSA-N 1 2 318.337 1.482 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000137758391 354119678 /nfs/dbraw/zinc/11/96/78/354119678.db2.gz NLIJVBPCNBLCGS-UHFFFAOYSA-N 1 2 315.333 1.276 20 5 DDBDLO COc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000587036209 354878204 /nfs/dbraw/zinc/87/82/04/354878204.db2.gz OXUWDJYYZMKSLO-LLVKDONJSA-N 1 2 316.317 1.545 20 5 DDBDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000494814499 235093007 /nfs/dbraw/zinc/09/30/07/235093007.db2.gz VUVAZHUXHPINKQ-LBPRGKRZSA-N 1 2 310.741 1.805 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000495191853 235138226 /nfs/dbraw/zinc/13/82/26/235138226.db2.gz RXZUPTUHEYSMLJ-AWEZNQCLSA-N 1 2 305.334 1.930 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000495191853 235138229 /nfs/dbraw/zinc/13/82/29/235138229.db2.gz RXZUPTUHEYSMLJ-AWEZNQCLSA-N 1 2 305.334 1.930 20 5 DDBDLO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCOCC1 ZINC000593219028 355826865 /nfs/dbraw/zinc/82/68/65/355826865.db2.gz YZSAUJITSIRHHZ-CQSZACIVSA-N 1 2 324.381 1.020 20 5 DDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc([N+](=O)[O-])cc1 ZINC000593411782 355877128 /nfs/dbraw/zinc/87/71/28/355877128.db2.gz DQTHHQMPRVDXIC-UHFFFAOYSA-N 1 2 314.345 1.987 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593686206 355967153 /nfs/dbraw/zinc/96/71/53/355967153.db2.gz KLWSGSKOXZUNGX-JSGCOSHPSA-N 1 2 322.340 1.728 20 5 DDBDLO CC[NH+]1C[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000565206914 304052269 /nfs/dbraw/zinc/05/22/69/304052269.db2.gz HUHHXNCBTFDTSK-QWRGUYRKSA-N 1 2 307.350 1.855 20 5 DDBDLO Cc1c[nH]c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594944691 356361246 /nfs/dbraw/zinc/36/12/46/356361246.db2.gz UXJXTNQLOXZFFT-UHFFFAOYSA-N 1 2 324.362 1.190 20 5 DDBDLO Cc1noc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595354446 356461608 /nfs/dbraw/zinc/46/16/08/356461608.db2.gz VROOWFHIFNWWMW-UHFFFAOYSA-N 1 2 318.333 1.769 20 5 DDBDLO Cc1noc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595354446 356461612 /nfs/dbraw/zinc/46/16/12/356461612.db2.gz VROOWFHIFNWWMW-UHFFFAOYSA-N 1 2 318.333 1.769 20 5 DDBDLO CO[C@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595659864 356596582 /nfs/dbraw/zinc/59/65/82/356596582.db2.gz QNCFIOZMWJTELE-OAHLLOKOSA-N 1 2 320.349 1.444 20 5 DDBDLO CO[C@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595659864 356596585 /nfs/dbraw/zinc/59/65/85/356596585.db2.gz QNCFIOZMWJTELE-OAHLLOKOSA-N 1 2 320.349 1.444 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595735772 356628017 /nfs/dbraw/zinc/62/80/17/356628017.db2.gz CMPHLYPTVZKTMD-ZDUSSCGKSA-N 1 2 323.349 1.189 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595735772 356628021 /nfs/dbraw/zinc/62/80/21/356628021.db2.gz CMPHLYPTVZKTMD-ZDUSSCGKSA-N 1 2 323.349 1.189 20 5 DDBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)CC2 ZINC000596190541 356806811 /nfs/dbraw/zinc/80/68/11/356806811.db2.gz TWDMGDFNFOJTQD-UHFFFAOYSA-N 1 2 301.306 1.219 20 5 DDBDLO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000596258469 356835156 /nfs/dbraw/zinc/83/51/56/356835156.db2.gz PLPYCQKOTLIACQ-AOOOYVTPSA-N 1 2 314.773 1.535 20 5 DDBDLO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000596258469 356835159 /nfs/dbraw/zinc/83/51/59/356835159.db2.gz PLPYCQKOTLIACQ-AOOOYVTPSA-N 1 2 314.773 1.535 20 5 DDBDLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597921009 357381948 /nfs/dbraw/zinc/38/19/48/357381948.db2.gz DQVWGKOXBMCIAZ-JTQLQIEISA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597921009 357381950 /nfs/dbraw/zinc/38/19/50/357381950.db2.gz DQVWGKOXBMCIAZ-JTQLQIEISA-N 1 2 307.350 1.903 20 5 DDBDLO COc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1F ZINC000598940965 357766260 /nfs/dbraw/zinc/76/62/60/357766260.db2.gz ZJTRSYMRRFBTEW-MRVPVSSYSA-N 1 2 320.280 1.294 20 5 DDBDLO Cc1cc(OCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000598946944 357770660 /nfs/dbraw/zinc/77/06/60/357770660.db2.gz JCYKJHWATPXZLW-LLVKDONJSA-N 1 2 316.317 1.220 20 5 DDBDLO Cc1c[nH]c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000600107970 358124439 /nfs/dbraw/zinc/12/44/39/358124439.db2.gz ZXZZPFCIOPHCCA-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600418547 358215555 /nfs/dbraw/zinc/21/55/55/358215555.db2.gz DEYLNXJOTDNZNU-LBPRGKRZSA-N 1 2 313.741 1.309 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600418547 358215560 /nfs/dbraw/zinc/21/55/60/358215560.db2.gz DEYLNXJOTDNZNU-LBPRGKRZSA-N 1 2 313.741 1.309 20 5 DDBDLO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000602174193 358863631 /nfs/dbraw/zinc/86/36/31/358863631.db2.gz RXJDTLFXWAWIIZ-OLZOCXBDSA-N 1 2 307.350 1.759 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3cncc(F)c3)CC2)c([N+](=O)[O-])n1 ZINC000602801579 359201880 /nfs/dbraw/zinc/20/18/80/359201880.db2.gz WQRULRSASDDYFN-UHFFFAOYSA-N 1 2 320.328 1.185 20 5 DDBDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000602898080 359280106 /nfs/dbraw/zinc/28/01/06/359280106.db2.gz KYJJOGRIOMZICA-ZANVPECISA-N 1 2 302.277 1.191 20 5 DDBDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000602898080 359280109 /nfs/dbraw/zinc/28/01/09/359280109.db2.gz KYJJOGRIOMZICA-ZANVPECISA-N 1 2 302.277 1.191 20 5 DDBDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602900761 359282312 /nfs/dbraw/zinc/28/23/12/359282312.db2.gz VEJUMKNBTPPZBU-DGCLKSJQSA-N 1 2 300.742 1.566 20 5 DDBDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602900761 359282317 /nfs/dbraw/zinc/28/23/17/359282317.db2.gz VEJUMKNBTPPZBU-DGCLKSJQSA-N 1 2 300.742 1.566 20 5 DDBDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000604399115 359747319 /nfs/dbraw/zinc/74/73/19/359747319.db2.gz LMMQXPTWENMKJA-MRVPVSSYSA-N 1 2 305.381 1.029 20 5 DDBDLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000604399115 359747321 /nfs/dbraw/zinc/74/73/21/359747321.db2.gz LMMQXPTWENMKJA-MRVPVSSYSA-N 1 2 305.381 1.029 20 5 DDBDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000237639800 202314058 /nfs/dbraw/zinc/31/40/58/202314058.db2.gz PYIISFVIGGMCLO-BDAKNGLRSA-N 1 2 303.322 1.294 20 5 DDBDLO Cc1nnc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000609849142 360356116 /nfs/dbraw/zinc/35/61/16/360356116.db2.gz GFJLPHBGZNWOBV-UHFFFAOYSA-N 1 2 316.365 1.339 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581075 360475718 /nfs/dbraw/zinc/47/57/18/360475718.db2.gz GQDDYCNOJMHPPW-LBPRGKRZSA-N 1 2 318.333 1.837 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581075 360475723 /nfs/dbraw/zinc/47/57/23/360475723.db2.gz GQDDYCNOJMHPPW-LBPRGKRZSA-N 1 2 318.333 1.837 20 5 DDBDLO Cc1c(C[NH+]2CCC(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000610762940 360530865 /nfs/dbraw/zinc/53/08/65/360530865.db2.gz IIWXKNQUMWTILU-UHFFFAOYSA-N 1 2 312.391 1.912 20 5 DDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncns3)CC2)c1 ZINC000611181733 360653090 /nfs/dbraw/zinc/65/30/90/360653090.db2.gz XEOJSUBUUHNQFB-UHFFFAOYSA-N 1 2 305.363 1.769 20 5 DDBDLO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000611515554 360742760 /nfs/dbraw/zinc/74/27/60/360742760.db2.gz DOCWEHYBDSAOOD-UHFFFAOYSA-N 1 2 313.379 1.185 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000359083682 299323518 /nfs/dbraw/zinc/32/35/18/299323518.db2.gz PFAWLJVZRWHGCW-ZDUSSCGKSA-N 1 2 307.398 1.654 20 5 DDBDLO Cn1c[nH+]cc1CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000193309578 201026774 /nfs/dbraw/zinc/02/67/74/201026774.db2.gz WBSPIFZIKYHDKU-UHFFFAOYSA-N 1 2 300.318 1.850 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253523 363947052 /nfs/dbraw/zinc/94/70/52/363947052.db2.gz YFJJVMXTOBLEBS-VXGBXAGGSA-N 1 2 323.324 1.559 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000350685044 284243222 /nfs/dbraw/zinc/24/32/22/284243222.db2.gz NBNVVENBBKEOSO-UHFFFAOYSA-N 1 2 322.394 1.066 20 5 DDBDLO CC(C)(CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000017854246 182087207 /nfs/dbraw/zinc/08/72/07/182087207.db2.gz ALJRXSVHKKTMTL-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO Cc1cn2cc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)ccc2[nH+]1 ZINC000339275042 250383005 /nfs/dbraw/zinc/38/30/05/250383005.db2.gz XIGNRTXUCLMVRS-UHFFFAOYSA-N 1 2 314.305 1.845 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)on1 ZINC000283608064 291890402 /nfs/dbraw/zinc/89/04/02/291890402.db2.gz RKUFXBTWMZTFCA-UHFFFAOYSA-N 1 2 317.349 1.796 20 5 DDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000360798730 306988327 /nfs/dbraw/zinc/98/83/27/306988327.db2.gz FFXMVPUPAPKZSC-UHFFFAOYSA-N 1 2 318.337 1.345 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000569167161 304339380 /nfs/dbraw/zinc/33/93/80/304339380.db2.gz QUENTRCVUDZEGQ-ZANVPECISA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000569167161 304339383 /nfs/dbraw/zinc/33/93/83/304339383.db2.gz QUENTRCVUDZEGQ-ZANVPECISA-N 1 2 300.742 1.423 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH+]1CCOCC1 ZINC000085620730 407104330 /nfs/dbraw/zinc/10/43/30/407104330.db2.gz GRGMUKPVXISDGA-UHFFFAOYSA-N 1 2 322.365 1.665 20 5 DDBDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000066498457 407253452 /nfs/dbraw/zinc/25/34/52/407253452.db2.gz SLVWXYQDLXTGIK-CQSZACIVSA-N 1 2 307.350 1.430 20 5 DDBDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000066498457 407253454 /nfs/dbraw/zinc/25/34/54/407253454.db2.gz SLVWXYQDLXTGIK-CQSZACIVSA-N 1 2 307.350 1.430 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255516408 407474161 /nfs/dbraw/zinc/47/41/61/407474161.db2.gz JQILBSMPOXWWBW-VFFGBVLKSA-N 1 2 312.391 1.973 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255516408 407474163 /nfs/dbraw/zinc/47/41/63/407474163.db2.gz JQILBSMPOXWWBW-VFFGBVLKSA-N 1 2 312.391 1.973 20 5 DDBDLO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000271733684 407729066 /nfs/dbraw/zinc/72/90/66/407729066.db2.gz NKUQIELSBYOZEH-VIFPVBQESA-N 1 2 317.342 1.106 20 5 DDBDLO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000271733684 407729062 /nfs/dbraw/zinc/72/90/62/407729062.db2.gz NKUQIELSBYOZEH-VIFPVBQESA-N 1 2 317.342 1.106 20 5 DDBDLO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000132553450 407790933 /nfs/dbraw/zinc/79/09/33/407790933.db2.gz AXBCZPWGFVGTFA-JTQLQIEISA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000132553450 407790938 /nfs/dbraw/zinc/79/09/38/407790938.db2.gz AXBCZPWGFVGTFA-JTQLQIEISA-N 1 2 305.334 1.515 20 5 DDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000134551509 407907905 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307.306 1.455 20 5 DDBDLO C[N@H+](Cc1ccon1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273357136 408165700 /nfs/dbraw/zinc/16/57/00/408165700.db2.gz QEMABZLNYHLPTG-GFCCVEGCSA-N 1 2 307.306 1.455 20 5 DDBDLO O=C1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000246383974 408238049 /nfs/dbraw/zinc/23/80/49/408238049.db2.gz AKGMGXCNNOUQKK-QWHCGFSZSA-N 1 2 319.361 1.717 20 5 DDBDLO O=C1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000246383974 408238056 /nfs/dbraw/zinc/23/80/56/408238056.db2.gz AKGMGXCNNOUQKK-QWHCGFSZSA-N 1 2 319.361 1.717 20 5 DDBDLO CC(C)[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000190312910 408220808 /nfs/dbraw/zinc/22/08/08/408220808.db2.gz VIHIXTXYSOKQEN-JTQLQIEISA-N 1 2 300.384 1.820 20 5 DDBDLO Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000263904292 408309954 /nfs/dbraw/zinc/30/99/54/408309954.db2.gz FOUYJCPTXRWTMZ-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000263904292 408309959 /nfs/dbraw/zinc/30/99/59/408309959.db2.gz FOUYJCPTXRWTMZ-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247366726 408456351 /nfs/dbraw/zinc/45/63/51/408456351.db2.gz OWWZNEVORHAKBI-CVEARBPZSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247366726 408456357 /nfs/dbraw/zinc/45/63/57/408456357.db2.gz OWWZNEVORHAKBI-CVEARBPZSA-N 1 2 322.361 1.983 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274646940 408481332 /nfs/dbraw/zinc/48/13/32/408481332.db2.gz WCXLRXVXOHJUMU-UHFFFAOYSA-N 1 2 303.322 1.536 20 5 DDBDLO C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000177505838 408643082 /nfs/dbraw/zinc/64/30/82/408643082.db2.gz DJZFYCYMSVLLPH-DGCLKSJQSA-N 1 2 318.337 1.098 20 5 DDBDLO COc1cccc(NC[C@@H](C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185338401 408797421 /nfs/dbraw/zinc/79/74/21/408797421.db2.gz IVYOLURAXPWVNZ-GFCCVEGCSA-N 1 2 308.382 1.651 20 5 DDBDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276363463 408843428 /nfs/dbraw/zinc/84/34/28/408843428.db2.gz ZFZPZGHSPFGJRT-UHFFFAOYSA-N 1 2 313.329 1.271 20 5 DDBDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276363463 408843431 /nfs/dbraw/zinc/84/34/31/408843431.db2.gz ZFZPZGHSPFGJRT-UHFFFAOYSA-N 1 2 313.329 1.271 20 5 DDBDLO Cc1noc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000285752029 408856821 /nfs/dbraw/zinc/85/68/21/408856821.db2.gz RRZBQONQZRKHTG-LLVKDONJSA-N 1 2 306.326 1.710 20 5 DDBDLO Cc1noc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000285752029 408856823 /nfs/dbraw/zinc/85/68/23/408856823.db2.gz RRZBQONQZRKHTG-LLVKDONJSA-N 1 2 306.326 1.710 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCOCC1 ZINC000285959754 408896856 /nfs/dbraw/zinc/89/68/56/408896856.db2.gz AGBCIWGPZOAOND-UHFFFAOYSA-N 1 2 307.350 1.932 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000286048491 408914753 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320.324 1.775 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc2[nH+]ccn21 ZINC000357445043 410046757 /nfs/dbraw/zinc/04/67/57/410046757.db2.gz ZXVAKVUCOXBDBZ-UHFFFAOYSA-N 1 2 300.278 1.468 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CCO1 ZINC000343089353 410134125 /nfs/dbraw/zinc/13/41/25/410134125.db2.gz CKDYYWVEZDYGJR-LLVKDONJSA-N 1 2 322.365 1.216 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CCO1 ZINC000343089353 410134132 /nfs/dbraw/zinc/13/41/32/410134132.db2.gz CKDYYWVEZDYGJR-LLVKDONJSA-N 1 2 322.365 1.216 20 5 DDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000351774917 410223660 /nfs/dbraw/zinc/22/36/60/410223660.db2.gz PJQRVSJROVSOQZ-QPUJVOFHSA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000351774917 410223662 /nfs/dbraw/zinc/22/36/62/410223662.db2.gz PJQRVSJROVSOQZ-QPUJVOFHSA-N 1 2 313.741 1.499 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000347592774 410623503 /nfs/dbraw/zinc/62/35/03/410623503.db2.gz RJNOXSKOUHMMBW-HNNXBMFYSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000347592774 410623511 /nfs/dbraw/zinc/62/35/11/410623511.db2.gz RJNOXSKOUHMMBW-HNNXBMFYSA-N 1 2 321.377 1.364 20 5 DDBDLO CCc1ccc([C@H](COC)[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000347797155 410723959 /nfs/dbraw/zinc/72/39/59/410723959.db2.gz AOVSTUQERAWPKV-NSHDSACASA-N 1 2 308.338 1.961 20 5 DDBDLO COC(=O)[C@H](C1CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000359609654 410772170 /nfs/dbraw/zinc/77/21/70/410772170.db2.gz LANPNWRFYXMATN-HNNXBMFYSA-N 1 2 319.361 1.668 20 5 DDBDLO O=C1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C1CC1 ZINC000337454543 410799115 /nfs/dbraw/zinc/79/91/15/410799115.db2.gz HCVVKHCJSFDAII-UHFFFAOYSA-N 1 2 319.361 1.670 20 5 DDBDLO O=C1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C1CC1 ZINC000337454543 410799122 /nfs/dbraw/zinc/79/91/22/410799122.db2.gz HCVVKHCJSFDAII-UHFFFAOYSA-N 1 2 319.361 1.670 20 5 DDBDLO COC(=O)C1(O)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000330594253 410808746 /nfs/dbraw/zinc/80/87/46/410808746.db2.gz AVTZZQYSYHUZAM-UHFFFAOYSA-N 1 2 300.336 1.156 20 5 DDBDLO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000330645024 410846214 /nfs/dbraw/zinc/84/62/14/410846214.db2.gz GGRKIDDFYWIEAR-JQWIXIFHSA-N 1 2 323.349 1.092 20 5 DDBDLO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000330645024 410846221 /nfs/dbraw/zinc/84/62/21/410846221.db2.gz GGRKIDDFYWIEAR-JQWIXIFHSA-N 1 2 323.349 1.092 20 5 DDBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000348312703 410912979 /nfs/dbraw/zinc/91/29/79/410912979.db2.gz RCVXWMANAXAQQL-LLVKDONJSA-N 1 2 313.379 1.061 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000348312703 410912982 /nfs/dbraw/zinc/91/29/82/410912982.db2.gz RCVXWMANAXAQQL-LLVKDONJSA-N 1 2 313.379 1.061 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)s1 ZINC000360050842 411023626 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CCc1nnc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1C ZINC000373583697 418442313 /nfs/dbraw/zinc/44/23/13/418442313.db2.gz JVADXLRONWUXFZ-LLVKDONJSA-N 1 2 319.369 1.319 20 5 DDBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nc2c(cnn2C)c(N)[nH+]1 ZINC000195180269 222193580 /nfs/dbraw/zinc/19/35/80/222193580.db2.gz SONDUIWAKVSFMJ-UHFFFAOYSA-N 1 2 313.321 1.490 20 5 DDBDLO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000367648210 418618703 /nfs/dbraw/zinc/61/87/03/418618703.db2.gz GGNKNGMSZAKUOD-ZFWWWQNUSA-N 1 2 305.334 1.644 20 5 DDBDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000361527908 418671141 /nfs/dbraw/zinc/67/11/41/418671141.db2.gz KUGLKRYOJVQYIY-ZDUSSCGKSA-N 1 2 310.350 1.841 20 5 DDBDLO COCC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000361527908 418671143 /nfs/dbraw/zinc/67/11/43/418671143.db2.gz KUGLKRYOJVQYIY-ZDUSSCGKSA-N 1 2 310.350 1.841 20 5 DDBDLO O=C1OC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000361938472 418728148 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DDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000428357319 419854146 /nfs/dbraw/zinc/85/41/46/419854146.db2.gz DENKRBRWINRZMA-SECBINFHSA-N 1 2 304.281 1.675 20 5 DDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000415969896 420227845 /nfs/dbraw/zinc/22/78/45/420227845.db2.gz HKZSSCDJJFYVAH-UHFFFAOYSA-N 1 2 307.350 1.435 20 5 DDBDLO Cc1cc(C)c(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000436492569 420333352 /nfs/dbraw/zinc/33/33/52/420333352.db2.gz JWMAWMJUUHMVTE-UHFFFAOYSA-N 1 2 318.337 1.933 20 5 DDBDLO COCCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472351104 420965019 /nfs/dbraw/zinc/96/50/19/420965019.db2.gz RIPJDPLQOVPMHO-UHFFFAOYSA-N 1 2 323.393 1.900 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000488032078 421065325 /nfs/dbraw/zinc/06/53/25/421065325.db2.gz GBDIVPJAXHMMRA-HUUCEWRRSA-N 1 2 310.350 1.839 20 5 DDBDLO CN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450028000 421132042 /nfs/dbraw/zinc/13/20/42/421132042.db2.gz MMPNKRVJVGSYPK-UHFFFAOYSA-N 1 2 318.333 1.623 20 5 DDBDLO CC[C@@H](O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450139446 421150279 /nfs/dbraw/zinc/15/02/79/421150279.db2.gz JZTAUDCOOUVNKL-GFCCVEGCSA-N 1 2 318.333 1.671 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000543912698 421842493 /nfs/dbraw/zinc/84/24/93/421842493.db2.gz FHMGJJVKSHRQSW-UHFFFAOYSA-N 1 2 322.346 1.345 20 5 DDBDLO COc1ccc(CNc2nc[nH+]c3c2OCCN3)cc1[N+](=O)[O-] ZINC000591141834 422325483 /nfs/dbraw/zinc/32/54/83/422325483.db2.gz ANJJKLGQPQDFCY-UHFFFAOYSA-N 1 2 317.305 1.810 20 5 DDBDLO COc1ccc(CNc2[nH+]cnc3c2OCCN3)cc1[N+](=O)[O-] ZINC000591141834 422325487 /nfs/dbraw/zinc/32/54/87/422325487.db2.gz ANJJKLGQPQDFCY-UHFFFAOYSA-N 1 2 317.305 1.810 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000428342662 276041981 /nfs/dbraw/zinc/04/19/81/276041981.db2.gz BWRMTZZXOGBIJV-VIFPVBQESA-N 1 2 318.337 1.383 20 5 DDBDLO CCCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283890128 276227533 /nfs/dbraw/zinc/22/75/33/276227533.db2.gz AYOAZWRYPVUPRS-UHFFFAOYSA-N 1 2 324.337 1.981 20 5 DDBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283890128 276227534 /nfs/dbraw/zinc/22/75/34/276227534.db2.gz AYOAZWRYPVUPRS-UHFFFAOYSA-N 1 2 324.337 1.981 20 5 DDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000355329877 298715579 /nfs/dbraw/zinc/71/55/79/298715579.db2.gz YJEBOCCCROQYII-UHFFFAOYSA-N 1 2 313.277 1.215 20 5 DDBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315071470 300214656 /nfs/dbraw/zinc/21/46/56/300214656.db2.gz BISQUVRNHGSEFF-VIFPVBQESA-N 1 2 317.342 1.059 20 5 DDBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315071470 300214659 /nfs/dbraw/zinc/21/46/59/300214659.db2.gz BISQUVRNHGSEFF-VIFPVBQESA-N 1 2 317.342 1.059 20 5 DDBDLO Cc1cccc(NC2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)[nH+]1 ZINC000363548330 300280631 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Cc1nnc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000541690597 307692494 /nfs/dbraw/zinc/69/24/94/307692494.db2.gz NLINOOYDXVOUOK-ONGXEEELSA-N 1 2 322.321 1.377 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(F)c1 ZINC000577419320 308387244 /nfs/dbraw/zinc/38/72/44/308387244.db2.gz RQIGGNPLSHHCFF-ISVAXAHUSA-N 1 2 302.277 1.048 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(F)c1 ZINC000577419320 308387245 /nfs/dbraw/zinc/38/72/45/308387245.db2.gz RQIGGNPLSHHCFF-ISVAXAHUSA-N 1 2 302.277 1.048 20 5 DDBDLO Cc1nc([C@](C)([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)no1 ZINC000433312923 534616847 /nfs/dbraw/zinc/61/68/47/534616847.db2.gz SSZPDIQYUFXYSX-CYBMUJFWSA-N 1 2 306.326 1.398 20 5 DDBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332660775 528054757 /nfs/dbraw/zinc/05/47/57/528054757.db2.gz GALMFJAKLNOGFQ-NSHDSACASA-N 1 2 309.370 1.161 20 5 DDBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332660775 528054759 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310.697 1.625 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000726254322 699356345 /nfs/dbraw/zinc/35/63/45/699356345.db2.gz GQHRYXMXFCPRDQ-GFCCVEGCSA-N 1 2 322.365 1.115 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000726254322 699356349 /nfs/dbraw/zinc/35/63/49/699356349.db2.gz GQHRYXMXFCPRDQ-GFCCVEGCSA-N 1 2 322.365 1.115 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000796342070 699927538 /nfs/dbraw/zinc/92/75/38/699927538.db2.gz TWWLCVGNAGSQTQ-OAGGEKHMSA-N 1 2 322.361 1.508 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000796342070 699927541 /nfs/dbraw/zinc/92/75/41/699927541.db2.gz TWWLCVGNAGSQTQ-OAGGEKHMSA-N 1 2 322.361 1.508 20 5 DDBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000752323623 700356329 /nfs/dbraw/zinc/35/63/29/700356329.db2.gz VKCQTOUWZABPRU-SNVBAGLBSA-N 1 2 313.741 1.907 20 5 DDBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000752323623 700356333 /nfs/dbraw/zinc/35/63/33/700356333.db2.gz VKCQTOUWZABPRU-SNVBAGLBSA-N 1 2 313.741 1.907 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801949446 700359564 /nfs/dbraw/zinc/35/95/64/700359564.db2.gz AUPVHGQKJYCAPO-UHFFFAOYSA-N 1 2 307.285 1.022 20 5 DDBDLO Cc1c(CC(=O)OCCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000802777946 700426712 /nfs/dbraw/zinc/42/67/12/700426712.db2.gz TWGUXHXJTRUYIG-UHFFFAOYSA-N 1 2 303.318 1.965 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000754354485 700497348 /nfs/dbraw/zinc/49/73/48/700497348.db2.gz MOJCIVXKALTASE-UHFFFAOYSA-N 1 2 318.289 1.134 20 5 DDBDLO C[C@@H](C(=O)O[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000763396612 700936677 /nfs/dbraw/zinc/93/66/77/700936677.db2.gz BZFHJVXPMUPJBJ-QWHCGFSZSA-N 1 2 322.361 1.962 20 5 DDBDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767033397 701079681 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320.345 1.798 20 5 DDBDLO COC(=O)C12CCC(CC1)[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879327238 706650577 /nfs/dbraw/zinc/65/05/77/706650577.db2.gz CAHRDOUMYQPIPJ-UGWHAMFMSA-N 1 2 320.345 1.798 20 5 DDBDLO C[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813111446 702297338 /nfs/dbraw/zinc/29/73/38/702297338.db2.gz HJSVQDBRBUBQTD-SECBINFHSA-N 1 2 320.261 1.603 20 5 DDBDLO Cc1nn(C[NH+]2CCC(Cn3cnnc3)CC2)cc1[N+](=O)[O-] ZINC000844736058 703065865 /nfs/dbraw/zinc/06/58/65/703065865.db2.gz UCSYFUWUQSCDJW-UHFFFAOYSA-N 1 2 305.342 1.061 20 5 DDBDLO Nc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000854496486 704407935 /nfs/dbraw/zinc/40/79/35/704407935.db2.gz GZXVGJYEXRCESN-SECBINFHSA-N 1 2 301.306 1.575 20 5 DDBDLO Cn1c(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000826731011 705859996 /nfs/dbraw/zinc/85/99/96/705859996.db2.gz SFBMDZJRNMZTSI-AWEZNQCLSA-N 1 2 314.345 1.850 20 5 DDBDLO Cn1c(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000826731011 705860001 /nfs/dbraw/zinc/86/00/01/705860001.db2.gz SFBMDZJRNMZTSI-AWEZNQCLSA-N 1 2 314.345 1.850 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886455453 708763133 /nfs/dbraw/zinc/76/31/33/708763133.db2.gz OSZWNOPRQGFRGZ-UHFFFAOYSA-N 1 2 303.322 1.471 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCn3nncc3C2)cc1 ZINC000886455453 708763134 /nfs/dbraw/zinc/76/31/34/708763134.db2.gz OSZWNOPRQGFRGZ-UHFFFAOYSA-N 1 2 303.322 1.471 20 5 DDBDLO COC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000886852251 708864175 /nfs/dbraw/zinc/86/41/75/708864175.db2.gz CEFXLHOSKIDXFQ-NSHDSACASA-N 1 2 309.322 1.534 20 5 DDBDLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000886852251 708864178 /nfs/dbraw/zinc/86/41/78/708864178.db2.gz CEFXLHOSKIDXFQ-NSHDSACASA-N 1 2 309.322 1.534 20 5 DDBDLO O=[N+]([O-])c1ccn(C2CCN(c3nccn4c[nH+]cc34)CC2)n1 ZINC000893546242 710700816 /nfs/dbraw/zinc/70/08/16/710700816.db2.gz RAUZLXSBXPUJSE-UHFFFAOYSA-N 1 2 313.321 1.676 20 5 DDBDLO CON(C)C(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000895040647 711381095 /nfs/dbraw/zinc/38/10/95/711381095.db2.gz BDXSMBYICXDNON-UHFFFAOYSA-N 1 2 319.264 1.306 20 5 DDBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930832979 713931792 /nfs/dbraw/zinc/93/17/92/713931792.db2.gz MPOITAHJIWDSDZ-QJPTWQEYSA-N 1 2 307.350 1.571 20 5 DDBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930832979 713931795 /nfs/dbraw/zinc/93/17/95/713931795.db2.gz MPOITAHJIWDSDZ-QJPTWQEYSA-N 1 2 307.350 1.571 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)CC1(C)C ZINC000931206002 714035566 /nfs/dbraw/zinc/03/55/66/714035566.db2.gz ZRPXIBMMSZJJQI-UHFFFAOYSA-N 1 2 307.350 1.704 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)CC1(C)C ZINC000931206002 714035568 /nfs/dbraw/zinc/03/55/68/714035568.db2.gz ZRPXIBMMSZJJQI-UHFFFAOYSA-N 1 2 307.350 1.704 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000936024576 715144801 /nfs/dbraw/zinc/14/48/01/715144801.db2.gz MTEWYORDCIJZPO-KGLIPLIRSA-N 1 2 300.318 1.748 20 5 DDBDLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001059426800 740916113 /nfs/dbraw/zinc/91/61/13/740916113.db2.gz VASVPPDWCHSXKN-HAQNSBGRSA-N 1 2 315.333 1.620 20 5 DDBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001192730221 745869732 /nfs/dbraw/zinc/86/97/32/745869732.db2.gz GEOKNURBELMTKR-LLVKDONJSA-N 1 2 302.338 1.796 20 5 DDBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001192730221 745869740 /nfs/dbraw/zinc/86/97/40/745869740.db2.gz GEOKNURBELMTKR-LLVKDONJSA-N 1 2 302.338 1.796 20 5 DDBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001192730221 745869747 /nfs/dbraw/zinc/86/97/47/745869747.db2.gz GEOKNURBELMTKR-LLVKDONJSA-N 1 2 302.338 1.796 20 5 DDBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001192730221 745869756 /nfs/dbraw/zinc/86/97/56/745869756.db2.gz GEOKNURBELMTKR-LLVKDONJSA-N 1 2 302.338 1.796 20 5 DDBDLO O=[N+]([O-])c1cc[n+]([O-])c(NCCc2cn3ccccc3[nH+]2)c1F ZINC001169003357 762174092 /nfs/dbraw/zinc/17/40/92/762174092.db2.gz ZRCBLWPPESLJJM-UHFFFAOYSA-N 1 2 317.280 1.670 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)nc1Cl ZINC001155196908 760823593 /nfs/dbraw/zinc/82/35/93/760823593.db2.gz PQNMXRUFAMFVHH-SECBINFHSA-N 1 2 300.746 1.694 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)nc1Cl ZINC001155196908 760823600 /nfs/dbraw/zinc/82/36/00/760823600.db2.gz PQNMXRUFAMFVHH-SECBINFHSA-N 1 2 300.746 1.694 20 5 DDBDLO Cc1ccnc(NCCNC(=O)CCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC001093582452 774859469 /nfs/dbraw/zinc/85/94/69/774859469.db2.gz SDEMUOXHYQTQRQ-UHFFFAOYSA-N 1 2 318.337 1.182 20 5 DDBDLO O=C(CCn1cc[nH+]c1)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094688798 776198272 /nfs/dbraw/zinc/19/82/72/776198272.db2.gz CTNMVGQZWZKXKO-UHFFFAOYSA-N 1 2 318.337 1.195 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094856340 776526040 /nfs/dbraw/zinc/52/60/40/776526040.db2.gz XSLLBKUMNIERID-UHFFFAOYSA-N 1 2 317.349 1.869 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094856340 776526043 /nfs/dbraw/zinc/52/60/43/776526043.db2.gz XSLLBKUMNIERID-UHFFFAOYSA-N 1 2 317.349 1.869 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101718279 777430352 /nfs/dbraw/zinc/43/03/52/777430352.db2.gz PBYHVGDAYUHCKT-UHFFFAOYSA-N 1 2 317.349 1.739 20 5 DDBDLO COC[C@@](C)(CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001175284320 777730545 /nfs/dbraw/zinc/73/05/45/777730545.db2.gz IZBHRGTZZTUIIZ-CQSZACIVSA-N 1 2 322.321 1.132 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001123926124 859477890 /nfs/dbraw/zinc/47/78/90/859477890.db2.gz SHUBCDNXCJDVQV-UHFFFAOYSA-N 1 2 307.285 1.022 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2c(C)cc(C)c([N+](=O)[O-])c2C)C[NH2+]1 ZINC001164304717 869106940 /nfs/dbraw/zinc/10/69/40/869106940.db2.gz CTZKMCJASZOLMV-RYUDHWBXSA-N 1 2 307.350 1.835 20 5 DDBDLO O=[N+]([O-])c1ccc2ncc(N3CC[NH2+]CC(F)(F)C3)nc2c1 ZINC001164488877 869227121 /nfs/dbraw/zinc/22/71/21/869227121.db2.gz OYGBYPBOWHPVET-UHFFFAOYSA-N 1 2 309.276 1.583 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(N2CC[NH2+]CC(F)(F)C2)nc1Cl ZINC001164493044 869231187 /nfs/dbraw/zinc/23/11/87/869231187.db2.gz MJVVVHLLQBQLAK-UHFFFAOYSA-N 1 2 306.700 1.997 20 5 DDBDLO C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC001311608104 871709135 /nfs/dbraw/zinc/70/91/35/871709135.db2.gz ANIIUZNZDJNXDQ-PWSUYJOCSA-N 1 2 315.333 1.776 20 5 DDBDLO Cc1ccc(CNC(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001313154142 871778384 /nfs/dbraw/zinc/77/83/84/871778384.db2.gz BDIBGZKIWOJCDM-UHFFFAOYSA-N 1 2 303.322 1.636 20 5 DDBDLO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001345488469 873419952 /nfs/dbraw/zinc/41/99/52/873419952.db2.gz JUCLQKLMVNTTKY-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC001347597692 874205754 /nfs/dbraw/zinc/20/57/54/874205754.db2.gz RYERSXZWKPHXGH-TVYUQYBPSA-N 1 2 305.334 1.370 20 5 DDBDLO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC001347597692 874205774 /nfs/dbraw/zinc/20/57/74/874205774.db2.gz RYERSXZWKPHXGH-TVYUQYBPSA-N 1 2 305.334 1.370 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001348242710 874445368 /nfs/dbraw/zinc/44/53/68/874445368.db2.gz YZWXDVJXULKKKX-UHFFFAOYSA-N 1 2 318.289 1.030 20 5 DDBDLO O=c1[nH]c(C2CC2)nc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001228610698 883573530 /nfs/dbraw/zinc/57/35/30/883573530.db2.gz YDNWBXOCKOSDRR-SECBINFHSA-N 1 2 317.305 1.558 20 5 DDBDLO COC(=O)c1cc(OC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001228772375 883662335 /nfs/dbraw/zinc/66/23/35/883662335.db2.gz WDTLUUXOPWZYFM-ZDUSSCGKSA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1cc(OC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001228772375 883662345 /nfs/dbraw/zinc/66/23/45/883662345.db2.gz WDTLUUXOPWZYFM-ZDUSSCGKSA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1c(O[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC001229044171 883789148 /nfs/dbraw/zinc/78/91/48/883789148.db2.gz FACSBPGVNZFPNF-LLVKDONJSA-N 1 2 324.333 1.481 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001229056038 883794361 /nfs/dbraw/zinc/79/43/61/883794361.db2.gz JXCMCQXEOOQIHI-NSHDSACASA-N 1 2 324.333 1.481 20 5 DDBDLO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000319271565 231182297 /nfs/dbraw/zinc/18/22/97/231182297.db2.gz FBEGNJRNQYUUQH-CQSZACIVSA-N 1 2 309.341 1.640 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000295844906 529571820 /nfs/dbraw/zinc/57/18/20/529571820.db2.gz VWDVCUTZRVLZHT-UHFFFAOYSA-N 1 2 304.306 1.506 20 5 DDBDLO CN1C(=O)NC2(CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C1=O ZINC000090005498 185276353 /nfs/dbraw/zinc/27/63/53/185276353.db2.gz JCEVAHHSOSYOAX-UHFFFAOYSA-N 1 2 324.362 1.173 20 5 DDBDLO C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000457846015 232140598 /nfs/dbraw/zinc/14/05/98/232140598.db2.gz GJGRYJMVNPRADO-LLVKDONJSA-N 1 2 317.349 1.931 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000457853242 232142520 /nfs/dbraw/zinc/14/25/20/232142520.db2.gz JAPVNMXIQMULCT-UHFFFAOYSA-N 1 2 316.361 1.965 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c[nH+]cn1C ZINC000617410058 363091916 /nfs/dbraw/zinc/09/19/16/363091916.db2.gz RGYVEPKBEVEONJ-UHFFFAOYSA-N 1 2 304.306 1.309 20 5 DDBDLO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023993132 352186862 /nfs/dbraw/zinc/18/68/62/352186862.db2.gz WHOOGSCXHUKRKM-UHFFFAOYSA-N 1 2 313.741 1.643 20 5 DDBDLO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029956947 352247610 /nfs/dbraw/zinc/24/76/10/352247610.db2.gz CTTNROPXGQDVMG-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000491401242 234158030 /nfs/dbraw/zinc/15/80/30/234158030.db2.gz MNYBTGQQBGSSJB-LLPBQKLSSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000491401242 234158031 /nfs/dbraw/zinc/15/80/31/234158031.db2.gz MNYBTGQQBGSSJB-LLPBQKLSSA-N 1 2 319.361 1.445 20 5 DDBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070977097 353188053 /nfs/dbraw/zinc/18/80/53/353188053.db2.gz LAKQOXVVHJEDLF-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO O=[N+]([O-])c1c(SCC[NH+]2CCOCC2)nc2sccn21 ZINC000090069631 353788578 /nfs/dbraw/zinc/78/85/78/353788578.db2.gz ZHYLYPVRRFWOEZ-UHFFFAOYSA-N 1 2 314.392 1.728 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647557 353864752 /nfs/dbraw/zinc/86/47/52/353864752.db2.gz AGZNNJWIZCLBLF-UHFFFAOYSA-N 1 2 303.322 1.729 20 5 DDBDLO O=[N+]([O-])c1cc2c(ncnc2-n2c[nH+]c(CCCO)c2)s1 ZINC000587972476 354888072 /nfs/dbraw/zinc/88/80/72/354888072.db2.gz KRFGJNAUJIFXHO-UHFFFAOYSA-N 1 2 305.319 1.710 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000589502071 354996622 /nfs/dbraw/zinc/99/66/22/354996622.db2.gz JTBRWBJQMGPZIY-NSHDSACASA-N 1 2 308.334 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCOC[C@@H]2C)c1 ZINC000589502071 354996625 /nfs/dbraw/zinc/99/66/25/354996625.db2.gz JTBRWBJQMGPZIY-NSHDSACASA-N 1 2 308.334 1.992 20 5 DDBDLO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000286397623 283074122 /nfs/dbraw/zinc/07/41/22/283074122.db2.gz NMNACGXAJQERBM-ZYHUDNBSSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000286397623 283074125 /nfs/dbraw/zinc/07/41/25/283074125.db2.gz NMNACGXAJQERBM-ZYHUDNBSSA-N 1 2 305.334 1.467 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593685004 355966645 /nfs/dbraw/zinc/96/66/45/355966645.db2.gz CSJJPQFPRIZGKX-TZMCWYRMSA-N 1 2 322.340 1.728 20 5 DDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCc2c[nH+]cn2C1 ZINC000593698941 355970934 /nfs/dbraw/zinc/97/09/34/355970934.db2.gz UKRJWTBRRVNSHI-GFCCVEGCSA-N 1 2 318.308 1.604 20 5 DDBDLO O=C(N[C@@H](CO)CCF)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593860942 356026628 /nfs/dbraw/zinc/02/66/28/356026628.db2.gz BECJYVYOWONHDB-LLVKDONJSA-N 1 2 322.296 1.231 20 5 DDBDLO Cn1cnnc1N1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000594024058 356092762 /nfs/dbraw/zinc/09/27/62/356092762.db2.gz YDXMADHQJCQSTN-UHFFFAOYSA-N 1 2 320.328 1.185 20 5 DDBDLO CCn1cc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])nn1 ZINC000594971356 356365557 /nfs/dbraw/zinc/36/55/57/356365557.db2.gz GGGUPDGKNPAGSS-UHFFFAOYSA-N 1 2 307.310 1.210 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595567666 356556214 /nfs/dbraw/zinc/55/62/14/356556214.db2.gz LTVFSDMDADVOKK-JQWIXIFHSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595567666 356556219 /nfs/dbraw/zinc/55/62/19/356556219.db2.gz LTVFSDMDADVOKK-JQWIXIFHSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595567665 356556346 /nfs/dbraw/zinc/55/63/46/356556346.db2.gz LTVFSDMDADVOKK-CMPLNLGQSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595567665 356556349 /nfs/dbraw/zinc/55/63/49/356556349.db2.gz LTVFSDMDADVOKK-CMPLNLGQSA-N 1 2 312.297 1.090 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3nccnc3C2)cc1 ZINC000595864719 356683139 /nfs/dbraw/zinc/68/31/39/356683139.db2.gz QVENGRVLJQRXIV-UHFFFAOYSA-N 1 2 300.318 1.822 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3nccnc3C2)cc1 ZINC000595864719 356683145 /nfs/dbraw/zinc/68/31/45/356683145.db2.gz QVENGRVLJQRXIV-UHFFFAOYSA-N 1 2 300.318 1.822 20 5 DDBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@](C)(C(F)F)O1 ZINC000595918035 356704250 /nfs/dbraw/zinc/70/42/50/356704250.db2.gz NWQLGLPTINMFEE-CABZTGNLSA-N 1 2 304.297 1.536 20 5 DDBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@](C)(C(F)F)O1 ZINC000595918035 356704253 /nfs/dbraw/zinc/70/42/53/356704253.db2.gz NWQLGLPTINMFEE-CABZTGNLSA-N 1 2 304.297 1.536 20 5 DDBDLO CC[C@H](CO)[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596142759 356790099 /nfs/dbraw/zinc/79/00/99/356790099.db2.gz UCLSEQRCZFNNGZ-SNVBAGLBSA-N 1 2 314.773 1.536 20 5 DDBDLO COc1cc(CN(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OC ZINC000597171645 357082216 /nfs/dbraw/zinc/08/22/16/357082216.db2.gz YNHSIBRYEOJGRL-UHFFFAOYSA-N 1 2 306.322 1.967 20 5 DDBDLO COc1cc(CN(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000597171645 357082218 /nfs/dbraw/zinc/08/22/18/357082218.db2.gz YNHSIBRYEOJGRL-UHFFFAOYSA-N 1 2 306.322 1.967 20 5 DDBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000597942814 357392731 /nfs/dbraw/zinc/39/27/31/357392731.db2.gz DBOSWZRNSRISTN-UHFFFAOYSA-N 1 2 316.321 1.243 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597995008 357410661 /nfs/dbraw/zinc/41/06/61/357410661.db2.gz DDFOWIOTHOSNJG-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597995008 357410666 /nfs/dbraw/zinc/41/06/66/357410666.db2.gz DDFOWIOTHOSNJG-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO COC(=O)c1ccnc(N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598634551 357663481 /nfs/dbraw/zinc/66/34/81/357663481.db2.gz NNRDLJGBLSVHQQ-MRVPVSSYSA-N 1 2 305.294 1.683 20 5 DDBDLO CCOc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598942547 357767810 /nfs/dbraw/zinc/76/78/10/357767810.db2.gz MDPDNWGMXPZXGR-LLVKDONJSA-N 1 2 316.317 1.545 20 5 DDBDLO CNc1c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000598948490 357772245 /nfs/dbraw/zinc/77/22/45/357772245.db2.gz QOLUBXZQMUETEA-SNVBAGLBSA-N 1 2 315.333 1.578 20 5 DDBDLO CS(=O)(=O)NCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599018760 357795401 /nfs/dbraw/zinc/79/54/01/357795401.db2.gz MWPUYLWGVJMCBO-UHFFFAOYSA-N 1 2 310.335 1.104 20 5 DDBDLO O=[N+]([O-])c1c(NC[C@H]2CCS(=O)(=O)C2)ccc2c[nH+]ccc21 ZINC000599020963 357796094 /nfs/dbraw/zinc/79/60/94/357796094.db2.gz WRFZYMVNJDSODW-SNVBAGLBSA-N 1 2 321.358 1.990 20 5 DDBDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599540020 357966760 /nfs/dbraw/zinc/96/67/60/357966760.db2.gz UNTLXYOXGNORRL-BXUZGUMPSA-N 1 2 322.365 1.286 20 5 DDBDLO CNC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599540020 357966763 /nfs/dbraw/zinc/96/67/63/357966763.db2.gz UNTLXYOXGNORRL-BXUZGUMPSA-N 1 2 322.365 1.286 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000600208028 358157619 /nfs/dbraw/zinc/15/76/19/358157619.db2.gz IOPRGPJJKNBGGP-XCHKQJEOSA-N 1 2 319.361 1.574 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000600208028 358157622 /nfs/dbraw/zinc/15/76/22/358157622.db2.gz IOPRGPJJKNBGGP-XCHKQJEOSA-N 1 2 319.361 1.574 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000600419181 358215977 /nfs/dbraw/zinc/21/59/77/358215977.db2.gz FLVVIZCWGZXLMG-LBPRGKRZSA-N 1 2 321.377 1.319 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000600419181 358215978 /nfs/dbraw/zinc/21/59/78/358215978.db2.gz FLVVIZCWGZXLMG-LBPRGKRZSA-N 1 2 321.377 1.319 20 5 DDBDLO COC1CC[NH+](Cc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000600966292 358361151 /nfs/dbraw/zinc/36/11/51/358361151.db2.gz LXSYXWQNFBHFTO-UHFFFAOYSA-N 1 2 317.349 1.786 20 5 DDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165692 358428905 /nfs/dbraw/zinc/42/89/05/358428905.db2.gz SPQMJQVCXVMEKK-ZYHUDNBSSA-N 1 2 310.329 1.428 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000601962993 358755323 /nfs/dbraw/zinc/75/53/23/358755323.db2.gz ITFYVTYDVFKZST-GFCCVEGCSA-N 1 2 308.334 1.199 20 5 DDBDLO Cn1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602809124 359205517 /nfs/dbraw/zinc/20/55/17/359205517.db2.gz YTARNPFHWHAQHT-LBPRGKRZSA-N 1 2 310.741 1.805 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000602901315 359282039 /nfs/dbraw/zinc/28/20/39/359282039.db2.gz AWYCCOJXBFBFON-UHFFFAOYSA-N 1 2 318.333 1.700 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000602901315 359282046 /nfs/dbraw/zinc/28/20/46/359282046.db2.gz AWYCCOJXBFBFON-UHFFFAOYSA-N 1 2 318.333 1.700 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603214222 359486974 /nfs/dbraw/zinc/48/69/74/359486974.db2.gz HEGHXKZWVUSIAH-GXFFZTMASA-N 1 2 303.322 1.457 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000194603199 201260951 /nfs/dbraw/zinc/26/09/51/201260951.db2.gz DYDGUTHWFPQSLP-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000194905094 201309871 /nfs/dbraw/zinc/30/98/71/201309871.db2.gz IUSHPFGIONGMAY-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000194905094 201309875 /nfs/dbraw/zinc/30/98/75/201309875.db2.gz IUSHPFGIONGMAY-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000275227459 212210470 /nfs/dbraw/zinc/21/04/70/212210470.db2.gz VFAYTOPWEMITOR-SNVBAGLBSA-N 1 2 318.337 1.321 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000266324247 205266578 /nfs/dbraw/zinc/26/65/78/205266578.db2.gz FYQZRYZCMRWFNG-LBPRGKRZSA-N 1 2 308.382 1.651 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000267897824 206326293 /nfs/dbraw/zinc/32/62/93/206326293.db2.gz WYOSKFSPEIRCNJ-ZDUSSCGKSA-N 1 2 307.350 1.689 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000267897824 206326297 /nfs/dbraw/zinc/32/62/97/206326297.db2.gz WYOSKFSPEIRCNJ-ZDUSSCGKSA-N 1 2 307.350 1.689 20 5 DDBDLO COCCOC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413179261 533046726 /nfs/dbraw/zinc/04/67/26/533046726.db2.gz CLAQONJWZKCMQF-UHFFFAOYSA-N 1 2 303.318 1.995 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270298327 208371096 /nfs/dbraw/zinc/37/10/96/208371096.db2.gz QXFBKCZSNNJZEE-LBPRGKRZSA-N 1 2 317.349 1.722 20 5 DDBDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000156889001 197148649 /nfs/dbraw/zinc/14/86/49/197148649.db2.gz OFNNTANNFWUQMC-DFBGVHRSSA-N 1 2 310.350 1.100 20 5 DDBDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000156889001 197148651 /nfs/dbraw/zinc/14/86/51/197148651.db2.gz OFNNTANNFWUQMC-DFBGVHRSSA-N 1 2 310.350 1.100 20 5 DDBDLO COc1c(C(=O)NCCc2cn(C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000457846901 533389878 /nfs/dbraw/zinc/38/98/78/533389878.db2.gz CFTGLMCWKYAXGU-UHFFFAOYSA-N 1 2 304.306 1.309 20 5 DDBDLO COc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000494310869 533562838 /nfs/dbraw/zinc/56/28/38/533562838.db2.gz DRMZIMXXZRWAMQ-LBPRGKRZSA-N 1 2 321.333 1.630 20 5 DDBDLO COc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000494310869 533562845 /nfs/dbraw/zinc/56/28/45/533562845.db2.gz DRMZIMXXZRWAMQ-LBPRGKRZSA-N 1 2 321.333 1.630 20 5 DDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078544621 407033312 /nfs/dbraw/zinc/03/33/12/407033312.db2.gz SBQSKRZFMGPMBG-LBPRGKRZSA-N 1 2 321.381 1.352 20 5 DDBDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000151728584 407486978 /nfs/dbraw/zinc/48/69/78/407486978.db2.gz LRQFMLLCKQKKIN-UONOGXRCSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000151728584 407486981 /nfs/dbraw/zinc/48/69/81/407486981.db2.gz LRQFMLLCKQKKIN-UONOGXRCSA-N 1 2 305.334 1.058 20 5 DDBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000170767518 407499100 /nfs/dbraw/zinc/49/91/00/407499100.db2.gz TWIDJUIWKXPYAI-LBPRGKRZSA-N 1 2 319.361 1.595 20 5 DDBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000170767518 407499108 /nfs/dbraw/zinc/49/91/08/407499108.db2.gz TWIDJUIWKXPYAI-LBPRGKRZSA-N 1 2 319.361 1.595 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000266970751 407698605 /nfs/dbraw/zinc/69/86/05/407698605.db2.gz LTIWKLNTGUOZMM-UHFFFAOYSA-N 1 2 303.322 1.745 20 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408390941 /nfs/dbraw/zinc/39/09/41/408390941.db2.gz XOOQGCUWGSKLFO-UONOGXRCSA-N 1 2 307.350 1.085 20 5 DDBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264549073 408531965 /nfs/dbraw/zinc/53/19/65/408531965.db2.gz UBFGZJLBGMDSRI-UHFFFAOYSA-N 1 2 303.322 1.940 20 5 DDBDLO C[C@@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177374125 408592313 /nfs/dbraw/zinc/59/23/13/408592313.db2.gz KTBBSPPKLGLRSM-OAHLLOKOSA-N 1 2 316.317 1.377 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000192567170 408611480 /nfs/dbraw/zinc/61/14/80/408611480.db2.gz GIKRWSNTBHTQNM-LBPRGKRZSA-N 1 2 307.350 1.042 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265634494 408723071 /nfs/dbraw/zinc/72/30/71/408723071.db2.gz HAJWLSQTNZJVSS-GXFFZTMASA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265634494 408723088 /nfs/dbraw/zinc/72/30/88/408723088.db2.gz 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O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000532397488 303285077 /nfs/dbraw/zinc/28/50/77/303285077.db2.gz UFMDGJHQQSGXLF-UHFFFAOYSA-N 1 2 316.317 1.541 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000536021449 303354020 /nfs/dbraw/zinc/35/40/20/303354020.db2.gz ICRMZQHDALRILH-UHFFFAOYSA-N 1 2 321.406 1.708 20 5 DDBDLO Cc1cnn([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000363448332 307028199 /nfs/dbraw/zinc/02/81/99/307028199.db2.gz FNPBONZBRQFZBX-GFCCVEGCSA-N 1 2 304.354 1.670 20 5 DDBDLO Cc1cnn([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000363448332 307028200 /nfs/dbraw/zinc/02/82/00/307028200.db2.gz FNPBONZBRQFZBX-GFCCVEGCSA-N 1 2 304.354 1.670 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364004396 307039482 /nfs/dbraw/zinc/03/94/82/307039482.db2.gz WFVAYVVQGBRHGK-JTQLQIEISA-N 1 2 302.294 1.272 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000377166455 307264948 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1.863 20 5 DDBDLO Cc1cc(OCC(=O)OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000797495253 700012133 /nfs/dbraw/zinc/01/21/33/700012133.db2.gz VWSBJASUWPHYPI-UHFFFAOYSA-N 1 2 305.290 1.722 20 5 DDBDLO COCCC[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000066371276 696351831 /nfs/dbraw/zinc/35/18/31/696351831.db2.gz ZZCCCYNOUABGRM-UHFFFAOYSA-N 1 2 307.306 1.117 20 5 DDBDLO COCCC[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000066371276 696351834 /nfs/dbraw/zinc/35/18/34/696351834.db2.gz ZZCCCYNOUABGRM-UHFFFAOYSA-N 1 2 307.306 1.117 20 5 DDBDLO C[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000125145526 696750016 /nfs/dbraw/zinc/75/00/16/696750016.db2.gz QLEYWDCGNCNBCQ-JTQLQIEISA-N 1 2 309.347 1.898 20 5 DDBDLO C[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000125145526 696750018 /nfs/dbraw/zinc/75/00/18/696750018.db2.gz QLEYWDCGNCNBCQ-JTQLQIEISA-N 1 2 309.347 1.898 20 5 DDBDLO O=C(NCCn1cc[nH+]c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778235516 698252086 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DDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000805475051 701384292 /nfs/dbraw/zinc/38/42/92/701384292.db2.gz WEYIQDKTMBOUPW-CQSZACIVSA-N 1 2 324.333 1.238 20 5 DDBDLO CCN1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000851715222 703835325 /nfs/dbraw/zinc/83/53/25/703835325.db2.gz OALGRAAEYUXVMI-OAHLLOKOSA-N 1 2 318.377 1.338 20 5 DDBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852050891 703912581 /nfs/dbraw/zinc/91/25/81/703912581.db2.gz UJTNXYHFEAKJTA-JTQLQIEISA-N 1 2 312.326 1.602 20 5 DDBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852050891 703912585 /nfs/dbraw/zinc/91/25/85/703912585.db2.gz UJTNXYHFEAKJTA-JTQLQIEISA-N 1 2 312.326 1.602 20 5 DDBDLO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CCOC1 ZINC000853493880 704249741 /nfs/dbraw/zinc/24/97/41/704249741.db2.gz IAGMDBAVGNZVBQ-LLVKDONJSA-N 1 2 303.322 1.532 20 5 DDBDLO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CCOC1 ZINC000853493880 704249744 /nfs/dbraw/zinc/24/97/44/704249744.db2.gz IAGMDBAVGNZVBQ-LLVKDONJSA-N 1 2 303.322 1.532 20 5 DDBDLO O=C(NCCCn1cc[nH+]c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823534788 705262758 /nfs/dbraw/zinc/26/27/58/705262758.db2.gz VRPUVDBAUDIPOT-ZDUSSCGKSA-N 1 2 304.306 1.031 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877788589 706213160 /nfs/dbraw/zinc/21/31/60/706213160.db2.gz WCURBJLQZDOKBG-OLZOCXBDSA-N 1 2 310.375 1.461 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877788589 706213162 /nfs/dbraw/zinc/21/31/62/706213162.db2.gz WCURBJLQZDOKBG-OLZOCXBDSA-N 1 2 310.375 1.461 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877788586 706213191 /nfs/dbraw/zinc/21/31/91/706213191.db2.gz WCURBJLQZDOKBG-CHWSQXEVSA-N 1 2 310.375 1.461 20 5 DDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877788586 706213192 /nfs/dbraw/zinc/21/31/92/706213192.db2.gz WCURBJLQZDOKBG-CHWSQXEVSA-N 1 2 310.375 1.461 20 5 DDBDLO O=C(OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835091359 707170127 /nfs/dbraw/zinc/17/01/27/707170127.db2.gz JLKSWGFYXLZZAB-LLVKDONJSA-N 1 2 317.301 1.974 20 5 DDBDLO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000881768928 707360389 /nfs/dbraw/zinc/36/03/89/707360389.db2.gz JUNBBFOUVJBOQE-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000882331897 707588273 /nfs/dbraw/zinc/58/82/73/707588273.db2.gz MHIMEQXPAIXYIW-CHWSQXEVSA-N 1 2 313.398 1.001 20 5 DDBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886120649 708701867 /nfs/dbraw/zinc/70/18/67/708701867.db2.gz KZNMZULAHSRDON-CYBMUJFWSA-N 1 2 303.318 1.822 20 5 DDBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886224260 708718903 /nfs/dbraw/zinc/71/89/03/708718903.db2.gz YBGFMUCCZVKHOE-GFCCVEGCSA-N 1 2 308.338 1.652 20 5 DDBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886224260 708718904 /nfs/dbraw/zinc/71/89/04/708718904.db2.gz YBGFMUCCZVKHOE-GFCCVEGCSA-N 1 2 308.338 1.652 20 5 DDBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886358319 708748767 /nfs/dbraw/zinc/74/87/67/708748767.db2.gz SOXWUZYLPPHGIQ-RISCZKNCSA-N 1 2 310.350 1.832 20 5 DDBDLO CC(C)OC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000899901263 709231230 /nfs/dbraw/zinc/23/12/30/709231230.db2.gz HHGOVKYEWBDFRQ-LBPRGKRZSA-N 1 2 310.350 1.444 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928636607 713244168 /nfs/dbraw/zinc/24/41/68/713244168.db2.gz SGKZSYZXZOMBFM-CYBMUJFWSA-N 1 2 307.350 1.435 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895245595 711463338 /nfs/dbraw/zinc/46/33/38/711463338.db2.gz GOMIIKIAYJDLQL-JQWIXIFHSA-N 1 2 310.402 1.166 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000895245595 711463340 /nfs/dbraw/zinc/46/33/40/711463340.db2.gz GOMIIKIAYJDLQL-JQWIXIFHSA-N 1 2 310.402 1.166 20 5 DDBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000931665971 714155267 /nfs/dbraw/zinc/15/52/67/714155267.db2.gz FNCQIYVMVIRDLL-ZDUSSCGKSA-N 1 2 314.313 1.602 20 5 DDBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000931676480 714158894 /nfs/dbraw/zinc/15/88/94/714158894.db2.gz ZQTNXAYOMXBWPT-CYBMUJFWSA-N 1 2 314.313 1.602 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933896745 714695661 /nfs/dbraw/zinc/69/56/61/714695661.db2.gz OVXSAQBFRVBELN-CYBMUJFWSA-N 1 2 308.334 1.941 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933896745 714695662 /nfs/dbraw/zinc/69/56/62/714695662.db2.gz OVXSAQBFRVBELN-CYBMUJFWSA-N 1 2 308.334 1.941 20 5 DDBDLO COc1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1[N+](=O)[O-] ZINC001168367450 743013404 /nfs/dbraw/zinc/01/34/04/743013404.db2.gz NQGOHNTZCUGGPL-SNVBAGLBSA-N 1 2 308.338 1.274 20 5 DDBDLO COc1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1[N+](=O)[O-] ZINC001168367450 743013413 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CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000362195069 300026328 /nfs/dbraw/zinc/02/63/28/300026328.db2.gz PGKOSKFTNLPXRL-GFCCVEGCSA-N 1 2 324.381 1.882 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364086171 300342657 /nfs/dbraw/zinc/34/26/57/300342657.db2.gz AUTQKXOBZFTHMW-GFCCVEGCSA-N 1 2 301.306 1.999 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000364436515 300397553 /nfs/dbraw/zinc/39/75/53/300397553.db2.gz FHYHXSYDVFKNJD-INIZCTEOSA-N 1 2 321.377 1.888 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368504814 301042916 /nfs/dbraw/zinc/04/29/16/301042916.db2.gz SDICCRDUEXHITK-BBRMVZONSA-N 1 2 319.361 1.750 20 5 DDBDLO O=C1OC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370555259 301363849 /nfs/dbraw/zinc/36/38/49/301363849.db2.gz CIBRJYAIUXTVLW-LBPRGKRZSA-N 1 2 307.306 1.110 20 5 DDBDLO O=C1OC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370555259 301363850 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Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000377784849 302232747 /nfs/dbraw/zinc/23/27/47/302232747.db2.gz PYBCWAQXGOMZBV-JTQLQIEISA-N 1 2 310.745 1.625 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000377784849 302232750 /nfs/dbraw/zinc/23/27/50/302232750.db2.gz PYBCWAQXGOMZBV-JTQLQIEISA-N 1 2 310.745 1.625 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357319280 306876222 /nfs/dbraw/zinc/87/62/22/306876222.db2.gz BBMKFKLKZLIYLI-LLVKDONJSA-N 1 2 317.349 1.671 20 5 DDBDLO COc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000531823622 303259682 /nfs/dbraw/zinc/25/96/82/303259682.db2.gz SKWZDWBVBGJSRE-JTQLQIEISA-N 1 2 313.329 1.875 20 5 DDBDLO COc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000531823622 303259683 /nfs/dbraw/zinc/25/96/83/303259683.db2.gz SKWZDWBVBGJSRE-JTQLQIEISA-N 1 2 313.329 1.875 20 5 DDBDLO CS(=O)(=O)c1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000531832063 303260074 /nfs/dbraw/zinc/26/00/74/303260074.db2.gz YFPBFMMLRAIKJA-UHFFFAOYSA-N 1 2 322.346 1.256 20 5 DDBDLO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000285641051 303380156 /nfs/dbraw/zinc/38/01/56/303380156.db2.gz FXOUYERFYRXSHD-UHFFFAOYSA-N 1 2 323.349 1.270 20 5 DDBDLO Cn1cc[nH+]c1CN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000357617269 306899274 /nfs/dbraw/zinc/89/92/74/306899274.db2.gz WEYXLRHOBRXMCK-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000363679604 307033302 /nfs/dbraw/zinc/03/33/02/307033302.db2.gz QHFDLQBLRYWLGM-STQMWFEESA-N 1 2 304.350 1.174 20 5 DDBDLO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000364805369 307051870 /nfs/dbraw/zinc/05/18/70/307051870.db2.gz HFJPIQPARPKHDM-MNOVXSKESA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000364805369 307051871 /nfs/dbraw/zinc/05/18/71/307051871.db2.gz HFJPIQPARPKHDM-MNOVXSKESA-N 1 2 305.334 1.657 20 5 DDBDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000373309812 307184269 /nfs/dbraw/zinc/18/42/69/307184269.db2.gz ICGYIYKRMTWEDB-UHFFFAOYSA-N 1 2 315.333 1.214 20 5 DDBDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587711 307190779 /nfs/dbraw/zinc/19/07/79/307190779.db2.gz YNTGQCUXBOJRLX-OLZOCXBDSA-N 1 2 323.397 1.589 20 5 DDBDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587711 307190780 /nfs/dbraw/zinc/19/07/80/307190780.db2.gz YNTGQCUXBOJRLX-OLZOCXBDSA-N 1 2 323.397 1.589 20 5 DDBDLO CC1(C)C[NH+](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573383950 308239311 /nfs/dbraw/zinc/23/93/11/308239311.db2.gz LOEYTCXMPZLXBH-UHFFFAOYSA-N 1 2 307.350 1.432 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000580544826 308612228 /nfs/dbraw/zinc/61/22/28/308612228.db2.gz FVGYQKJUUBMLDM-UHFFFAOYSA-N 1 2 308.725 1.841 20 5 DDBDLO CO[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000487987929 484211905 /nfs/dbraw/zinc/21/19/05/484211905.db2.gz MGSPCFBOXNWDJY-LERXQTSPSA-N 1 2 323.349 1.267 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOC[C@@H]1CCCO1)CCO2 ZINC000564411653 484338500 /nfs/dbraw/zinc/33/85/00/484338500.db2.gz HGTNIGQHGLXNJR-HNNXBMFYSA-N 1 2 322.361 1.985 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOC[C@@H]1CCCO1)CCO2 ZINC000564411653 484338506 /nfs/dbraw/zinc/33/85/06/484338506.db2.gz HGTNIGQHGLXNJR-HNNXBMFYSA-N 1 2 322.361 1.985 20 5 DDBDLO CCOC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776581497 698121129 /nfs/dbraw/zinc/12/11/29/698121129.db2.gz IRKATBOWZULCJU-CQSZACIVSA-N 1 2 310.350 1.902 20 5 DDBDLO CCOC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776581497 698121132 /nfs/dbraw/zinc/12/11/32/698121132.db2.gz IRKATBOWZULCJU-CQSZACIVSA-N 1 2 310.350 1.902 20 5 DDBDLO O=C1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000776586230 698122067 /nfs/dbraw/zinc/12/20/67/698122067.db2.gz LAIOXHQMVLOSEX-ZNMIVQPWSA-N 1 2 319.361 1.371 20 5 DDBDLO O=C1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000776586230 698122069 /nfs/dbraw/zinc/12/20/69/698122069.db2.gz LAIOXHQMVLOSEX-ZNMIVQPWSA-N 1 2 319.361 1.371 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000776769260 698137886 /nfs/dbraw/zinc/13/78/86/698137886.db2.gz WFPKQJIZHYCHCD-CQSZACIVSA-N 1 2 306.297 1.481 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000776769260 698137888 /nfs/dbraw/zinc/13/78/88/698137888.db2.gz WFPKQJIZHYCHCD-CQSZACIVSA-N 1 2 306.297 1.481 20 5 DDBDLO O=C1N(C[N@@H+]2CCCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752789837 700387814 /nfs/dbraw/zinc/38/78/14/700387814.db2.gz QDHYZYDTMNBGAC-UHFFFAOYSA-N 1 2 320.349 1.517 20 5 DDBDLO O=C1N(C[N@H+]2CCCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752789837 700387818 /nfs/dbraw/zinc/38/78/18/700387818.db2.gz QDHYZYDTMNBGAC-UHFFFAOYSA-N 1 2 320.349 1.517 20 5 DDBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(N(C)C)[nH+]1 ZINC000759984416 700786154 /nfs/dbraw/zinc/78/61/54/700786154.db2.gz VQNCLFRKJGMOJA-UHFFFAOYSA-N 1 2 316.321 1.594 20 5 DDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)OCc1cccc2[nH+]ccn21 ZINC000770922293 701300131 /nfs/dbraw/zinc/30/01/31/701300131.db2.gz JCSKLDLTUIZEPE-UHFFFAOYSA-N 1 2 301.262 1.182 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000805472535 701383974 /nfs/dbraw/zinc/38/39/74/701383974.db2.gz JTEZMGWEGOOMBC-SMDDNHRTSA-N 1 2 308.334 1.920 20 5 DDBDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000805472535 701383976 /nfs/dbraw/zinc/38/39/76/701383976.db2.gz JTEZMGWEGOOMBC-SMDDNHRTSA-N 1 2 308.334 1.920 20 5 DDBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2C)C1 ZINC000805478418 701385039 /nfs/dbraw/zinc/38/50/39/701385039.db2.gz UULGHTGMOGALIU-AWEZNQCLSA-N 1 2 308.334 1.667 20 5 DDBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cccc([N+](=O)[O-])c2C)C1 ZINC000805478418 701385041 /nfs/dbraw/zinc/38/50/41/701385041.db2.gz UULGHTGMOGALIU-AWEZNQCLSA-N 1 2 308.334 1.667 20 5 DDBDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533246 701727564 /nfs/dbraw/zinc/72/75/64/701727564.db2.gz QOKSYPRJRSERCJ-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839533246 701727573 /nfs/dbraw/zinc/72/75/73/701727573.db2.gz QOKSYPRJRSERCJ-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO CC[N@H+](C[C@H](C)OC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000812303907 702143855 /nfs/dbraw/zinc/14/38/55/702143855.db2.gz SHXYDJBFLRBKSY-JTQLQIEISA-N 1 2 321.333 1.505 20 5 DDBDLO CC[N@@H+](C[C@H](C)OC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000812303907 702143859 /nfs/dbraw/zinc/14/38/59/702143859.db2.gz SHXYDJBFLRBKSY-JTQLQIEISA-N 1 2 321.333 1.505 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000817364257 702353465 /nfs/dbraw/zinc/35/34/65/702353465.db2.gz CHEDGHYPDHWFAQ-LBPRGKRZSA-N 1 2 303.322 1.112 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000817364257 702353471 /nfs/dbraw/zinc/35/34/71/702353471.db2.gz CHEDGHYPDHWFAQ-LBPRGKRZSA-N 1 2 303.322 1.112 20 5 DDBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCCOCC1 ZINC000848477802 703554921 /nfs/dbraw/zinc/55/49/21/703554921.db2.gz YOHDRAJKRIYUGE-HNNXBMFYSA-N 1 2 319.361 1.591 20 5 DDBDLO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCCOCC1 ZINC000848477802 703554922 /nfs/dbraw/zinc/55/49/22/703554922.db2.gz YOHDRAJKRIYUGE-HNNXBMFYSA-N 1 2 319.361 1.591 20 5 DDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831853071 706792962 /nfs/dbraw/zinc/79/29/62/706792962.db2.gz NRCDLTIIMRZGTJ-STQMWFEESA-N 1 2 313.398 1.144 20 5 DDBDLO C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000867221871 706929230 /nfs/dbraw/zinc/92/92/30/706929230.db2.gz IBKRJEBXGUEAFY-LLPBQKLSSA-N 1 2 319.361 1.660 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000874698780 705131907 /nfs/dbraw/zinc/13/19/07/705131907.db2.gz BZKTTZUHSUVGCV-CYBMUJFWSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000874698780 705131909 /nfs/dbraw/zinc/13/19/09/705131909.db2.gz BZKTTZUHSUVGCV-CYBMUJFWSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(=O)N1CCOCC1 ZINC000876540151 705751344 /nfs/dbraw/zinc/75/13/44/705751344.db2.gz FCVULYSKHWVRER-UHFFFAOYSA-N 1 2 321.377 1.502 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000876540151 705751347 /nfs/dbraw/zinc/75/13/47/705751347.db2.gz FCVULYSKHWVRER-UHFFFAOYSA-N 1 2 321.377 1.502 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865508251 706449625 /nfs/dbraw/zinc/44/96/25/706449625.db2.gz DPISVDANNAYPMK-JTQLQIEISA-N 1 2 313.329 1.359 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865508251 706449628 /nfs/dbraw/zinc/44/96/28/706449628.db2.gz DPISVDANNAYPMK-JTQLQIEISA-N 1 2 313.329 1.359 20 5 DDBDLO CC(C)(C)OC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000871991622 707271635 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DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000322108430 354535100 /nfs/dbraw/zinc/53/51/00/354535100.db2.gz UINLVLBHTZBPIE-LBPRGKRZSA-N 1 2 324.381 1.906 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000322108430 354535104 /nfs/dbraw/zinc/53/51/04/354535104.db2.gz UINLVLBHTZBPIE-LBPRGKRZSA-N 1 2 324.381 1.906 20 5 DDBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000318925439 354518634 /nfs/dbraw/zinc/51/86/34/354518634.db2.gz NYVXLRNXBGJDLU-GFCCVEGCSA-N 1 2 310.354 1.517 20 5 DDBDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000318925439 354518637 /nfs/dbraw/zinc/51/86/37/354518637.db2.gz NYVXLRNXBGJDLU-GFCCVEGCSA-N 1 2 310.354 1.517 20 5 DDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1F ZINC000587036271 354879390 /nfs/dbraw/zinc/87/93/90/354879390.db2.gz SYFQBJLUQLRANT-SECBINFHSA-N 1 2 304.281 1.675 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000589502034 354996903 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DETVHRABVMQFQS-DGCLKSJQSA-N 1 2 324.381 1.986 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000593080184 355788650 /nfs/dbraw/zinc/78/86/50/355788650.db2.gz JIYOIBBODWLCJA-FZMZJTMJSA-N 1 2 324.333 1.236 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000593080184 355788654 /nfs/dbraw/zinc/78/86/54/355788654.db2.gz JIYOIBBODWLCJA-FZMZJTMJSA-N 1 2 324.333 1.236 20 5 DDBDLO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108401 356114773 /nfs/dbraw/zinc/11/47/73/356114773.db2.gz UKXYKRSKFHKZCO-UPJWGTAASA-N 1 2 321.377 1.822 20 5 DDBDLO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108401 356114776 /nfs/dbraw/zinc/11/47/76/356114776.db2.gz UKXYKRSKFHKZCO-UPJWGTAASA-N 1 2 321.377 1.822 20 5 DDBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000594018513 356091301 /nfs/dbraw/zinc/09/13/01/356091301.db2.gz YFVIDFWELQSKEB-LBPRGKRZSA-N 1 2 322.283 1.966 20 5 DDBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000594018513 356091302 /nfs/dbraw/zinc/09/13/02/356091302.db2.gz YFVIDFWELQSKEB-LBPRGKRZSA-N 1 2 322.283 1.966 20 5 DDBDLO Cc1ccc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595383940 356473745 /nfs/dbraw/zinc/47/37/45/356473745.db2.gz RKXLDQCQFOLTGN-JTQLQIEISA-N 1 2 324.362 1.676 20 5 DDBDLO Cc1noc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595465122 356503425 /nfs/dbraw/zinc/50/34/25/356503425.db2.gz FQDBFWSVENOUKZ-SNVBAGLBSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595465122 356503427 /nfs/dbraw/zinc/50/34/27/356503427.db2.gz FQDBFWSVENOUKZ-SNVBAGLBSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595474381 356507672 /nfs/dbraw/zinc/50/76/72/356507672.db2.gz DYWRQPBMIYIFKW-ZDUSSCGKSA-N 1 2 324.381 1.435 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595474381 356507674 /nfs/dbraw/zinc/50/76/74/356507674.db2.gz DYWRQPBMIYIFKW-ZDUSSCGKSA-N 1 2 324.381 1.435 20 5 DDBDLO Cc1nnc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000595705326 356616063 /nfs/dbraw/zinc/61/60/63/356616063.db2.gz SVVJSYYVFCKQSU-LBPRGKRZSA-N 1 2 322.321 1.158 20 5 DDBDLO Cc1nnc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000595705326 356616069 /nfs/dbraw/zinc/61/60/69/356616069.db2.gz SVVJSYYVFCKQSU-LBPRGKRZSA-N 1 2 322.321 1.158 20 5 DDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000597448534 357180294 /nfs/dbraw/zinc/18/02/94/357180294.db2.gz AEBBXIRPILNNNL-ZIAGYGMSSA-N 1 2 314.345 1.791 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597995833 357411846 /nfs/dbraw/zinc/41/18/46/357411846.db2.gz GPGCXLGADQROEK-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597995833 357411852 /nfs/dbraw/zinc/41/18/52/357411852.db2.gz GPGCXLGADQROEK-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000598000976 357416953 /nfs/dbraw/zinc/41/69/53/357416953.db2.gz WPNFWSNSJTYYHQ-OLZOCXBDSA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000598000976 357416958 /nfs/dbraw/zinc/41/69/58/357416958.db2.gz WPNFWSNSJTYYHQ-OLZOCXBDSA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@@H](O)C1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000598384446 357559918 /nfs/dbraw/zinc/55/99/18/357559918.db2.gz DRPORDZWJLYXTP-SNVBAGLBSA-N 1 2 316.317 1.424 20 5 DDBDLO COc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1F ZINC000598940966 357766295 /nfs/dbraw/zinc/76/62/95/357766295.db2.gz ZJTRSYMRRFBTEW-QMMMGPOBSA-N 1 2 320.280 1.294 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](CO)[C@H](O)C1 ZINC000599078636 357808904 /nfs/dbraw/zinc/80/89/04/357808904.db2.gz JCQDEAYYHPCCJC-BXUZGUMPSA-N 1 2 303.318 1.323 20 5 DDBDLO CN1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1=O 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PZUVYCCDIMQZED-CYBMUJFWSA-N 1 2 320.353 1.726 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000348094106 283365606 /nfs/dbraw/zinc/36/56/06/283365606.db2.gz FOQWQFXNASIOEQ-RKDXNWHRSA-N 1 2 319.321 1.964 20 5 DDBDLO COCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602435903 358974766 /nfs/dbraw/zinc/97/47/66/358974766.db2.gz WDDPQLHRZFBAPT-UHFFFAOYSA-N 1 2 304.350 1.977 20 5 DDBDLO COCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602435903 358974772 /nfs/dbraw/zinc/97/47/72/358974772.db2.gz WDDPQLHRZFBAPT-UHFFFAOYSA-N 1 2 304.350 1.977 20 5 DDBDLO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602662638 359109541 /nfs/dbraw/zinc/10/95/41/359109541.db2.gz QINLDTMQXTUHHR-NXEZZACHSA-N 1 2 322.287 1.321 20 5 DDBDLO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602662638 359109544 /nfs/dbraw/zinc/10/95/44/359109544.db2.gz QINLDTMQXTUHHR-NXEZZACHSA-N 1 2 322.287 1.321 20 5 DDBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604481370 359755408 /nfs/dbraw/zinc/75/54/08/359755408.db2.gz KRGDQVUBNUKVCY-UHFFFAOYSA-N 1 2 300.318 1.669 20 5 DDBDLO C[N@H+](Cc1cn[nH]c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610662158 360494963 /nfs/dbraw/zinc/49/49/63/360494963.db2.gz PTXSDWCKPWSMQH-AWEZNQCLSA-N 1 2 315.333 1.555 20 5 DDBDLO C[N@@H+](Cc1cn[nH]c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000610662158 360494968 /nfs/dbraw/zinc/49/49/68/360494968.db2.gz PTXSDWCKPWSMQH-AWEZNQCLSA-N 1 2 315.333 1.555 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611088489 360620236 /nfs/dbraw/zinc/62/02/36/360620236.db2.gz ZGJLAAPFXSAASL-JTQLQIEISA-N 1 2 309.370 1.437 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611088489 360620238 /nfs/dbraw/zinc/62/02/38/360620238.db2.gz ZGJLAAPFXSAASL-JTQLQIEISA-N 1 2 309.370 1.437 20 5 DDBDLO Cn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)nn1 ZINC000611931462 360861932 /nfs/dbraw/zinc/86/19/32/360861932.db2.gz XJVBXRBNTYBDLJ-UHFFFAOYSA-N 1 2 313.264 1.615 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000612107986 360922218 /nfs/dbraw/zinc/92/22/18/360922218.db2.gz IUFQYHAUIBQVGA-RISCZKNCSA-N 1 2 310.375 1.853 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000612107986 360922225 /nfs/dbraw/zinc/92/22/25/360922225.db2.gz IUFQYHAUIBQVGA-RISCZKNCSA-N 1 2 310.375 1.853 20 5 DDBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281386344 216265705 /nfs/dbraw/zinc/26/57/05/216265705.db2.gz PNUAXKKDFWAXIE-BXUZGUMPSA-N 1 2 310.350 1.902 20 5 DDBDLO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281386344 216265708 /nfs/dbraw/zinc/26/57/08/216265708.db2.gz PNUAXKKDFWAXIE-BXUZGUMPSA-N 1 2 310.350 1.902 20 5 DDBDLO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000091773836 193106059 /nfs/dbraw/zinc/10/60/59/193106059.db2.gz RSPGHHRUPYFDIG-SOFGYWHQSA-N 1 2 321.377 1.645 20 5 DDBDLO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000091773836 193106060 /nfs/dbraw/zinc/10/60/60/193106060.db2.gz RSPGHHRUPYFDIG-SOFGYWHQSA-N 1 2 321.377 1.645 20 5 DDBDLO CC(C)OCC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000349248698 283882699 /nfs/dbraw/zinc/88/26/99/283882699.db2.gz AQCLJLSUCXEOTP-AWEZNQCLSA-N 1 2 324.377 1.834 20 5 DDBDLO COc1cc(C[NH2+][C@H](CO)c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000275126806 212136996 /nfs/dbraw/zinc/13/69/96/212136996.db2.gz BAJJHNFNGJDEFT-GFCCVEGCSA-N 1 2 324.312 1.299 20 5 DDBDLO CC1=CC[N@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000349971873 284123868 /nfs/dbraw/zinc/12/38/68/284123868.db2.gz LQMVXOPQHWRBSG-UHFFFAOYSA-N 1 2 305.334 1.682 20 5 DDBDLO CC1=CC[N@@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000349971873 284123871 /nfs/dbraw/zinc/12/38/71/284123871.db2.gz LQMVXOPQHWRBSG-UHFFFAOYSA-N 1 2 305.334 1.682 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000275026423 212080645 /nfs/dbraw/zinc/08/06/45/212080645.db2.gz VHUZYABCQNQSMH-WCQYABFASA-N 1 2 323.349 1.030 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000275026423 212080646 /nfs/dbraw/zinc/08/06/46/212080646.db2.gz VHUZYABCQNQSMH-WCQYABFASA-N 1 2 323.349 1.030 20 5 DDBDLO O=C(CC[NH+]1CC(OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337034894 249324373 /nfs/dbraw/zinc/32/43/73/249324373.db2.gz IBTNEMPZLXGXLG-UHFFFAOYSA-N 1 2 315.276 1.847 20 5 DDBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273962985 211217890 /nfs/dbraw/zinc/21/78/90/211217890.db2.gz GSUHYRRXJKHAPI-VHSXEESVSA-N 1 2 318.337 1.401 20 5 DDBDLO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159469228 197356253 /nfs/dbraw/zinc/35/62/53/197356253.db2.gz SPMAYMLFMKFJHW-UHFFFAOYSA-N 1 2 318.333 1.968 20 5 DDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118450 250301586 /nfs/dbraw/zinc/30/15/86/250301586.db2.gz LUBDVYFUSYQKKS-LQJRIPTKSA-N 1 2 305.334 1.386 20 5 DDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118450 250301589 /nfs/dbraw/zinc/30/15/89/250301589.db2.gz LUBDVYFUSYQKKS-LQJRIPTKSA-N 1 2 305.334 1.386 20 5 DDBDLO COc1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352370942 285001983 /nfs/dbraw/zinc/00/19/83/285001983.db2.gz FLUPBAURJIGHCN-INIZCTEOSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352370942 285001989 /nfs/dbraw/zinc/00/19/89/285001989.db2.gz FLUPBAURJIGHCN-INIZCTEOSA-N 1 2 322.361 1.985 20 5 DDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(C)(=O)=O ZINC000112704468 285103762 /nfs/dbraw/zinc/10/37/62/285103762.db2.gz HPZHRNSPFLAEGF-LLVKDONJSA-N 1 2 300.380 1.850 20 5 DDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(C)(=O)=O ZINC000112704468 285103764 /nfs/dbraw/zinc/10/37/64/285103764.db2.gz HPZHRNSPFLAEGF-LLVKDONJSA-N 1 2 300.380 1.850 20 5 DDBDLO O=C1NC[C@H]2[C@H]1CCC[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] 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321.377 1.510 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CSc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000570158044 304399146 /nfs/dbraw/zinc/39/91/46/304399146.db2.gz LJXUDKOVRWQYAZ-MRVPVSSYSA-N 1 2 314.392 1.727 20 5 DDBDLO C[N@H+]1CCO[C@@H](CSc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000570158044 304399147 /nfs/dbraw/zinc/39/91/47/304399147.db2.gz LJXUDKOVRWQYAZ-MRVPVSSYSA-N 1 2 314.392 1.727 20 5 DDBDLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000014193224 406872697 /nfs/dbraw/zinc/87/26/97/406872697.db2.gz COTHISNJXPBNMO-UHFFFAOYSA-N 1 2 321.333 1.372 20 5 DDBDLO CCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122838195 407312370 /nfs/dbraw/zinc/31/23/70/407312370.db2.gz KASQBNRCINETAS-UHFFFAOYSA-N 1 2 314.773 1.802 20 5 DDBDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cn2)CC1 ZINC000178752397 407584624 /nfs/dbraw/zinc/58/46/24/407584624.db2.gz RLYOERPIQNNVDF-NSHDSACASA-N 1 2 324.406 1.635 20 5 DDBDLO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000114858726 407630219 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1.371 20 5 DDBDLO O=C1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2N1 ZINC000269683172 408389849 /nfs/dbraw/zinc/38/98/49/408389849.db2.gz YRODWYFKXKEJKL-ZNMIVQPWSA-N 1 2 319.361 1.371 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183580724 408446265 /nfs/dbraw/zinc/44/62/65/408446265.db2.gz CSFITQANOBEBQG-UHFFFAOYSA-N 1 2 323.353 1.176 20 5 DDBDLO CN(CC[N@H+](C)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000160542201 408495164 /nfs/dbraw/zinc/49/51/64/408495164.db2.gz SJBWHEXJEACNAQ-UHFFFAOYSA-N 1 2 313.358 1.548 20 5 DDBDLO CN(CC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000160542201 408495168 /nfs/dbraw/zinc/49/51/68/408495168.db2.gz SJBWHEXJEACNAQ-UHFFFAOYSA-N 1 2 313.358 1.548 20 5 DDBDLO Cc1cc(NC(C)(CO)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000161168553 408566641 /nfs/dbraw/zinc/56/66/41/408566641.db2.gz YFAZSBBUKKYEDG-UHFFFAOYSA-N 1 2 318.333 1.515 20 5 DDBDLO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185275325 408789674 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ZINC000295944322 409379617 /nfs/dbraw/zinc/37/96/17/409379617.db2.gz GXFXOQBQUNAZLX-UHFFFAOYSA-N 1 2 303.322 1.608 20 5 DDBDLO CCC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000280685246 409409060 /nfs/dbraw/zinc/40/90/60/409409060.db2.gz ITMGLRVSTMAHEL-ZDUSSCGKSA-N 1 2 320.393 1.845 20 5 DDBDLO CCC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000280685246 409409066 /nfs/dbraw/zinc/40/90/66/409409066.db2.gz ITMGLRVSTMAHEL-ZDUSSCGKSA-N 1 2 320.393 1.845 20 5 DDBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000349245497 409765342 /nfs/dbraw/zinc/76/53/42/409765342.db2.gz RNUWWSAUZNAEKF-VIFPVBQESA-N 1 2 320.305 1.881 20 5 DDBDLO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000338098893 409719685 /nfs/dbraw/zinc/71/96/85/409719685.db2.gz VLAQGHSEWGRRMT-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000338098893 409719696 /nfs/dbraw/zinc/71/96/96/409719696.db2.gz VLAQGHSEWGRRMT-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000318481713 409878457 /nfs/dbraw/zinc/87/84/57/409878457.db2.gz BRRYIIQNOSFIQG-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO C[N@@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000318481713 409878470 /nfs/dbraw/zinc/87/84/70/409878470.db2.gz BRRYIIQNOSFIQG-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO O=C(NCC[NH+]1CCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347259785 410426927 /nfs/dbraw/zinc/42/69/27/410426927.db2.gz KLWMWOGGJCXKPS-UHFFFAOYSA-N 1 2 312.301 1.188 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000298881927 410435665 /nfs/dbraw/zinc/43/56/65/410435665.db2.gz ORBTXJZGFFEUKU-UHFFFAOYSA-N 1 2 315.333 1.276 20 5 DDBDLO CCn1nccc1C[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000355533068 410565653 /nfs/dbraw/zinc/56/56/53/410565653.db2.gz OSOTXIOOJDBVEL-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000355533068 410565655 /nfs/dbraw/zinc/56/56/55/410565655.db2.gz OSOTXIOOJDBVEL-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@]1(CO)CCOC1 ZINC000359787046 410880530 /nfs/dbraw/zinc/88/05/30/410880530.db2.gz CDBIFNQEARKMDQ-HNNXBMFYSA-N 1 2 324.333 1.045 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@]1(CO)CCOC1 ZINC000359787046 410880536 /nfs/dbraw/zinc/88/05/36/410880536.db2.gz CDBIFNQEARKMDQ-HNNXBMFYSA-N 1 2 324.333 1.045 20 5 DDBDLO Cn1c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000337658611 410924259 /nfs/dbraw/zinc/92/42/59/410924259.db2.gz OWXMVIZCUWDCQF-LBPRGKRZSA-N 1 2 315.333 1.115 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+]CCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000353439948 410988371 /nfs/dbraw/zinc/98/83/71/410988371.db2.gz XVTBWCSSECTKAL-AWEZNQCLSA-N 1 2 320.349 1.016 20 5 DDBDLO CC[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000129181408 196027016 /nfs/dbraw/zinc/02/70/16/196027016.db2.gz TYXOCFMSWSZYAP-UHFFFAOYSA-N 1 2 313.379 1.062 20 5 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324.362 1.158 20 5 DDBDLO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000458235637 420645164 /nfs/dbraw/zinc/64/51/64/420645164.db2.gz YFGBRBLVIPKPAN-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCC[C@H](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000458235637 420645168 /nfs/dbraw/zinc/64/51/68/420645168.db2.gz YFGBRBLVIPKPAN-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000493217556 420790435 /nfs/dbraw/zinc/79/04/35/420790435.db2.gz DAICOMHVASBUNS-VOTSOKGWSA-N 1 2 301.306 1.882 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456413152 421162639 /nfs/dbraw/zinc/16/26/39/421162639.db2.gz HXMYEZSNMCKPEC-CBAPKCEASA-N 1 2 303.278 1.328 20 5 DDBDLO Cc1nc(N)c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000573953070 422039464 /nfs/dbraw/zinc/03/94/64/422039464.db2.gz YHPMPBJCGRKJNJ-UHFFFAOYSA-N 1 2 321.724 1.859 20 5 DDBDLO Nc1ccc(NCCCc2[nH]c3ccccc3[nH+]2)nc1[N+](=O)[O-] ZINC000590574936 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302352058 /nfs/dbraw/zinc/35/20/58/302352058.db2.gz DXCALOIERMZDDL-CHWSQXEVSA-N 1 2 306.366 1.598 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000542610151 303442606 /nfs/dbraw/zinc/44/26/06/303442606.db2.gz CDMAOTSOJLPUIX-SKDRFNHKSA-N 1 2 322.321 1.377 20 5 DDBDLO O=[N+]([O-])c1cc2c(ncnc2N2CC(n3cc[nH+]c3)C2)s1 ZINC000561232808 303836450 /nfs/dbraw/zinc/83/64/50/303836450.db2.gz BYIPCDLXVKUBTB-UHFFFAOYSA-N 1 2 302.319 1.857 20 5 DDBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000366147142 307068598 /nfs/dbraw/zinc/06/85/98/307068598.db2.gz ZFIHYKAIYBWLCC-FZMZJTMJSA-N 1 2 315.333 1.910 20 5 DDBDLO Cc1c(CC(=O)N2CC(n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000533488011 307639663 /nfs/dbraw/zinc/63/96/63/307639663.db2.gz OEVMVHSWLHELNT-UHFFFAOYSA-N 1 2 300.318 1.726 20 5 DDBDLO CNC(=O)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000749043756 700145119 /nfs/dbraw/zinc/14/51/19/700145119.db2.gz ULARXYJJRUGSOW-UHFFFAOYSA-N 1 2 318.289 1.073 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/nfs/dbraw/zinc/95/50/96/701955096.db2.gz MNMSQUBITVVMMO-ABAIWWIYSA-N 1 2 305.334 1.974 20 5 DDBDLO CC[C@@H]1CC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840075796 701955101 /nfs/dbraw/zinc/95/51/01/701955101.db2.gz MNMSQUBITVVMMO-ABAIWWIYSA-N 1 2 305.334 1.974 20 5 DDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC3(C1)CCOC3)OCCO2 ZINC000816670273 702139727 /nfs/dbraw/zinc/13/97/27/702139727.db2.gz PZOZTXDCKDMWEG-UHFFFAOYSA-N 1 2 306.318 1.588 20 5 DDBDLO COCC[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000843192181 702838286 /nfs/dbraw/zinc/83/82/86/702838286.db2.gz SIWQFQJDAFGTBU-UHFFFAOYSA-N 1 2 306.322 1.613 20 5 DDBDLO Cn1nc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1Cl ZINC000859238252 704830405 /nfs/dbraw/zinc/83/04/05/704830405.db2.gz WRZYTJXYHJXQCZ-UHFFFAOYSA-N 1 2 307.741 1.935 20 5 DDBDLO Cn1nc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1Cl ZINC000859238252 704830408 /nfs/dbraw/zinc/83/04/08/704830408.db2.gz WRZYTJXYHJXQCZ-UHFFFAOYSA-N 1 2 307.741 1.935 20 5 DDBDLO Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000825641548 705707876 /nfs/dbraw/zinc/70/78/76/705707876.db2.gz YYABVIMGJYKAOP-CYBMUJFWSA-N 1 2 314.345 1.979 20 5 DDBDLO C/C(=C\C(=O)NC[C@H]1COCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000862970987 705839926 /nfs/dbraw/zinc/83/99/26/705839926.db2.gz NSIYEGLMHDFXDR-RZXPCSSPSA-N 1 2 319.361 1.445 20 5 DDBDLO C/C(=C\C(=O)NC[C@H]1COCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000862970987 705839930 /nfs/dbraw/zinc/83/99/30/705839930.db2.gz NSIYEGLMHDFXDR-RZXPCSSPSA-N 1 2 319.361 1.445 20 5 DDBDLO Cc1c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000877788038 706212627 /nfs/dbraw/zinc/21/26/27/706212627.db2.gz CJLILLYMUVEXJN-ZIAGYGMSSA-N 1 2 324.402 1.770 20 5 DDBDLO Cc1c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000877788038 706212630 /nfs/dbraw/zinc/21/26/30/706212630.db2.gz CJLILLYMUVEXJN-ZIAGYGMSSA-N 1 2 324.402 1.770 20 5 DDBDLO C[C@H]1C[N@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865496676 706446924 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309.341 1.639 20 5 DDBDLO C[N@H+]1CCO[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000332511665 529790538 /nfs/dbraw/zinc/79/05/38/529790538.db2.gz IAWLZGPCNURZEV-GJZGRUSLSA-N 1 2 309.341 1.639 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354087928 290898457 /nfs/dbraw/zinc/89/84/57/290898457.db2.gz IEMMPEBLEGQPOR-SNVBAGLBSA-N 1 2 303.278 1.006 20 5 DDBDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026489638 352210114 /nfs/dbraw/zinc/21/01/14/352210114.db2.gz UECHEGKKPGERQD-LBPRGKRZSA-N 1 2 321.381 1.027 20 5 DDBDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000026737819 352211410 /nfs/dbraw/zinc/21/14/10/352211410.db2.gz DWIAWHOUMXWUAY-UHFFFAOYSA-N 1 2 304.306 1.962 20 5 DDBDLO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000026737819 352211412 /nfs/dbraw/zinc/21/14/12/352211412.db2.gz DWIAWHOUMXWUAY-UHFFFAOYSA-N 1 2 304.306 1.962 20 5 DDBDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072577555 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COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C)CC1 ZINC000277733553 409000854 /nfs/dbraw/zinc/00/08/54/409000854.db2.gz HXSGMBYSCYVMIH-UHFFFAOYSA-N 1 2 313.741 1.787 20 5 DDBDLO Cc1c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000279423845 409212263 /nfs/dbraw/zinc/21/22/63/409212263.db2.gz YITQRVGHBFQNSW-GFCCVEGCSA-N 1 2 321.377 1.696 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912251 409237579 /nfs/dbraw/zinc/23/75/79/409237579.db2.gz GCMXKRCZPFAPHK-NSHDSACASA-N 1 2 304.306 1.651 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912251 409237583 /nfs/dbraw/zinc/23/75/83/409237583.db2.gz GCMXKRCZPFAPHK-NSHDSACASA-N 1 2 304.306 1.651 20 5 DDBDLO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000338098891 409721063 /nfs/dbraw/zinc/72/10/63/409721063.db2.gz VLAQGHSEWGRRMT-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000338098891 409721067 /nfs/dbraw/zinc/72/10/67/409721067.db2.gz VLAQGHSEWGRRMT-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO Cc1nc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000297418945 409913918 /nfs/dbraw/zinc/91/39/18/409913918.db2.gz HBEZPTXBGNPYFX-ZWNOBZJWSA-N 1 2 302.338 1.977 20 5 DDBDLO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1[N+](=O)[O-] ZINC000332201771 409974751 /nfs/dbraw/zinc/97/47/51/409974751.db2.gz DKTZXJNARDQIHJ-HIFRSBDPSA-N 1 2 307.350 1.118 20 5 DDBDLO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1[N+](=O)[O-] ZINC000332201771 409974755 /nfs/dbraw/zinc/97/47/55/409974755.db2.gz DKTZXJNARDQIHJ-HIFRSBDPSA-N 1 2 307.350 1.118 20 5 DDBDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000332201771 409974760 /nfs/dbraw/zinc/97/47/60/409974760.db2.gz DKTZXJNARDQIHJ-HIFRSBDPSA-N 1 2 307.350 1.118 20 5 DDBDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000332201771 409974765 /nfs/dbraw/zinc/97/47/65/409974765.db2.gz DKTZXJNARDQIHJ-HIFRSBDPSA-N 1 2 307.350 1.118 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000298281621 410164564 /nfs/dbraw/zinc/16/45/64/410164564.db2.gz SFPLNOWERMBPCD-UHFFFAOYSA-N 1 2 318.337 1.172 20 5 DDBDLO Cc1cccc(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)[nH+]1 ZINC000343220874 410248158 /nfs/dbraw/zinc/24/81/58/410248158.db2.gz BBMLATZVYOSDJD-UHFFFAOYSA-N 1 2 312.333 2.386 20 5 DDBDLO CCN(CCOC)c1cccc(Cn2ncc([N+](=O)[O-])c2N)[nH+]1 ZINC000351914061 410335636 /nfs/dbraw/zinc/33/56/36/410335636.db2.gz YRJDQWGNZFWMEE-UHFFFAOYSA-N 1 2 320.353 1.290 20 5 DDBDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000343688148 410620320 /nfs/dbraw/zinc/62/03/20/410620320.db2.gz KVNZAHSMMNGVDW-SNVBAGLBSA-N 1 2 302.338 1.842 20 5 DDBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000330453015 410703052 /nfs/dbraw/zinc/70/30/52/410703052.db2.gz LJAAOBOUSNOYJP-BLLLJJGKSA-N 1 2 321.377 1.453 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000330453015 410703058 /nfs/dbraw/zinc/70/30/58/410703058.db2.gz LJAAOBOUSNOYJP-BLLLJJGKSA-N 1 2 321.377 1.453 20 5 DDBDLO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000330453015 410703066 /nfs/dbraw/zinc/70/30/66/410703066.db2.gz LJAAOBOUSNOYJP-BLLLJJGKSA-N 1 2 321.377 1.453 20 5 DDBDLO CC(C)COC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347778135 410716249 /nfs/dbraw/zinc/71/62/49/410716249.db2.gz CGLBZMWNAHYWSS-CQSZACIVSA-N 1 2 309.366 1.381 20 5 DDBDLO CC(C)COC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347778135 410716256 /nfs/dbraw/zinc/71/62/56/410716256.db2.gz CGLBZMWNAHYWSS-CQSZACIVSA-N 1 2 309.366 1.381 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340193100 410739831 /nfs/dbraw/zinc/73/98/31/410739831.db2.gz SGMBWIRLLBJLPE-PSASIEDQSA-N 1 2 322.287 1.606 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340193100 410739836 /nfs/dbraw/zinc/73/98/36/410739836.db2.gz SGMBWIRLLBJLPE-PSASIEDQSA-N 1 2 322.287 1.606 20 5 DDBDLO CC1(C)C[S@](=O)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000348211413 410857355 /nfs/dbraw/zinc/85/73/55/410857355.db2.gz PMINDDMPBRLCOG-OAQYLSRUSA-N 1 2 312.391 1.817 20 5 DDBDLO CC1(C)C[S@](=O)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000348211413 410857365 /nfs/dbraw/zinc/85/73/65/410857365.db2.gz PMINDDMPBRLCOG-OAQYLSRUSA-N 1 2 312.391 1.817 20 5 DDBDLO COc1c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000356156224 410865842 /nfs/dbraw/zinc/86/58/42/410865842.db2.gz SJLXJUXTWKYJAE-NSHDSACASA-N 1 2 318.333 1.866 20 5 DDBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000302837604 410873435 /nfs/dbraw/zinc/87/34/35/410873435.db2.gz NFISPVPNSWBERA-CYBMUJFWSA-N 1 2 312.391 1.994 20 5 DDBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000302837604 410873441 /nfs/dbraw/zinc/87/34/41/410873441.db2.gz NFISPVPNSWBERA-CYBMUJFWSA-N 1 2 312.391 1.994 20 5 DDBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000331144139 410977263 /nfs/dbraw/zinc/97/72/63/410977263.db2.gz GCEGRYWNJOGTOM-ICAYICBHSA-N 1 2 312.391 1.815 20 5 DDBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000331144139 410977268 /nfs/dbraw/zinc/97/72/68/410977268.db2.gz GCEGRYWNJOGTOM-ICAYICBHSA-N 1 2 312.391 1.815 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000344347694 411093826 /nfs/dbraw/zinc/09/38/26/411093826.db2.gz NYUQHEGKOZKLGO-JTQLQIEISA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000344347694 411093829 /nfs/dbraw/zinc/09/38/29/411093829.db2.gz NYUQHEGKOZKLGO-JTQLQIEISA-N 1 2 300.318 1.914 20 5 DDBDLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373569143 418439669 /nfs/dbraw/zinc/43/96/69/418439669.db2.gz TXKKLBCZLJYBAK-RYUDHWBXSA-N 1 2 309.370 1.343 20 5 DDBDLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373569143 418439671 /nfs/dbraw/zinc/43/96/71/418439671.db2.gz TXKKLBCZLJYBAK-RYUDHWBXSA-N 1 2 309.370 1.343 20 5 DDBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366697966 418506669 /nfs/dbraw/zinc/50/66/69/418506669.db2.gz RDDXDXZULZSXNL-ZDUSSCGKSA-N 1 2 317.349 1.327 20 5 DDBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366697966 418506670 /nfs/dbraw/zinc/50/66/70/418506670.db2.gz RDDXDXZULZSXNL-ZDUSSCGKSA-N 1 2 317.349 1.327 20 5 DDBDLO CNc1c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000361209079 418606001 /nfs/dbraw/zinc/60/60/01/418606001.db2.gz CMHRYPFLISTIQF-LLVKDONJSA-N 1 2 317.349 1.899 20 5 DDBDLO CCC[N@H+](CC(=O)NC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361266965 418615593 /nfs/dbraw/zinc/61/55/93/418615593.db2.gz QDDAMEKIUHTBPV-UHFFFAOYSA-N 1 2 305.338 1.429 20 5 DDBDLO CCC[N@@H+](CC(=O)NC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361266965 418615596 /nfs/dbraw/zinc/61/55/96/418615596.db2.gz QDDAMEKIUHTBPV-UHFFFAOYSA-N 1 2 305.338 1.429 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000372550730 418883120 /nfs/dbraw/zinc/88/31/20/418883120.db2.gz PCPVVGLSBHDEIL-JTQLQIEISA-N 1 2 318.308 1.984 20 5 DDBDLO O=c1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000365144042 418839065 /nfs/dbraw/zinc/83/90/65/418839065.db2.gz HKYJVCFTPDUAOL-UHFFFAOYSA-N 1 2 315.333 1.413 20 5 DDBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411883490 419450403 /nfs/dbraw/zinc/45/04/03/419450403.db2.gz ZHTQXKTZCUSANC-OAHLLOKOSA-N 1 2 319.361 1.695 20 5 DDBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411883490 419450408 /nfs/dbraw/zinc/45/04/08/419450408.db2.gz ZHTQXKTZCUSANC-OAHLLOKOSA-N 1 2 319.361 1.695 20 5 DDBDLO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000412027671 419570853 /nfs/dbraw/zinc/57/08/53/419570853.db2.gz QKDDBSSYTAKNSJ-GXSJLCMTSA-N 1 2 324.362 1.537 20 5 DDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCn2c[nH+]cc2C1 ZINC000427503496 419678295 /nfs/dbraw/zinc/67/82/95/419678295.db2.gz BVAQOEAYDQDQET-UHFFFAOYSA-N 1 2 322.271 1.654 20 5 DDBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421769514 419721492 /nfs/dbraw/zinc/72/14/92/419721492.db2.gz SDHJCGRLHOXVAQ-UHFFFAOYSA-N 1 2 321.377 1.616 20 5 DDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428366149 419853700 /nfs/dbraw/zinc/85/37/00/419853700.db2.gz GAJRYTLVTRHVES-JTQLQIEISA-N 1 2 302.290 1.242 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000432927014 229138205 /nfs/dbraw/zinc/13/82/05/229138205.db2.gz JHLGBBLTLXJQOC-CYBMUJFWSA-N 1 2 308.382 1.764 20 5 DDBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213267 420092170 /nfs/dbraw/zinc/09/21/70/420092170.db2.gz SQULAPVIIBLTKY-UHFFFAOYSA-N 1 2 309.366 1.904 20 5 DDBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213267 420092175 /nfs/dbraw/zinc/09/21/75/420092175.db2.gz SQULAPVIIBLTKY-UHFFFAOYSA-N 1 2 309.366 1.904 20 5 DDBDLO COC(=O)c1conc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000425586060 420421467 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1 2 314.345 1.979 20 5 DDBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000826729846 705860150 /nfs/dbraw/zinc/86/01/50/705860150.db2.gz KEXJMZZRFZUOFT-AWEZNQCLSA-N 1 2 315.333 1.094 20 5 DDBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000826729846 705860153 /nfs/dbraw/zinc/86/01/53/705860153.db2.gz KEXJMZZRFZUOFT-AWEZNQCLSA-N 1 2 315.333 1.094 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nnnn1C1CC1 ZINC000873065534 707715886 /nfs/dbraw/zinc/71/58/86/707715886.db2.gz RVZCVTDUGBINID-UHFFFAOYSA-N 1 2 302.338 1.823 20 5 DDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886202722 708714061 /nfs/dbraw/zinc/71/40/61/708714061.db2.gz CKGMAGXJXYAMCP-GXTWGEPZSA-N 1 2 306.366 1.285 20 5 DDBDLO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000910282596 709864265 /nfs/dbraw/zinc/86/42/65/709864265.db2.gz HNHSEIWLYZBUTG-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000910282596 709864269 /nfs/dbraw/zinc/86/42/69/709864269.db2.gz HNHSEIWLYZBUTG-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO Cc1nc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000931624579 714141001 /nfs/dbraw/zinc/14/10/01/714141001.db2.gz SVVIFTGHKWAYTQ-UHFFFAOYSA-N 1 2 316.365 1.652 20 5 DDBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C[C@@H]21 ZINC000932054131 714247412 /nfs/dbraw/zinc/24/74/12/714247412.db2.gz MRPUSOPZLPAKKH-JFGNBEQYSA-N 1 2 309.322 1.522 20 5 DDBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C[C@@H]21 ZINC000932054131 714247413 /nfs/dbraw/zinc/24/74/13/714247413.db2.gz MRPUSOPZLPAKKH-JFGNBEQYSA-N 1 2 309.322 1.522 20 5 DDBDLO Cn1cc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c([N+](=O)[O-])n1 ZINC000932602543 714365762 /nfs/dbraw/zinc/36/57/62/714365762.db2.gz YXPXGRUTGSUTQC-UHFFFAOYSA-N 1 2 302.338 1.418 20 5 DDBDLO Cn1cc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c([N+](=O)[O-])n1 ZINC000932602543 714365765 /nfs/dbraw/zinc/36/57/65/714365765.db2.gz YXPXGRUTGSUTQC-UHFFFAOYSA-N 1 2 302.338 1.418 20 5 DDBDLO CCn1c[nH+]c2c1CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000933257672 714548544 /nfs/dbraw/zinc/54/85/44/714548544.db2.gz LYEHVHGTTHRSIT-UHFFFAOYSA-N 1 2 317.349 1.031 20 5 DDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001164635568 719204631 /nfs/dbraw/zinc/20/46/31/719204631.db2.gz JEFANLVAFHWUEM-RKDXNWHRSA-N 1 2 300.746 1.410 20 5 DDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001164635568 719204632 /nfs/dbraw/zinc/20/46/32/719204632.db2.gz JEFANLVAFHWUEM-RKDXNWHRSA-N 1 2 300.746 1.410 20 5 DDBDLO CS(=O)(=O)c1ccc(NCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001167618255 734837064 /nfs/dbraw/zinc/83/70/64/734837064.db2.gz GNUFFVLGCDYGIZ-UHFFFAOYSA-N 1 2 322.346 1.588 20 5 DDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775880 736853722 /nfs/dbraw/zinc/85/37/22/736853722.db2.gz PDKAKJNTODKMKZ-RSXBCCATSA-N 1 2 320.176 1.017 20 5 DDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775880 736853726 /nfs/dbraw/zinc/85/37/26/736853726.db2.gz PDKAKJNTODKMKZ-RSXBCCATSA-N 1 2 320.176 1.017 20 5 DDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001187807981 744610569 /nfs/dbraw/zinc/61/05/69/744610569.db2.gz VCEVWYIJQUKBBD-UWVGGRQHSA-N 1 2 310.285 1.735 20 5 DDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001187807981 744610571 /nfs/dbraw/zinc/61/05/71/744610571.db2.gz VCEVWYIJQUKBBD-UWVGGRQHSA-N 1 2 310.285 1.735 20 5 DDBDLO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCc1c[nH]c[nH+]1 ZINC001102021287 777802419 /nfs/dbraw/zinc/80/24/19/777802419.db2.gz IBKRYPRTJIMFMB-UHFFFAOYSA-N 1 2 318.337 1.216 20 5 DDBDLO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCc1c[nH+]c[nH]1 ZINC001102021287 777802431 /nfs/dbraw/zinc/80/24/31/777802431.db2.gz IBKRYPRTJIMFMB-UHFFFAOYSA-N 1 2 318.337 1.216 20 5 DDBDLO CC(=O)N(C)CC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001102409584 778120214 /nfs/dbraw/zinc/12/02/14/778120214.db2.gz JGQWUFAOSLEXLV-UHFFFAOYSA-N 1 2 324.356 1.334 20 5 DDBDLO CC(=O)c1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001226293064 882332700 /nfs/dbraw/zinc/33/27/00/882332700.db2.gz SCGQMKVDFGKANN-GHJWDPDVSA-N 1 2 318.329 1.980 20 5 DDBDLO CC(=O)c1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001226293064 882332714 /nfs/dbraw/zinc/33/27/14/882332714.db2.gz SCGQMKVDFGKANN-GHJWDPDVSA-N 1 2 318.329 1.980 20 5 DDBDLO O=[N+]([O-])CC[N@@H+](CCO)Cc1ccc(Br)s1 ZINC001341362450 871622918 /nfs/dbraw/zinc/62/29/18/871622918.db2.gz XSDZKCRSZNSHRT-UHFFFAOYSA-N 1 2 309.185 1.582 20 5 DDBDLO O=[N+]([O-])CC[N@H+](CCO)Cc1ccc(Br)s1 ZINC001341362450 871622923 /nfs/dbraw/zinc/62/29/23/871622923.db2.gz XSDZKCRSZNSHRT-UHFFFAOYSA-N 1 2 309.185 1.582 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CSc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001345733108 873492801 /nfs/dbraw/zinc/49/28/01/873492801.db2.gz MQGYRPMVQMMKKL-SNVBAGLBSA-N 1 2 308.363 1.665 20 5 DDBDLO C[N@H+]1CCO[C@@H](CSc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001345733108 873492802 /nfs/dbraw/zinc/49/28/02/873492802.db2.gz MQGYRPMVQMMKKL-SNVBAGLBSA-N 1 2 308.363 1.665 20 5 DDBDLO OC[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232218700 886166755 /nfs/dbraw/zinc/16/67/55/886166755.db2.gz KCFUYRBXMFQTEQ-MRXNPFEDSA-N 1 2 309.369 1.976 20 5 DDBDLO OC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCO1 ZINC001232218700 886166764 /nfs/dbraw/zinc/16/67/64/886166764.db2.gz KCFUYRBXMFQTEQ-MRXNPFEDSA-N 1 2 309.369 1.976 20 5 DDBDLO COC(=O)N1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550347 896499311 /nfs/dbraw/zinc/49/93/11/896499311.db2.gz HYWGFTBSSFBXJL-LBPRGKRZSA-N 1 2 307.350 1.910 20 5 DDBDLO C[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC001260177058 899073246 /nfs/dbraw/zinc/07/32/46/899073246.db2.gz NPEYZTGHVHQTGM-MRVPVSSYSA-N 1 2 300.278 1.867 20 5 DDBDLO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncc(C2CC2)o1 ZINC001264985230 901393354 /nfs/dbraw/zinc/39/33/54/901393354.db2.gz RFGIDRNSOZOIIZ-VXGBXAGGSA-N 1 2 322.365 1.155 20 5 DDBDLO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncc(C2CC2)o1 ZINC001264985230 901393366 /nfs/dbraw/zinc/39/33/66/901393366.db2.gz RFGIDRNSOZOIIZ-VXGBXAGGSA-N 1 2 322.365 1.155 20 5 DDBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000076744806 185037501 /nfs/dbraw/zinc/03/75/01/185037501.db2.gz DWPVUSLJXHUXLI-CYBMUJFWSA-N 1 2 312.391 1.912 20 5 DDBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000076744806 185037503 /nfs/dbraw/zinc/03/75/03/185037503.db2.gz DWPVUSLJXHUXLI-CYBMUJFWSA-N 1 2 312.391 1.912 20 5 DDBDLO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000081801742 192326682 /nfs/dbraw/zinc/32/66/82/192326682.db2.gz XRTZRGZIBFIVDY-GFCCVEGCSA-N 1 2 302.334 1.786 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000304032697 230900673 /nfs/dbraw/zinc/90/06/73/230900673.db2.gz GQLGCDLNWJXKKO-LBPRGKRZSA-N 1 2 321.377 1.935 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](F)C1 ZINC000452350724 231357046 /nfs/dbraw/zinc/35/70/46/231357046.db2.gz DDYPTVGHEQUEDD-LLVKDONJSA-N 1 2 304.281 1.965 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000295772428 529571254 /nfs/dbraw/zinc/57/12/54/529571254.db2.gz PHWPMBOLCSKCBO-UHFFFAOYSA-N 1 2 304.306 1.506 20 5 DDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000295573351 529579439 /nfs/dbraw/zinc/57/94/39/529579439.db2.gz VAHIIWQCPOIZNL-UHFFFAOYSA-N 1 2 324.362 1.598 20 5 DDBDLO C[C@H]1C[NH+](CCN(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)O1 ZINC000345389724 282959701 /nfs/dbraw/zinc/95/97/01/282959701.db2.gz PQVWZKCHIOFYOJ-RYUDHWBXSA-N 1 2 324.381 1.115 20 5 DDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@]1(CO)CCOC1 ZINC000444688377 530023461 /nfs/dbraw/zinc/02/34/61/530023461.db2.gz JHEMJJHEFQWVSX-AWEZNQCLSA-N 1 2 306.322 1.054 20 5 DDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@]1(CO)CCOC1 ZINC000444688377 530023462 /nfs/dbraw/zinc/02/34/62/530023462.db2.gz JHEMJJHEFQWVSX-AWEZNQCLSA-N 1 2 306.322 1.054 20 5 DDBDLO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277205824 213367058 /nfs/dbraw/zinc/36/70/58/213367058.db2.gz MXLIMFXCUATCND-XUSGNXJCSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000277205824 213367062 /nfs/dbraw/zinc/36/70/62/213367062.db2.gz MXLIMFXCUATCND-XUSGNXJCSA-N 1 2 312.391 1.817 20 5 DDBDLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048615545 352543910 /nfs/dbraw/zinc/54/39/10/352543910.db2.gz FMTLFNXUVDTPCF-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048615545 352543913 /nfs/dbraw/zinc/54/39/13/352543913.db2.gz FMTLFNXUVDTPCF-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000052669843 352621801 /nfs/dbraw/zinc/62/18/01/352621801.db2.gz LUSRYJFVLYXFOT-GFCCVEGCSA-N 1 2 313.379 1.108 20 5 DDBDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000052669843 352621803 /nfs/dbraw/zinc/62/18/03/352621803.db2.gz LUSRYJFVLYXFOT-GFCCVEGCSA-N 1 2 313.379 1.108 20 5 DDBDLO COc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000173493244 198220948 /nfs/dbraw/zinc/22/09/48/198220948.db2.gz AWJFLBCLHAIWDC-UHFFFAOYSA-N 1 2 323.349 1.146 20 5 DDBDLO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182081411 199384442 /nfs/dbraw/zinc/38/44/42/199384442.db2.gz FJGZWUZWQQWBJN-QWRGUYRKSA-N 1 2 307.350 1.903 20 5 DDBDLO CCOC(=O)C1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000081017562 353645295 /nfs/dbraw/zinc/64/52/95/353645295.db2.gz MKLXILLCCMMYJL-UHFFFAOYSA-N 1 2 308.334 1.485 20 5 DDBDLO CS(=O)(=O)c1cccc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000089619590 353776489 /nfs/dbraw/zinc/77/64/89/353776489.db2.gz FIAHDGQBGAFMSQ-UHFFFAOYSA-N 1 2 324.362 1.697 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601292340 358481460 /nfs/dbraw/zinc/48/14/60/358481460.db2.gz UXNWDHYIXCEZCB-OSAQELSMSA-N 1 2 316.361 1.778 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2c[nH+]cn2C)c1C ZINC000290202580 354442600 /nfs/dbraw/zinc/44/26/00/354442600.db2.gz NBCNBPFUMKIZIV-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000587045018 354879485 /nfs/dbraw/zinc/87/94/85/354879485.db2.gz HLBBSGRGFGATAV-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO Cc1nc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000589252790 354978003 /nfs/dbraw/zinc/97/80/03/354978003.db2.gz ZVPGZFSBFKQCIR-UHFFFAOYSA-N 1 2 317.349 1.917 20 5 DDBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2[nH]c[nH+]c2C1 ZINC000590379411 355078793 /nfs/dbraw/zinc/07/87/93/355078793.db2.gz RSOISVPZQUDICO-UHFFFAOYSA-N 1 2 311.301 1.998 20 5 DDBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2[nH+]c[nH]c2C1 ZINC000590379411 355078798 /nfs/dbraw/zinc/07/87/98/355078798.db2.gz RSOISVPZQUDICO-UHFFFAOYSA-N 1 2 311.301 1.998 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567440 355115953 /nfs/dbraw/zinc/11/59/53/355115953.db2.gz DZMADIUDTHMHFI-UHFFFAOYSA-N 1 2 316.317 1.976 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2nncn2C)c1 ZINC000593023628 355772862 /nfs/dbraw/zinc/77/28/62/355772862.db2.gz XUCFJQJFOQQNSP-VIFPVBQESA-N 1 2 319.321 1.361 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593409319 355876640 /nfs/dbraw/zinc/87/66/40/355876640.db2.gz SLUNWHPSHVEQEK-JTQLQIEISA-N 1 2 306.297 1.678 20 5 DDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cccc([N+](=O)[O-])c1 ZINC000593424220 355881118 /nfs/dbraw/zinc/88/11/18/355881118.db2.gz DLUUNHWLWPUEOG-UHFFFAOYSA-N 1 2 314.345 1.987 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593684999 355966219 /nfs/dbraw/zinc/96/62/19/355966219.db2.gz CSJJPQFPRIZGKX-GXTWGEPZSA-N 1 2 322.340 1.728 20 5 DDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099487 356112132 /nfs/dbraw/zinc/11/21/32/356112132.db2.gz QDAJATGLUSPIJY-UTUOFQBUSA-N 1 2 322.365 1.217 20 5 DDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099487 356112136 /nfs/dbraw/zinc/11/21/36/356112136.db2.gz QDAJATGLUSPIJY-UTUOFQBUSA-N 1 2 322.365 1.217 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+]C/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595068615 356377967 /nfs/dbraw/zinc/37/79/67/356377967.db2.gz JYUURBACZJMCSL-SFAKSCPVSA-N 1 2 302.334 1.556 20 5 DDBDLO Cc1nnc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000595705325 356615802 /nfs/dbraw/zinc/61/58/02/356615802.db2.gz SVVJSYYVFCKQSU-GFCCVEGCSA-N 1 2 322.321 1.158 20 5 DDBDLO Cc1nnc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000595705325 356615807 /nfs/dbraw/zinc/61/58/07/356615807.db2.gz SVVJSYYVFCKQSU-GFCCVEGCSA-N 1 2 322.321 1.158 20 5 DDBDLO C[N@H+](CCN1CCCC1=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618281993 363563040 /nfs/dbraw/zinc/56/30/40/363563040.db2.gz GVARZRWKZFQUHY-UHFFFAOYSA-N 1 2 317.349 1.525 20 5 DDBDLO C[N@@H+](CCN1CCCC1=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618281993 363563042 /nfs/dbraw/zinc/56/30/42/363563042.db2.gz GVARZRWKZFQUHY-UHFFFAOYSA-N 1 2 317.349 1.525 20 5 DDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946769 357769510 /nfs/dbraw/zinc/76/95/10/357769510.db2.gz IZUHKBHWSPZJDL-LLVKDONJSA-N 1 2 315.333 1.334 20 5 DDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598947628 357770469 /nfs/dbraw/zinc/77/04/69/357770469.db2.gz MCZRMTGSOCMPSD-SNVBAGLBSA-N 1 2 304.281 1.675 20 5 DDBDLO O=[N+]([O-])c1c(NC[C@H]2C[NH+]3CCN2CC3)ccc2cnccc21 ZINC000599058305 357805196 /nfs/dbraw/zinc/80/51/96/357805196.db2.gz JVQDNFXMUKEKEK-ZDUSSCGKSA-N 1 2 313.361 1.555 20 5 DDBDLO CCn1ccnc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150058 358422240 /nfs/dbraw/zinc/42/22/40/358422240.db2.gz SXBKBZGRHBYLRN-OAHLLOKOSA-N 1 2 304.350 1.809 20 5 DDBDLO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602662644 359109596 /nfs/dbraw/zinc/10/95/96/359109596.db2.gz QINLDTMQXTUHHR-ZJUUUORDSA-N 1 2 322.287 1.321 20 5 DDBDLO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602662644 359109600 /nfs/dbraw/zinc/10/96/00/359109600.db2.gz QINLDTMQXTUHHR-ZJUUUORDSA-N 1 2 322.287 1.321 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602908710 359287627 /nfs/dbraw/zinc/28/76/27/359287627.db2.gz QBOVWDUFHOWKPJ-OLZOCXBDSA-N 1 2 317.349 1.648 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602908710 359287629 /nfs/dbraw/zinc/28/76/29/359287629.db2.gz QBOVWDUFHOWKPJ-OLZOCXBDSA-N 1 2 317.349 1.648 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609130975 360263245 /nfs/dbraw/zinc/26/32/45/360263245.db2.gz DUCVQHFMGKKOHI-LBPRGKRZSA-N 1 2 315.333 1.972 20 5 DDBDLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000609846476 360354777 /nfs/dbraw/zinc/35/47/77/360354777.db2.gz PFCLGMYKKVNOCN-MWLCHTKSSA-N 1 2 318.337 1.929 20 5 DDBDLO Cc1noc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000609846476 360354783 /nfs/dbraw/zinc/35/47/83/360354783.db2.gz PFCLGMYKKVNOCN-MWLCHTKSSA-N 1 2 318.337 1.929 20 5 DDBDLO CS(=O)(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610763076 360531426 /nfs/dbraw/zinc/53/14/26/360531426.db2.gz WENPBPNKAONWFH-UHFFFAOYSA-N 1 2 312.391 1.646 20 5 DDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191087 360654454 /nfs/dbraw/zinc/65/44/54/360654454.db2.gz IAVUZYBIVXKSQY-JTQLQIEISA-N 1 2 303.322 1.777 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC23CCC3)cc1 ZINC000612086997 360915208 /nfs/dbraw/zinc/91/52/08/360915208.db2.gz PRIACMQXOJTZLX-UHFFFAOYSA-N 1 2 310.375 1.997 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC23CCC3)cc1 ZINC000612086997 360915215 /nfs/dbraw/zinc/91/52/15/360915215.db2.gz PRIACMQXOJTZLX-UHFFFAOYSA-N 1 2 310.375 1.997 20 5 DDBDLO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000359146282 299338060 /nfs/dbraw/zinc/33/80/60/299338060.db2.gz XSYXLBRICKOFTP-ZDUSSCGKSA-N 1 2 321.377 1.316 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000282582201 217104367 /nfs/dbraw/zinc/10/43/67/217104367.db2.gz CUEHHNBIEUIQTF-UHFFFAOYSA-N 1 2 318.333 1.999 20 5 DDBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC(=O)N(C)C1=O ZINC000282587827 217109540 /nfs/dbraw/zinc/10/95/40/217109540.db2.gz WRTMXRMMSGTRRZ-ZDUSSCGKSA-N 1 2 323.324 1.703 20 5 DDBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC(=O)N(C)C1=O ZINC000282587827 217109542 /nfs/dbraw/zinc/10/95/42/217109542.db2.gz WRTMXRMMSGTRRZ-ZDUSSCGKSA-N 1 2 323.324 1.703 20 5 DDBDLO O=C(N[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412409311 224024966 /nfs/dbraw/zinc/02/49/66/224024966.db2.gz OCEGBIYDOTVVPA-PHIMTYICSA-N 1 2 302.290 1.034 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352416948 285037038 /nfs/dbraw/zinc/03/70/38/285037038.db2.gz MKMGFSNGOPJPDY-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352416948 285037040 /nfs/dbraw/zinc/03/70/40/285037040.db2.gz MKMGFSNGOPJPDY-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO CNc1ccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000302048115 533065832 /nfs/dbraw/zinc/06/58/32/533065832.db2.gz VWBHFXPBWQUPCX-UHFFFAOYSA-N 1 2 323.334 1.423 20 5 DDBDLO C[C@@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCOCC1 ZINC000569939766 304386171 /nfs/dbraw/zinc/38/61/71/304386171.db2.gz VROPDNCLBNDENB-LBPRGKRZSA-N 1 2 319.361 1.200 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000044534705 407027047 /nfs/dbraw/zinc/02/70/47/407027047.db2.gz JYUKPYXLXVCTLG-LVDDQXARSA-N 1 2 319.361 1.445 20 5 DDBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000054987149 407192166 /nfs/dbraw/zinc/19/21/66/407192166.db2.gz KIDAKMGNJOTMBX-CYBMUJFWSA-N 1 2 319.361 1.846 20 5 DDBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000054987149 407192167 /nfs/dbraw/zinc/19/21/67/407192167.db2.gz KIDAKMGNJOTMBX-CYBMUJFWSA-N 1 2 319.361 1.846 20 5 DDBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000106886105 407365076 /nfs/dbraw/zinc/36/50/76/407365076.db2.gz IZBHSCBCPZYZLU-ZDUSSCGKSA-N 1 2 305.334 1.205 20 5 DDBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000106886105 407365077 /nfs/dbraw/zinc/36/50/77/407365077.db2.gz IZBHSCBCPZYZLU-ZDUSSCGKSA-N 1 2 305.334 1.205 20 5 DDBDLO Cc1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000151747532 407489009 /nfs/dbraw/zinc/48/90/09/407489009.db2.gz YBDZEGBWNVESLK-KBPBESRZSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1ccc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000151747532 407489012 /nfs/dbraw/zinc/48/90/12/407489012.db2.gz YBDZEGBWNVESLK-KBPBESRZSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000114858724 407629265 /nfs/dbraw/zinc/62/92/65/407629265.db2.gz SPQQEPQQVVHAJQ-CQSZACIVSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000114858724 407629271 /nfs/dbraw/zinc/62/92/71/407629271.db2.gz SPQQEPQQVVHAJQ-CQSZACIVSA-N 1 2 319.361 1.496 20 5 DDBDLO COc1ccc(C[NH2+]Cc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000189396208 408009870 /nfs/dbraw/zinc/00/98/70/408009870.db2.gz FPRRUDZFPXWWQJ-UHFFFAOYSA-N 1 2 305.290 1.585 20 5 DDBDLO CC(=O)N1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000268655926 408141193 /nfs/dbraw/zinc/14/11/93/408141193.db2.gz HHHVGWGJZZCEDX-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CC(=O)N1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000268655926 408141199 /nfs/dbraw/zinc/14/11/99/408141199.db2.gz HHHVGWGJZZCEDX-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000263849542 408285351 /nfs/dbraw/zinc/28/53/51/408285351.db2.gz FYBCUMQPSHZXGD-UHFFFAOYSA-N 1 2 311.313 1.138 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269379622 408289079 /nfs/dbraw/zinc/28/90/79/408289079.db2.gz JBFIKGUPCVGDTL-LLVKDONJSA-N 1 2 321.381 1.752 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269379622 408289083 /nfs/dbraw/zinc/28/90/83/408289083.db2.gz JBFIKGUPCVGDTL-LLVKDONJSA-N 1 2 321.381 1.752 20 5 DDBDLO Nc1ccnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000135194210 162095899 /nfs/dbraw/zinc/09/58/99/162095899.db2.gz CFVXOYXSPNXAFF-JTQLQIEISA-N 1 2 315.337 1.048 20 5 DDBDLO Nc1ccnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000135194210 162095902 /nfs/dbraw/zinc/09/59/02/162095902.db2.gz CFVXOYXSPNXAFF-JTQLQIEISA-N 1 2 315.337 1.048 20 5 DDBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269678948 408389559 /nfs/dbraw/zinc/38/95/59/408389559.db2.gz XOOQGCUWGSKLFO-KBPBESRZSA-N 1 2 307.350 1.085 20 5 DDBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269678948 408389564 /nfs/dbraw/zinc/38/95/64/408389564.db2.gz XOOQGCUWGSKLFO-KBPBESRZSA-N 1 2 307.350 1.085 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000183393135 408397581 /nfs/dbraw/zinc/39/75/81/408397581.db2.gz HKHOEQDTIABNMO-RISCZKNCSA-N 1 2 308.334 1.666 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)O1 ZINC000183393135 408397585 /nfs/dbraw/zinc/39/75/85/408397585.db2.gz HKHOEQDTIABNMO-RISCZKNCSA-N 1 2 308.334 1.666 20 5 DDBDLO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000183553541 408441161 /nfs/dbraw/zinc/44/11/61/408441161.db2.gz HZZHFXRKLDHHBF-MNOVXSKESA-N 1 2 323.353 1.221 20 5 DDBDLO Cn1cncc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000177010947 408494479 /nfs/dbraw/zinc/49/44/79/408494479.db2.gz BBIWQHNYEXMZGB-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO Cn1c[nH+]cc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000177010947 408494486 /nfs/dbraw/zinc/49/44/86/408494486.db2.gz BBIWQHNYEXMZGB-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO Cc1n[nH]c(C(=O)NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000265461540 408658987 /nfs/dbraw/zinc/65/89/87/408658987.db2.gz BOHGQVSKHFCBII-UHFFFAOYSA-N 1 2 304.310 1.253 20 5 DDBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193790898 408746044 /nfs/dbraw/zinc/74/60/44/408746044.db2.gz SJNKSPIMQSYIGS-UHFFFAOYSA-N 1 2 324.337 1.803 20 5 DDBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193790898 408746047 /nfs/dbraw/zinc/74/60/47/408746047.db2.gz SJNKSPIMQSYIGS-UHFFFAOYSA-N 1 2 324.337 1.803 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249600281 408749063 /nfs/dbraw/zinc/74/90/63/408749063.db2.gz XZHKLUYTOLZPTQ-FZMZJTMJSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249600281 408749066 /nfs/dbraw/zinc/74/90/66/408749066.db2.gz XZHKLUYTOLZPTQ-FZMZJTMJSA-N 1 2 307.350 1.544 20 5 DDBDLO COc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000185207269 408780197 /nfs/dbraw/zinc/78/01/97/408780197.db2.gz JUHYCXFZORIYJJ-OAHLLOKOSA-N 1 2 308.334 1.595 20 5 DDBDLO COc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000185207269 408780199 /nfs/dbraw/zinc/78/01/99/408780199.db2.gz JUHYCXFZORIYJJ-OAHLLOKOSA-N 1 2 308.334 1.595 20 5 DDBDLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000283966756 409248623 /nfs/dbraw/zinc/24/86/23/409248623.db2.gz GTPQJUROOYQHRS-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000283966756 409248625 /nfs/dbraw/zinc/24/86/25/409248625.db2.gz GTPQJUROOYQHRS-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000289401577 409263021 /nfs/dbraw/zinc/26/30/21/409263021.db2.gz ADGBTMREDBPBGB-UHFFFAOYSA-N 1 2 322.346 1.137 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342342023 409578709 /nfs/dbraw/zinc/57/87/09/409578709.db2.gz VORDTLGEGGRMDR-LBPRGKRZSA-N 1 2 322.365 1.497 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342342023 409578715 /nfs/dbraw/zinc/57/87/15/409578715.db2.gz VORDTLGEGGRMDR-LBPRGKRZSA-N 1 2 322.365 1.497 20 5 DDBDLO CCOc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC000338380951 409950556 /nfs/dbraw/zinc/95/05/56/409950556.db2.gz YACSHTWBCLIRIW-BETUJISGSA-N 1 2 308.334 1.593 20 5 DDBDLO CCOc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC000338380951 409950562 /nfs/dbraw/zinc/95/05/62/409950562.db2.gz YACSHTWBCLIRIW-BETUJISGSA-N 1 2 308.334 1.593 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000351859971 410298569 /nfs/dbraw/zinc/29/85/69/410298569.db2.gz LIWHFHRBOFSJBY-HZMBPMFUSA-N 1 2 316.317 1.233 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000355336991 410452205 /nfs/dbraw/zinc/45/22/05/410452205.db2.gz FIVPUGCRBHTREZ-ZDUSSCGKSA-N 1 2 304.350 1.884 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000355336991 410452207 /nfs/dbraw/zinc/45/22/07/410452207.db2.gz FIVPUGCRBHTREZ-ZDUSSCGKSA-N 1 2 304.350 1.884 20 5 DDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000298975121 410469574 /nfs/dbraw/zinc/46/95/74/410469574.db2.gz OXKJFPRVMAHUPI-UHFFFAOYSA-N 1 2 322.321 1.634 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2C)CCO1 ZINC000347654960 410655809 /nfs/dbraw/zinc/65/58/09/410655809.db2.gz UYTIKRNUQYGULS-ZDUSSCGKSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2C)CCO1 ZINC000347654960 410655815 /nfs/dbraw/zinc/65/58/15/410655815.db2.gz UYTIKRNUQYGULS-ZDUSSCGKSA-N 1 2 321.377 1.744 20 5 DDBDLO C[C@H]1[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000355924338 410736815 /nfs/dbraw/zinc/73/68/15/410736815.db2.gz ZBDOFTHHXBSYOZ-CABZTGNLSA-N 1 2 317.349 1.684 20 5 DDBDLO C[C@H]1[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000355924338 410736830 /nfs/dbraw/zinc/73/68/30/410736830.db2.gz ZBDOFTHHXBSYOZ-CABZTGNLSA-N 1 2 317.349 1.684 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000347705609 410679846 /nfs/dbraw/zinc/67/98/46/410679846.db2.gz UDIBHRAQUDQEHW-NSHDSACASA-N 1 2 317.305 1.017 20 5 DDBDLO COc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000359586630 410755008 /nfs/dbraw/zinc/75/50/08/410755008.db2.gz HRRZKLDNORMKMO-UHFFFAOYSA-N 1 2 304.306 1.907 20 5 DDBDLO COc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000348271586 410885592 /nfs/dbraw/zinc/88/55/92/410885592.db2.gz GRBSQWKQBHOYHT-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO COc1cc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000348271586 410885600 /nfs/dbraw/zinc/88/56/00/410885600.db2.gz GRBSQWKQBHOYHT-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc[nH+]1 ZINC000353281781 410899531 /nfs/dbraw/zinc/89/95/31/410899531.db2.gz LCEMEWPVUVWGAI-UHFFFAOYSA-N 1 2 300.322 1.415 20 5 DDBDLO Cn1c(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000356670712 411120474 /nfs/dbraw/zinc/12/04/74/411120474.db2.gz JBBSNYXOAWDDDX-LLVKDONJSA-N 1 2 319.321 1.519 20 5 DDBDLO Cn1c(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000356670712 411120475 /nfs/dbraw/zinc/12/04/75/411120475.db2.gz JBBSNYXOAWDDDX-LLVKDONJSA-N 1 2 319.321 1.519 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129774404 196074762 /nfs/dbraw/zinc/07/47/62/196074762.db2.gz YNXDZLPFPULNQU-VIFPVBQESA-N 1 2 300.746 1.776 20 5 DDBDLO O=[N+]([O-])[C@@H]1C[C@@H]1c1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000374844149 418567924 /nfs/dbraw/zinc/56/79/24/418567924.db2.gz KFJLIGQYSPCTOA-XQQFMLRXSA-N 1 2 322.365 1.908 20 5 DDBDLO O=[N+]([O-])[C@@H]1C[C@@H]1c1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000374844149 418567927 /nfs/dbraw/zinc/56/79/27/418567927.db2.gz KFJLIGQYSPCTOA-XQQFMLRXSA-N 1 2 322.365 1.908 20 5 DDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000361783629 418710050 /nfs/dbraw/zinc/71/00/50/418710050.db2.gz MYAWCYJIZNONNI-CQSZACIVSA-N 1 2 317.349 1.997 20 5 DDBDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000361783629 418710051 /nfs/dbraw/zinc/71/00/51/418710051.db2.gz MYAWCYJIZNONNI-CQSZACIVSA-N 1 2 317.349 1.997 20 5 DDBDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)no1 ZINC000361780988 418710137 /nfs/dbraw/zinc/71/01/37/418710137.db2.gz BEIUZUZIHPTPLC-LBPRGKRZSA-N 1 2 317.349 1.997 20 5 DDBDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)no1 ZINC000361780988 418710139 /nfs/dbraw/zinc/71/01/39/418710139.db2.gz BEIUZUZIHPTPLC-LBPRGKRZSA-N 1 2 317.349 1.997 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(=NCCCCn3cc[nH+]c3)[nH]c2c1 ZINC000388139084 418745260 /nfs/dbraw/zinc/74/52/60/418745260.db2.gz FVRVCPXKARZTLK-UHFFFAOYSA-N 1 2 300.322 1.982 20 5 DDBDLO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371030746 418756659 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SOEMXQWJZSZEEF-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000423691545 420129243 /nfs/dbraw/zinc/12/92/43/420129243.db2.gz FAUWNXALLDRLAL-JTQLQIEISA-N 1 2 313.304 1.878 20 5 DDBDLO C[C@H](O)C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000443334626 230005408 /nfs/dbraw/zinc/00/54/08/230005408.db2.gz SUFWUNQZRCMZMP-UWVGGRQHSA-N 1 2 302.758 1.812 20 5 DDBDLO C[C@H](O)C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000443334626 230005413 /nfs/dbraw/zinc/00/54/13/230005413.db2.gz SUFWUNQZRCMZMP-UWVGGRQHSA-N 1 2 302.758 1.812 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459757410 420866951 /nfs/dbraw/zinc/86/69/51/420866951.db2.gz SAIKTOQMLMXDIX-UHFFFAOYSA-N 1 2 303.293 1.911 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459757410 420866956 /nfs/dbraw/zinc/86/69/56/420866956.db2.gz SAIKTOQMLMXDIX-UHFFFAOYSA-N 1 2 303.293 1.911 20 5 DDBDLO CC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449911926 421110754 /nfs/dbraw/zinc/11/07/54/421110754.db2.gz JOJFOGOLSZIYLR-GFCCVEGCSA-N 1 2 318.333 1.935 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2[nH+]ccn21 ZINC000456435709 421167112 /nfs/dbraw/zinc/16/71/12/421167112.db2.gz VVAOUXNQEGKYOI-XCBNKYQSSA-N 1 2 302.294 1.204 20 5 DDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522997281 421230614 /nfs/dbraw/zinc/23/06/14/421230614.db2.gz HDHYHTAEIKLYCA-UHFFFAOYSA-N 1 2 324.300 1.501 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525802641 421303452 /nfs/dbraw/zinc/30/34/52/421303452.db2.gz YTPFSXFTEOFNOK-CYBMUJFWSA-N 1 2 305.378 1.674 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525802641 421303455 /nfs/dbraw/zinc/30/34/55/421303455.db2.gz YTPFSXFTEOFNOK-CYBMUJFWSA-N 1 2 305.378 1.674 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000523713341 421247045 /nfs/dbraw/zinc/24/70/45/421247045.db2.gz IVJGILHGRAGVHD-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000523713341 421247049 /nfs/dbraw/zinc/24/70/49/421247049.db2.gz IVJGILHGRAGVHD-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOC[C@H]1CCCO1)CC2 ZINC000544441272 421845170 /nfs/dbraw/zinc/84/51/70/421845170.db2.gz UMDMQESHPKXHRT-CQSZACIVSA-N 1 2 307.350 1.544 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOC[C@H]1CCCO1)CC2 ZINC000544441272 421845171 /nfs/dbraw/zinc/84/51/71/421845171.db2.gz UMDMQESHPKXHRT-CQSZACIVSA-N 1 2 307.350 1.544 20 5 DDBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000583449212 422168844 /nfs/dbraw/zinc/16/88/44/422168844.db2.gz FCRDVDYHUIMYHX-LLVKDONJSA-N 1 2 317.349 1.725 20 5 DDBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000583449212 422168852 /nfs/dbraw/zinc/16/88/52/422168852.db2.gz FCRDVDYHUIMYHX-LLVKDONJSA-N 1 2 317.349 1.725 20 5 DDBDLO CCCn1ncnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000577599875 422387446 /nfs/dbraw/zinc/38/74/46/422387446.db2.gz KJIPLUQRACAAJV-UHFFFAOYSA-N 1 2 302.338 1.550 20 5 DDBDLO CCCn1ncnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000577599875 422387449 /nfs/dbraw/zinc/38/74/49/422387449.db2.gz KJIPLUQRACAAJV-UHFFFAOYSA-N 1 2 302.338 1.550 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578155332 422512889 /nfs/dbraw/zinc/51/28/89/422512889.db2.gz UVVUCVJOHDBTIK-UHFFFAOYSA-N 1 2 300.318 1.456 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578300440 422541411 /nfs/dbraw/zinc/54/14/11/422541411.db2.gz MJSRFWFJYYYGAA-UHFFFAOYSA-N 1 2 316.317 1.998 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000579035013 422694534 /nfs/dbraw/zinc/69/45/34/422694534.db2.gz GRQJETXAAQLDDG-UHFFFAOYSA-N 1 2 301.306 1.514 20 5 DDBDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000345411518 272244203 /nfs/dbraw/zinc/24/42/03/272244203.db2.gz LHASVKRXFMQWLO-GHMZBOCLSA-N 1 2 311.338 1.369 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000120812643 281126070 /nfs/dbraw/zinc/12/60/70/281126070.db2.gz ABXCJOZIRJIFQU-CHWSQXEVSA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000120812643 281126071 /nfs/dbraw/zinc/12/60/71/281126071.db2.gz ABXCJOZIRJIFQU-CHWSQXEVSA-N 1 2 321.377 1.935 20 5 DDBDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126796866 281252654 /nfs/dbraw/zinc/25/26/54/281252654.db2.gz FSWFOEJXBZFFIR-LLVKDONJSA-N 1 2 322.365 1.380 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126796866 281252658 /nfs/dbraw/zinc/25/26/58/281252658.db2.gz FSWFOEJXBZFFIR-LLVKDONJSA-N 1 2 322.365 1.380 20 5 DDBDLO Cc1n[nH]c(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453573805 293099330 /nfs/dbraw/zinc/09/93/30/293099330.db2.gz IBYXSIFGUVWNML-UHFFFAOYSA-N 1 2 316.365 1.652 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000364436517 300397480 /nfs/dbraw/zinc/39/74/80/300397480.db2.gz FHYHXSYDVFKNJD-MRXNPFEDSA-N 1 2 321.377 1.888 20 5 DDBDLO NC(=O)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000574771592 304683340 /nfs/dbraw/zinc/68/33/40/304683340.db2.gz VAHKFEHNJZWFJU-SWLSCSKDSA-N 1 2 312.329 1.793 20 5 DDBDLO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000287048017 300705082 /nfs/dbraw/zinc/70/50/82/300705082.db2.gz JDKAFOLHYZMTMX-SMDDNHRTSA-N 1 2 319.361 1.999 20 5 DDBDLO COc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000370342028 301320125 /nfs/dbraw/zinc/32/01/25/301320125.db2.gz SCMJLWXQYHEDQG-SNVBAGLBSA-N 1 2 316.317 1.614 20 5 DDBDLO COc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000370342028 301320127 /nfs/dbraw/zinc/32/01/27/301320127.db2.gz SCMJLWXQYHEDQG-SNVBAGLBSA-N 1 2 316.317 1.614 20 5 DDBDLO CCOC(=O)[C@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000370556970 301364190 /nfs/dbraw/zinc/36/41/90/301364190.db2.gz MRTIATUZFBMKPJ-GFCCVEGCSA-N 1 2 310.354 1.599 20 5 DDBDLO CCOC(=O)[C@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000370556970 301364193 /nfs/dbraw/zinc/36/41/93/301364193.db2.gz MRTIATUZFBMKPJ-GFCCVEGCSA-N 1 2 310.354 1.599 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376406828 302074267 /nfs/dbraw/zinc/07/42/67/302074267.db2.gz KJVZVGAUFGRNKT-NEPJUHHUSA-N 1 2 319.361 1.999 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378480029 302332338 /nfs/dbraw/zinc/33/23/38/302332338.db2.gz DMXWSCXXONTMMF-KGLIPLIRSA-N 1 2 308.334 1.747 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378480029 302332341 /nfs/dbraw/zinc/33/23/41/302332341.db2.gz DMXWSCXXONTMMF-KGLIPLIRSA-N 1 2 308.334 1.747 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378480028 302332505 /nfs/dbraw/zinc/33/25/05/302332505.db2.gz DMXWSCXXONTMMF-KBPBESRZSA-N 1 2 308.334 1.747 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378480028 302332506 /nfs/dbraw/zinc/33/25/06/302332506.db2.gz DMXWSCXXONTMMF-KBPBESRZSA-N 1 2 308.334 1.747 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000531775481 303256101 /nfs/dbraw/zinc/25/61/01/303256101.db2.gz QPHPHMJMIBEMDD-UHFFFAOYSA-N 1 2 300.318 1.807 20 5 DDBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)nc1 ZINC000364438688 307045331 /nfs/dbraw/zinc/04/53/31/307045331.db2.gz RYGGOLYNMSPXNQ-HNNXBMFYSA-N 1 2 322.365 1.283 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000365193872 307061668 /nfs/dbraw/zinc/06/16/68/307061668.db2.gz WSRXPEOOWADTRU-NSHDSACASA-N 1 2 307.350 1.704 20 5 DDBDLO CCOc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000365193872 307061669 /nfs/dbraw/zinc/06/16/69/307061669.db2.gz WSRXPEOOWADTRU-NSHDSACASA-N 1 2 307.350 1.704 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000373205758 307181463 /nfs/dbraw/zinc/18/14/63/307181463.db2.gz ROKYVSCPPHVODC-GFCCVEGCSA-N 1 2 318.293 1.542 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000373205758 307181464 /nfs/dbraw/zinc/18/14/64/307181464.db2.gz ROKYVSCPPHVODC-GFCCVEGCSA-N 1 2 318.293 1.542 20 5 DDBDLO COc1cc(C[NH+]2CC(C(C)(C)O)C2)c([N+](=O)[O-])cc1OC ZINC000297390069 533796940 /nfs/dbraw/zinc/79/69/40/533796940.db2.gz KMFPRDISDREJKV-UHFFFAOYSA-N 1 2 310.350 1.815 20 5 DDBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332546802 527718689 /nfs/dbraw/zinc/71/86/89/527718689.db2.gz NHMUKTLGXNTYMG-OAHLLOKOSA-N 1 2 319.361 1.200 20 5 DDBDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332546802 527718692 /nfs/dbraw/zinc/71/86/92/527718692.db2.gz NHMUKTLGXNTYMG-OAHLLOKOSA-N 1 2 319.361 1.200 20 5 DDBDLO CCNC(=O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302045769 528107143 /nfs/dbraw/zinc/10/71/43/528107143.db2.gz YAPVZOJBHUIMKT-UHFFFAOYSA-N 1 2 315.333 1.908 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000444665196 699175148 /nfs/dbraw/zinc/17/51/48/699175148.db2.gz SWWPDEOQABQPTF-JTQLQIEISA-N 1 2 318.337 1.082 20 5 DDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)O ZINC000451751631 699184372 /nfs/dbraw/zinc/18/43/72/699184372.db2.gz BZEJDXWEJXZZBO-ZJUUUORDSA-N 1 2 304.306 1.280 20 5 DDBDLO Nc1cc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc[nH+]1 ZINC000791754966 699652907 /nfs/dbraw/zinc/65/29/07/699652907.db2.gz PHZGKTXCTASJKG-UHFFFAOYSA-N 1 2 306.253 1.650 20 5 DDBDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000792877329 699720350 /nfs/dbraw/zinc/72/03/50/699720350.db2.gz JJZLDCNHOYVIMU-LBPRGKRZSA-N 1 2 321.293 1.060 20 5 DDBDLO COc1c(C(=O)OCCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000793248744 699742958 /nfs/dbraw/zinc/74/29/58/699742958.db2.gz CWCMLSMNYNEOJR-UHFFFAOYSA-N 1 2 305.290 1.736 20 5 DDBDLO C[C@@H]1C[C@H](C)C[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000740858478 699803027 /nfs/dbraw/zinc/80/30/27/699803027.db2.gz FMXBKMCICFLDOS-VHSXEESVSA-N 1 2 303.318 1.879 20 5 DDBDLO C[C@@H]1C[C@H](C)C[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000740858478 699803028 /nfs/dbraw/zinc/80/30/28/699803028.db2.gz FMXBKMCICFLDOS-VHSXEESVSA-N 1 2 303.318 1.879 20 5 DDBDLO COC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000755940037 700594202 /nfs/dbraw/zinc/59/42/02/700594202.db2.gz LGEJWEZAGKJKJZ-SECBINFHSA-N 1 2 319.273 1.499 20 5 DDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804332678 701179447 /nfs/dbraw/zinc/17/94/47/701179447.db2.gz OZSYFZZFMLFJJW-VIFPVBQESA-N 1 2 301.306 1.118 20 5 DDBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771920269 701336967 /nfs/dbraw/zinc/33/69/67/701336967.db2.gz XHNFBPKXYLDQCB-UHFFFAOYSA-N 1 2 306.234 1.557 20 5 DDBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2c[nH+]cc21 ZINC000857990407 704657976 /nfs/dbraw/zinc/65/79/76/704657976.db2.gz TXDCXBCWFVHSGJ-LBPRGKRZSA-N 1 2 302.290 1.431 20 5 DDBDLO Cc1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000825640660 705707018 /nfs/dbraw/zinc/70/70/18/705707018.db2.gz IUDQSOZVQGPXDG-IHWYPQMZSA-N 1 2 319.361 1.408 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC000826711310 705854891 /nfs/dbraw/zinc/85/48/91/705854891.db2.gz ZAVBJOZOSRBXTI-GFCCVEGCSA-N 1 2 315.333 1.245 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000826711310 705854895 /nfs/dbraw/zinc/85/48/95/705854895.db2.gz ZAVBJOZOSRBXTI-GFCCVEGCSA-N 1 2 315.333 1.245 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000876766081 705865817 /nfs/dbraw/zinc/86/58/17/705865817.db2.gz APKGMWPDHXLNSZ-GFCCVEGCSA-N 1 2 305.334 1.848 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000876766081 705865818 /nfs/dbraw/zinc/86/58/18/705865818.db2.gz APKGMWPDHXLNSZ-GFCCVEGCSA-N 1 2 305.334 1.848 20 5 DDBDLO C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1(C)COC1 ZINC000863298786 705894874 /nfs/dbraw/zinc/89/48/74/705894874.db2.gz NKYJMNRLSOSCQS-UHFFFAOYSA-N 1 2 307.306 1.429 20 5 DDBDLO C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1(C)COC1 ZINC000863298786 705894876 /nfs/dbraw/zinc/89/48/76/705894876.db2.gz NKYJMNRLSOSCQS-UHFFFAOYSA-N 1 2 307.306 1.429 20 5 DDBDLO Cc1c(NC(=O)/C=C\C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000864441747 706170970 /nfs/dbraw/zinc/17/09/70/706170970.db2.gz BDRZGOKUJMOLOJ-UTCJRWHESA-N 1 2 305.334 1.730 20 5 DDBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000877778799 706208091 /nfs/dbraw/zinc/20/80/91/706208091.db2.gz UOTQHYOURJVFSX-UHFFFAOYSA-N 1 2 317.267 1.705 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCC2)cc1F ZINC000867000341 706868477 /nfs/dbraw/zinc/86/84/77/706868477.db2.gz HKBQYUIALBIUEH-UHFFFAOYSA-N 1 2 317.342 1.026 20 5 DDBDLO COC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000886952960 708902343 /nfs/dbraw/zinc/90/23/43/708902343.db2.gz RFCWULCEXNSKCS-LSDHHAIUSA-N 1 2 322.361 1.838 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000928637101 713244541 /nfs/dbraw/zinc/24/45/41/713244541.db2.gz ZZOGFXDANHCWOI-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000895800682 711609252 /nfs/dbraw/zinc/60/92/52/711609252.db2.gz BJZJBTRLPRTKOV-GFCCVEGCSA-N 1 2 311.386 1.642 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c1C ZINC000921415889 713763279 /nfs/dbraw/zinc/76/32/79/713763279.db2.gz WHUVUVZNOYDTTD-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c1C ZINC000921415889 713763280 /nfs/dbraw/zinc/76/32/80/713763280.db2.gz WHUVUVZNOYDTTD-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO COc1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1[N+](=O)[O-] ZINC001168372002 743593648 /nfs/dbraw/zinc/59/36/48/743593648.db2.gz IJHQQQDLMZAKHH-LLVKDONJSA-N 1 2 307.350 1.879 20 5 DDBDLO COc1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1[N+](=O)[O-] ZINC001168372002 743593654 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/nfs/dbraw/zinc/09/52/89/356095289.db2.gz NXZPFJMDMOOPJE-GFCCVEGCSA-N 1 2 324.287 1.446 20 5 DDBDLO COCc1nnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000595068469 356378538 /nfs/dbraw/zinc/37/85/38/356378538.db2.gz PHRPFVUTBWXLDV-NSHDSACASA-N 1 2 319.365 1.970 20 5 DDBDLO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000595399669 356478923 /nfs/dbraw/zinc/47/89/23/356478923.db2.gz ONFCEXGWNOQZFK-UHFFFAOYSA-N 1 2 303.322 1.779 20 5 DDBDLO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000595399669 356478924 /nfs/dbraw/zinc/47/89/24/356478924.db2.gz ONFCEXGWNOQZFK-UHFFFAOYSA-N 1 2 303.322 1.779 20 5 DDBDLO Cc1noc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000595466285 356504010 /nfs/dbraw/zinc/50/40/10/356504010.db2.gz JYCNUCQPVUYWFD-HZMBPMFUSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1noc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000595466285 356504013 /nfs/dbraw/zinc/50/40/13/356504013.db2.gz JYCNUCQPVUYWFD-HZMBPMFUSA-N 1 2 311.338 1.661 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595735569 356628574 /nfs/dbraw/zinc/62/85/74/356628574.db2.gz BDUMNFHKQLBHKU-GFCCVEGCSA-N 1 2 323.349 1.189 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595735569 356628576 /nfs/dbraw/zinc/62/85/76/356628576.db2.gz BDUMNFHKQLBHKU-GFCCVEGCSA-N 1 2 323.349 1.189 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595812301 356661197 /nfs/dbraw/zinc/66/11/97/356661197.db2.gz XTRBQRSNXMLDDC-GHMZBOCLSA-N 1 2 305.334 1.884 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595812301 356661202 /nfs/dbraw/zinc/66/12/02/356661202.db2.gz XTRBQRSNXMLDDC-GHMZBOCLSA-N 1 2 305.334 1.884 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276942852 213192788 /nfs/dbraw/zinc/19/27/88/213192788.db2.gz SOERQYPJTUZQJZ-GXTWGEPZSA-N 1 2 324.377 1.965 20 5 DDBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276942852 213192793 /nfs/dbraw/zinc/19/27/93/213192793.db2.gz SOERQYPJTUZQJZ-GXTWGEPZSA-N 1 2 324.377 1.965 20 5 DDBDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595799375 356655887 /nfs/dbraw/zinc/65/58/87/356655887.db2.gz CAQMXEHROPUAOX-HNNXBMFYSA-N 1 2 308.334 1.749 20 5 DDBDLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595799375 356655893 /nfs/dbraw/zinc/65/58/93/356655893.db2.gz CAQMXEHROPUAOX-HNNXBMFYSA-N 1 2 308.334 1.749 20 5 DDBDLO Nc1ccc(N2CC[NH+](Cc3ccco3)CC2)nc1[N+](=O)[O-] ZINC000596063353 356758854 /nfs/dbraw/zinc/75/88/54/356758854.db2.gz PVSOVYRKBGCJDZ-UHFFFAOYSA-N 1 2 303.322 1.487 20 5 DDBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596165506 356798766 /nfs/dbraw/zinc/79/87/66/356798766.db2.gz LFGUCWINKCJJGG-UHFFFAOYSA-N 1 2 303.322 1.417 20 5 DDBDLO COc1cc(NCCC[N@@H+]2CCNC(=O)C2)c([N+](=O)[O-])cc1C ZINC000596171839 356801149 /nfs/dbraw/zinc/80/11/49/356801149.db2.gz DRECVGBHQGFMBM-UHFFFAOYSA-N 1 2 322.365 1.146 20 5 DDBDLO COc1cc(NCCC[N@H+]2CCNC(=O)C2)c([N+](=O)[O-])cc1C ZINC000596171839 356801153 /nfs/dbraw/zinc/80/11/53/356801153.db2.gz DRECVGBHQGFMBM-UHFFFAOYSA-N 1 2 322.365 1.146 20 5 DDBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1[nH]cc[nH+]1 ZINC000596239752 356828832 /nfs/dbraw/zinc/82/88/32/356828832.db2.gz MKDSUYDQBSGFCZ-MRVPVSSYSA-N 1 2 310.335 1.895 20 5 DDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596434347 356879494 /nfs/dbraw/zinc/87/94/94/356879494.db2.gz XGGBWYJNERYZGR-MNOVXSKESA-N 1 2 322.365 1.215 20 5 DDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596434347 356879496 /nfs/dbraw/zinc/87/94/96/356879496.db2.gz XGGBWYJNERYZGR-MNOVXSKESA-N 1 2 322.365 1.215 20 5 DDBDLO CCc1nn(C)c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434017 356879712 /nfs/dbraw/zinc/87/97/12/356879712.db2.gz WLNMYNJTXJDSIR-GHMZBOCLSA-N 1 2 311.386 1.412 20 5 DDBDLO CCc1nn(C)c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434017 356879714 /nfs/dbraw/zinc/87/97/14/356879714.db2.gz WLNMYNJTXJDSIR-GHMZBOCLSA-N 1 2 311.386 1.412 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710952 357297543 /nfs/dbraw/zinc/29/75/43/357297543.db2.gz YTUYQUUXJBFKMJ-HNNXBMFYSA-N 1 2 319.361 1.532 20 5 DDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597865094 357364029 /nfs/dbraw/zinc/36/40/29/357364029.db2.gz RSHQPEMHMCZYPU-UHFFFAOYSA-N 1 2 318.289 1.361 20 5 DDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597865094 357364032 /nfs/dbraw/zinc/36/40/32/357364032.db2.gz RSHQPEMHMCZYPU-UHFFFAOYSA-N 1 2 318.289 1.361 20 5 DDBDLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000597921771 357382612 /nfs/dbraw/zinc/38/26/12/357382612.db2.gz ALTBHGXOMRSXDN-NSHDSACASA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000597921771 357382618 /nfs/dbraw/zinc/38/26/18/357382618.db2.gz ALTBHGXOMRSXDN-NSHDSACASA-N 1 2 307.350 1.903 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2nccnn2)CC1 ZINC000599060244 357805226 /nfs/dbraw/zinc/80/52/26/357805226.db2.gz WUVIEIHOEFNNEW-GFCCVEGCSA-N 1 2 314.349 1.663 20 5 DDBDLO CN(C)S(=O)(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599080879 357808913 /nfs/dbraw/zinc/80/89/13/357808913.db2.gz LBQUOXDFHZJNSZ-UHFFFAOYSA-N 1 2 324.362 1.446 20 5 DDBDLO C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000598971662 357778931 /nfs/dbraw/zinc/77/89/31/357778931.db2.gz AHEMHPBNINKVHP-RISCZKNCSA-N 1 2 322.365 1.286 20 5 DDBDLO C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000598971662 357778936 /nfs/dbraw/zinc/77/89/36/357778936.db2.gz AHEMHPBNINKVHP-RISCZKNCSA-N 1 2 322.365 1.286 20 5 DDBDLO COC(=O)[C@@](C)(NCc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599641865 358003147 /nfs/dbraw/zinc/00/31/47/358003147.db2.gz BXNNUPSWWPYYCG-HNNXBMFYSA-N 1 2 318.333 1.506 20 5 DDBDLO O=C(NCCCn1cc[nH+]c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179872369 199090051 /nfs/dbraw/zinc/09/00/51/199090051.db2.gz QZNDYTBXUIGCGP-UHFFFAOYSA-N 1 2 318.289 1.340 20 5 DDBDLO Cc1noc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000348094676 283365897 /nfs/dbraw/zinc/36/58/97/283365897.db2.gz YUMHOJZYONLRDD-VIFPVBQESA-N 1 2 319.321 1.600 20 5 DDBDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000348098424 283368106 /nfs/dbraw/zinc/36/81/06/283368106.db2.gz ZWGJVLKZXRJICA-VIFPVBQESA-N 1 2 319.321 1.884 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181035270 199243278 /nfs/dbraw/zinc/24/32/78/199243278.db2.gz NTSNFTZMRQEUEH-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181035270 199243280 /nfs/dbraw/zinc/24/32/80/199243280.db2.gz NTSNFTZMRQEUEH-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])n1 ZINC000602427839 358969431 /nfs/dbraw/zinc/96/94/31/358969431.db2.gz DKGNROQZGWUXRL-UHFFFAOYSA-N 1 2 317.349 1.356 20 5 DDBDLO Cn1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])n1 ZINC000602483085 359008698 /nfs/dbraw/zinc/00/86/98/359008698.db2.gz IYNOPABQXUBLIL-LBPRGKRZSA-N 1 2 304.354 1.571 20 5 DDBDLO Cn1cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])n1 ZINC000602483085 359008700 /nfs/dbraw/zinc/00/87/00/359008700.db2.gz IYNOPABQXUBLIL-LBPRGKRZSA-N 1 2 304.354 1.571 20 5 DDBDLO Cn1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602712711 359142534 /nfs/dbraw/zinc/14/25/34/359142534.db2.gz DYCCGCVKEWCZMK-UHFFFAOYSA-N 1 2 306.366 1.719 20 5 DDBDLO Cn1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602712711 359142535 /nfs/dbraw/zinc/14/25/35/359142535.db2.gz DYCCGCVKEWCZMK-UHFFFAOYSA-N 1 2 306.366 1.719 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000602839767 359229305 /nfs/dbraw/zinc/22/93/05/359229305.db2.gz LBNDIFCZYAQLCQ-NRFANRHFSA-N 1 2 314.411 1.333 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000602839767 359229306 /nfs/dbraw/zinc/22/93/06/359229306.db2.gz LBNDIFCZYAQLCQ-NRFANRHFSA-N 1 2 314.411 1.333 20 5 DDBDLO CCOc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000604472561 359753805 /nfs/dbraw/zinc/75/38/05/359753805.db2.gz CIZOMZQVAWOEMX-UHFFFAOYSA-N 1 2 319.361 1.914 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000374369889 307206762 /nfs/dbraw/zinc/20/67/62/307206762.db2.gz WEUQCIXHIIUKHM-NSHDSACASA-N 1 2 307.350 1.810 20 5 DDBDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccncc1[N+](=O)[O-] ZINC000359020390 299308472 /nfs/dbraw/zinc/30/84/72/299308472.db2.gz RFBFGBLAWHXCSE-UHFFFAOYSA-N 1 2 312.289 1.381 20 5 DDBDLO Nc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000610521293 360459500 /nfs/dbraw/zinc/45/95/00/360459500.db2.gz SKWJNJXPMMCDGF-NSHDSACASA-N 1 2 315.333 1.851 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000610990662 360592482 /nfs/dbraw/zinc/59/24/82/360592482.db2.gz GIEKAUWFRJDIDX-NSHDSACASA-N 1 2 323.349 1.653 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000610990662 360592485 /nfs/dbraw/zinc/59/24/85/360592485.db2.gz GIEKAUWFRJDIDX-NSHDSACASA-N 1 2 323.349 1.653 20 5 DDBDLO COCC(=O)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611261263 360681871 /nfs/dbraw/zinc/68/18/71/360681871.db2.gz CLOXFDAZDWAHEN-UHFFFAOYSA-N 1 2 323.349 1.027 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275394018 212306873 /nfs/dbraw/zinc/30/68/73/212306873.db2.gz CUDKICGHHSMXQM-CQSZACIVSA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275394018 212306878 /nfs/dbraw/zinc/30/68/78/212306878.db2.gz CUDKICGHHSMXQM-CQSZACIVSA-N 1 2 321.377 1.935 20 5 DDBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000350829221 284267324 /nfs/dbraw/zinc/26/73/24/284267324.db2.gz IOEFDXFOVFIDNV-QWRGUYRKSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000350829221 284267327 /nfs/dbraw/zinc/26/73/27/284267327.db2.gz IOEFDXFOVFIDNV-QWRGUYRKSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000350871358 284274364 /nfs/dbraw/zinc/27/43/64/284274364.db2.gz QAUNEPJNGGYQFU-GHMZBOCLSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000350871358 284274365 /nfs/dbraw/zinc/27/43/65/284274365.db2.gz QAUNEPJNGGYQFU-GHMZBOCLSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266229822 205200651 /nfs/dbraw/zinc/20/06/51/205200651.db2.gz CUPVTBAGMHVPKV-GFCCVEGCSA-N 1 2 317.349 1.432 20 5 DDBDLO Cc1cnc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000267475303 206093762 /nfs/dbraw/zinc/09/37/62/206093762.db2.gz ZEYXVHHKNCFJSB-UHFFFAOYSA-N 1 2 322.394 1.378 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOCC23CC3)c1 ZINC000338590537 250044523 /nfs/dbraw/zinc/04/45/23/250044523.db2.gz AJPXTXLWYYNJNI-CYBMUJFWSA-N 1 2 308.334 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DDBDLO COC(=O)Cc1ccc(NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001169656079 762577753 /nfs/dbraw/zinc/57/77/53/762577753.db2.gz KSTYRWKSYQOMGB-ZDUSSCGKSA-N 1 2 323.349 1.053 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093777057 775101873 /nfs/dbraw/zinc/10/18/73/775101873.db2.gz SFVZELWLSBOVIJ-UHFFFAOYSA-N 1 2 318.337 1.101 20 5 DDBDLO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC001119965839 781701107 /nfs/dbraw/zinc/70/11/07/781701107.db2.gz KBRGAOFDZMQXKG-CABCVRRESA-N 1 2 312.329 1.937 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C[NH2+]1 ZINC001156249823 862862922 /nfs/dbraw/zinc/86/29/22/862862922.db2.gz VEBBIJPUKFXIFX-UWVGGRQHSA-N 1 2 324.337 1.092 20 5 DDBDLO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001324160121 867111707 /nfs/dbraw/zinc/11/17/07/867111707.db2.gz SRPMSMZYLKDAGV-OLZOCXBDSA-N 1 2 307.350 1.903 20 5 DDBDLO COC(=O)c1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](C)CCO1 ZINC001227123365 882852159 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Cc1cc([N+](=O)[O-])cnc1NCCCCN1CC[NH+](C)CC1 ZINC000092606996 353863427 /nfs/dbraw/zinc/86/34/27/353863427.db2.gz LIWYEOCFZHACIL-UHFFFAOYSA-N 1 2 307.398 1.738 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000147034930 354162802 /nfs/dbraw/zinc/16/28/02/354162802.db2.gz PEKQGOBAMAIXTR-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO C[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000152264301 354190507 /nfs/dbraw/zinc/19/05/07/354190507.db2.gz SOPRMNMVHZMNIN-OAHLLOKOSA-N 1 2 319.361 1.416 20 5 DDBDLO C[N@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000152264301 354190508 /nfs/dbraw/zinc/19/05/08/354190508.db2.gz SOPRMNMVHZMNIN-OAHLLOKOSA-N 1 2 319.361 1.416 20 5 DDBDLO COc1cc(OCC(=O)NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000291462599 354446475 /nfs/dbraw/zinc/44/64/75/354446475.db2.gz OJMHDJICESRWEU-UHFFFAOYSA-N 1 2 320.305 1.032 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000332646749 235239524 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306.326 1.101 20 5 DDBDLO C[C@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2nccnn2)CC1 ZINC000599058296 357804827 /nfs/dbraw/zinc/80/48/27/357804827.db2.gz JSCSYJUCVUHJSF-GFCCVEGCSA-N 1 2 314.349 1.663 20 5 DDBDLO O=C(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])N1CCOCC1 ZINC000599065320 357806239 /nfs/dbraw/zinc/80/62/39/357806239.db2.gz KLAKGNYCVBLBBP-UHFFFAOYSA-N 1 2 316.317 1.414 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H]2COC[C@H](C1)O2 ZINC000599073900 357808059 /nfs/dbraw/zinc/80/80/59/357808059.db2.gz MCROEODNQYIRDG-TXEJJXNPSA-N 1 2 301.302 1.747 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2COCC[N@@H+]2C)c1 ZINC000599161608 357833277 /nfs/dbraw/zinc/83/32/77/357833277.db2.gz UKBFDXWLPXBWIB-NSHDSACASA-N 1 2 309.322 1.124 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2COCC[N@H+]2C)c1 ZINC000599161608 357833280 /nfs/dbraw/zinc/83/32/80/357833280.db2.gz UKBFDXWLPXBWIB-NSHDSACASA-N 1 2 309.322 1.124 20 5 DDBDLO CC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000347967097 283308795 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323.324 1.327 20 5 DDBDLO COCC[N@H+](C)Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187247 359466976 /nfs/dbraw/zinc/46/69/76/359466976.db2.gz PDZHZSHNUXCDSJ-UHFFFAOYSA-N 1 2 305.338 1.313 20 5 DDBDLO COCC[N@@H+](C)Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187247 359466982 /nfs/dbraw/zinc/46/69/82/359466982.db2.gz PDZHZSHNUXCDSJ-UHFFFAOYSA-N 1 2 305.338 1.313 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603186838 359466998 /nfs/dbraw/zinc/46/69/98/359466998.db2.gz WYBUJFLFUHAGKI-YGRLFVJLSA-N 1 2 303.322 1.457 20 5 DDBDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000613286015 361368210 /nfs/dbraw/zinc/36/82/10/361368210.db2.gz SRYRMDQWIYILJP-UHFFFAOYSA-N 1 2 313.329 1.653 20 5 DDBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000613286015 361368214 /nfs/dbraw/zinc/36/82/14/361368214.db2.gz SRYRMDQWIYILJP-UHFFFAOYSA-N 1 2 313.329 1.653 20 5 DDBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)c2cccnc21 ZINC000336850148 249255622 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313.741 1.642 20 5 DDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000413051358 224125940 /nfs/dbraw/zinc/12/59/40/224125940.db2.gz WVGILCOAHMQIKX-SNVBAGLBSA-N 1 2 321.358 1.990 20 5 DDBDLO C[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)S(N)(=O)=O ZINC000413219113 224156125 /nfs/dbraw/zinc/15/61/25/224156125.db2.gz LDOCIBKFXXSGMI-MRVPVSSYSA-N 1 2 310.335 1.232 20 5 DDBDLO COc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000299694922 533580313 /nfs/dbraw/zinc/58/03/13/533580313.db2.gz XNYYHJJMQGHIKH-UHFFFAOYSA-N 1 2 304.306 1.506 20 5 DDBDLO COc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000305765471 533539230 /nfs/dbraw/zinc/53/92/30/533539230.db2.gz GYNDKNRQJSHWIJ-LLVKDONJSA-N 1 2 308.256 1.958 20 5 DDBDLO COc1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000305765471 533539235 /nfs/dbraw/zinc/53/92/35/533539235.db2.gz GYNDKNRQJSHWIJ-LLVKDONJSA-N 1 2 308.256 1.958 20 5 DDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030544557 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DDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1[nH]cc[nH+]1 ZINC000114123821 407542904 /nfs/dbraw/zinc/54/29/04/407542904.db2.gz LACOAZUKBNHXNE-UHFFFAOYSA-N 1 2 303.322 1.826 20 5 DDBDLO C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000152878292 407710725 /nfs/dbraw/zinc/71/07/25/407710725.db2.gz BCZXBUUTMHVXGM-VXGBXAGGSA-N 1 2 307.350 1.181 20 5 DDBDLO C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172592519 407839559 /nfs/dbraw/zinc/83/95/59/407839559.db2.gz HIEHQNAGNATXMB-LLVKDONJSA-N 1 2 321.402 1.921 20 5 DDBDLO C[C@@H]1CSCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172592519 407839564 /nfs/dbraw/zinc/83/95/64/407839564.db2.gz HIEHQNAGNATXMB-LLVKDONJSA-N 1 2 321.402 1.921 20 5 DDBDLO CCN(CC)C(=O)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153681387 407876737 /nfs/dbraw/zinc/87/67/37/407876737.db2.gz CBSOSKGSTCCPHO-CQSZACIVSA-N 1 2 309.366 1.428 20 5 DDBDLO CCN(CC)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153681387 407876742 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DDBDLO CC(C)[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268638233 408132793 /nfs/dbraw/zinc/13/27/93/408132793.db2.gz MXMZAUXUKWQBDI-CQSZACIVSA-N 1 2 318.333 1.527 20 5 DDBDLO COc1cc(C(=O)NCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000190312599 408218987 /nfs/dbraw/zinc/21/89/87/408218987.db2.gz LYMWEFSWGFCEMQ-UHFFFAOYSA-N 1 2 318.333 1.928 20 5 DDBDLO CSc1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000192456875 408592756 /nfs/dbraw/zinc/59/27/56/408592756.db2.gz JYFPCAJCAYJOEJ-UHFFFAOYSA-N 1 2 306.347 1.943 20 5 DDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000282347604 409037742 /nfs/dbraw/zinc/03/77/42/409037742.db2.gz AIWCWKMXOKBDPF-UHFFFAOYSA-N 1 2 302.334 1.952 20 5 DDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000282347604 409037744 /nfs/dbraw/zinc/03/77/44/409037744.db2.gz AIWCWKMXOKBDPF-UHFFFAOYSA-N 1 2 302.334 1.952 20 5 DDBDLO Cc1ccnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000278907550 409110815 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CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(O)c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284991610 409392261 /nfs/dbraw/zinc/39/22/61/409392261.db2.gz MSLLHYMFWGTKEW-QWRGUYRKSA-N 1 2 323.349 1.092 20 5 DDBDLO NC(=O)C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284349451 409330967 /nfs/dbraw/zinc/33/09/67/409330967.db2.gz YJVHBGPUFYHRBW-SECBINFHSA-N 1 2 313.304 1.960 20 5 DDBDLO NC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284349451 409330970 /nfs/dbraw/zinc/33/09/70/409330970.db2.gz YJVHBGPUFYHRBW-SECBINFHSA-N 1 2 313.304 1.960 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCn2c[nH+]cc2C1 ZINC000290633414 409468803 /nfs/dbraw/zinc/46/88/03/409468803.db2.gz HGZWPNGYWHOCKI-UHFFFAOYSA-N 1 2 316.317 1.907 20 5 DDBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1n1cc[nH+]c1 ZINC000356735748 409560442 /nfs/dbraw/zinc/56/04/42/409560442.db2.gz YZSHABLQBCAUSZ-PWSUYJOCSA-N 1 2 318.337 1.248 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332281383 410038896 /nfs/dbraw/zinc/03/88/96/410038896.db2.gz HZEXLDBJPNGZAG-UHFFFAOYSA-N 1 2 315.333 1.761 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCCO)CC1 ZINC000343013492 410074781 /nfs/dbraw/zinc/07/47/81/410074781.db2.gz ZJYXPGWMVNGIHK-UHFFFAOYSA-N 1 2 313.379 1.187 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)o1 ZINC000332340005 410081083 /nfs/dbraw/zinc/08/10/83/410081083.db2.gz QRSPVZCODSJCML-VIFPVBQESA-N 1 2 320.305 1.769 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)o1 ZINC000332340005 410081087 /nfs/dbraw/zinc/08/10/87/410081087.db2.gz QRSPVZCODSJCML-VIFPVBQESA-N 1 2 320.305 1.769 20 5 DDBDLO O=C1N=NC([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)O1 ZINC000332340005 410081090 /nfs/dbraw/zinc/08/10/90/410081090.db2.gz QRSPVZCODSJCML-VIFPVBQESA-N 1 2 320.305 1.769 20 5 DDBDLO O=C1N=NC([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)O1 ZINC000332340005 410081092 /nfs/dbraw/zinc/08/10/92/410081092.db2.gz QRSPVZCODSJCML-VIFPVBQESA-N 1 2 320.305 1.769 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298489403 410252275 /nfs/dbraw/zinc/25/22/75/410252275.db2.gz ISKCEDOXEJVIMY-LLVKDONJSA-N 1 2 324.362 1.467 20 5 DDBDLO O=[N+]([O-])c1c(NCC[NH+]2CCOCC2)ccc2ncccc21 ZINC000298679343 410344347 /nfs/dbraw/zinc/34/43/47/410344347.db2.gz BSRMQHHFFWLVIO-UHFFFAOYSA-N 1 2 302.334 1.887 20 5 DDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncnn1CCF ZINC000352571079 410668395 /nfs/dbraw/zinc/66/83/95/410668395.db2.gz PWIOTFKMLIEWGC-UHFFFAOYSA-N 1 2 307.329 1.830 20 5 DDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncnn1CCF ZINC000352571079 410668399 /nfs/dbraw/zinc/66/83/99/410668399.db2.gz PWIOTFKMLIEWGC-UHFFFAOYSA-N 1 2 307.329 1.830 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000347654586 410655390 /nfs/dbraw/zinc/65/53/90/410655390.db2.gz PTNIBAOUABAMTP-VERVWZFWSA-N 1 2 322.390 1.538 20 5 DDBDLO COc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000343904943 410796448 /nfs/dbraw/zinc/79/64/48/410796448.db2.gz CHOJFHVTUZZJCO-JTQLQIEISA-N 1 2 313.329 1.875 20 5 DDBDLO COc1cc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000343904943 410796455 /nfs/dbraw/zinc/79/64/55/410796455.db2.gz CHOJFHVTUZZJCO-JTQLQIEISA-N 1 2 313.329 1.875 20 5 DDBDLO NC(=O)c1cccc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000341345151 411014754 /nfs/dbraw/zinc/01/47/54/411014754.db2.gz JKAHUUAMLAXQFI-UHFFFAOYSA-N 1 2 301.306 1.613 20 5 DDBDLO C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451105087 533680001 /nfs/dbraw/zinc/68/00/01/533680001.db2.gz ILALEJDGXBYNCI-ZYHUDNBSSA-N 1 2 316.317 1.376 20 5 DDBDLO CN(Cc1ccc(N)[nH+]c1)c1nc2sccn2c1[N+](=O)[O-] ZINC000135986456 196512923 /nfs/dbraw/zinc/51/29/23/196512923.db2.gz KRCIZVKQZMGVKM-UHFFFAOYSA-N 1 2 304.335 1.918 20 5 DDBDLO C[C@@H]1COCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000374367699 418524702 /nfs/dbraw/zinc/52/47/02/418524702.db2.gz RVHJBGXOXXITFU-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO C[C@@H]1COCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000374367699 418524705 /nfs/dbraw/zinc/52/47/05/418524705.db2.gz RVHJBGXOXXITFU-LBPRGKRZSA-N 1 2 307.350 1.526 20 5 DDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)no1 ZINC000361780987 418710073 /nfs/dbraw/zinc/71/00/73/418710073.db2.gz BEIUZUZIHPTPLC-GFCCVEGCSA-N 1 2 317.349 1.997 20 5 DDBDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)no1 ZINC000361780987 418710075 /nfs/dbraw/zinc/71/00/75/418710075.db2.gz BEIUZUZIHPTPLC-GFCCVEGCSA-N 1 2 317.349 1.997 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361438454 418653303 /nfs/dbraw/zinc/65/33/03/418653303.db2.gz ZMMQQVFPUSOJAB-LBPRGKRZSA-N 1 2 310.354 1.098 20 5 DDBDLO Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000371280119 418774137 /nfs/dbraw/zinc/77/41/37/418774137.db2.gz NKZCDCCTXXITAV-JTQLQIEISA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1cccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000371280119 418774138 /nfs/dbraw/zinc/77/41/38/418774138.db2.gz NKZCDCCTXXITAV-JTQLQIEISA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)[nH+]c1 ZINC000364792179 418811387 /nfs/dbraw/zinc/81/13/87/418811387.db2.gz CRSKZCUNBBWHSF-STQMWFEESA-N 1 2 304.350 1.140 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1c(N)cccc1[N+](=O)[O-])CC2 ZINC000371727944 418812367 /nfs/dbraw/zinc/81/23/67/418812367.db2.gz NHFZGNUPLIQVQL-UHFFFAOYSA-N 1 2 301.306 1.338 20 5 DDBDLO CCN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000426119603 419388602 /nfs/dbraw/zinc/38/86/02/419388602.db2.gz ZBQNJWVBOFSKRQ-UHFFFAOYSA-N 1 2 321.377 1.916 20 5 DDBDLO CCN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000426119603 419388608 /nfs/dbraw/zinc/38/86/08/419388608.db2.gz ZBQNJWVBOFSKRQ-UHFFFAOYSA-N 1 2 321.377 1.916 20 5 DDBDLO O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000420994727 419431893 /nfs/dbraw/zinc/43/18/93/419431893.db2.gz NQGYNLCWFLPCTD-GFCCVEGCSA-N 1 2 319.361 1.913 20 5 DDBDLO O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000420994727 419431900 /nfs/dbraw/zinc/43/19/00/419431900.db2.gz NQGYNLCWFLPCTD-GFCCVEGCSA-N 1 2 319.361 1.913 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428003633 419785196 /nfs/dbraw/zinc/78/51/96/419785196.db2.gz DJOIBMPFWSFXQU-LBPRGKRZSA-N 1 2 300.318 1.465 20 5 DDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299539800 229195103 /nfs/dbraw/zinc/19/51/03/229195103.db2.gz OWFBGVYDNXNCBZ-SNVBAGLBSA-N 1 2 304.310 1.268 20 5 DDBDLO CNc1[nH+]cnc2c1cnn2Cc1ccc([N+](=O)[O-])cc1OC ZINC000429792961 420048275 /nfs/dbraw/zinc/04/82/75/420048275.db2.gz DLNIOEVJSNYSDB-UHFFFAOYSA-N 1 2 314.305 1.833 20 5 DDBDLO C[C@@H](CO)[C@@H](C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801299 420803058 /nfs/dbraw/zinc/80/30/58/420803058.db2.gz BQBCTMHSPCFOCG-QWHCGFSZSA-N 1 2 323.393 1.856 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459791941 420873513 /nfs/dbraw/zinc/87/35/13/420873513.db2.gz NNNJOIUXPNTNKQ-NSHDSACASA-N 1 2 317.349 1.926 20 5 DDBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548738494 421468679 /nfs/dbraw/zinc/46/86/79/421468679.db2.gz XGWRXLBEDLRNDJ-UHFFFAOYSA-N 1 2 316.321 1.112 20 5 DDBDLO CC[C@@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000563390559 421500466 /nfs/dbraw/zinc/50/04/66/421500466.db2.gz CHNYZZLQDWNNJE-SECBINFHSA-N 1 2 304.310 1.636 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535250395 421702018 /nfs/dbraw/zinc/70/20/18/421702018.db2.gz CKZICWGGSDPYFW-UHFFFAOYSA-N 1 2 315.333 1.596 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522293706 421822320 /nfs/dbraw/zinc/82/23/20/421822320.db2.gz SLKXYJFGFUFKCA-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522293706 421822321 /nfs/dbraw/zinc/82/23/21/421822321.db2.gz SLKXYJFGFUFKCA-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO CCCCC[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677960 276227675 /nfs/dbraw/zinc/22/76/75/276227675.db2.gz XNRRIKQIGCOLJG-UHFFFAOYSA-N 1 2 319.365 1.949 20 5 DDBDLO CCCCC[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677960 276227678 /nfs/dbraw/zinc/22/76/78/276227678.db2.gz XNRRIKQIGCOLJG-UHFFFAOYSA-N 1 2 319.365 1.949 20 5 DDBDLO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184605768 278893704 /nfs/dbraw/zinc/89/37/04/278893704.db2.gz XJEGJHDGIJQJJH-UHFFFAOYSA-N 1 2 307.350 1.714 20 5 DDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCn1cc[nH+]c1 ZINC000153074261 281774287 /nfs/dbraw/zinc/77/42/87/281774287.db2.gz FJAVZXUFWKKHJD-UHFFFAOYSA-N 1 2 313.317 1.632 20 5 DDBDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000102682962 289243702 /nfs/dbraw/zinc/24/37/02/289243702.db2.gz ZAZVMRNXXHEPOR-GFCCVEGCSA-N 1 2 306.366 1.194 20 5 DDBDLO NC(=O)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000339085127 295052404 /nfs/dbraw/zinc/05/24/04/295052404.db2.gz PDAYLTGONPSRLV-CYBMUJFWSA-N 1 2 323.349 1.061 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000280860294 297282428 /nfs/dbraw/zinc/28/24/28/297282428.db2.gz BCKBZUIVWUXOEG-NXEZZACHSA-N 1 2 305.334 1.655 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000280860294 297282430 /nfs/dbraw/zinc/28/24/30/297282430.db2.gz BCKBZUIVWUXOEG-NXEZZACHSA-N 1 2 305.334 1.655 20 5 DDBDLO C[C@H]1CCOCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362470153 300071479 /nfs/dbraw/zinc/07/14/79/300071479.db2.gz DLVBRIISGKUKEV-LBPRGKRZSA-N 1 2 307.350 1.668 20 5 DDBDLO C[C@H]1CCOCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362470153 300071483 /nfs/dbraw/zinc/07/14/83/300071483.db2.gz DLVBRIISGKUKEV-LBPRGKRZSA-N 1 2 307.350 1.668 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363122951 300214943 /nfs/dbraw/zinc/21/49/43/300214943.db2.gz VRVCDPMLVBFXNJ-SRVKXCTJSA-N 1 2 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O=[N+]([O-])c1cc(C[N@@H+]2CCn3cnnc3C2)c2c(c1)COCO2 ZINC000105877346 194154704 /nfs/dbraw/zinc/15/47/04/194154704.db2.gz FZPSFHTWBZIBFX-UHFFFAOYSA-N 1 2 317.305 1.069 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCn3cnnc3C2)c2c(c1)COCO2 ZINC000105877346 194154706 /nfs/dbraw/zinc/15/47/06/194154706.db2.gz FZPSFHTWBZIBFX-UHFFFAOYSA-N 1 2 317.305 1.069 20 5 DDBDLO COc1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352370943 285002181 /nfs/dbraw/zinc/00/21/81/285002181.db2.gz FLUPBAURJIGHCN-MRXNPFEDSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352370943 285002183 /nfs/dbraw/zinc/00/21/83/285002183.db2.gz FLUPBAURJIGHCN-MRXNPFEDSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352544933 285130267 /nfs/dbraw/zinc/13/02/67/285130267.db2.gz DUGNFNVHJOWHKW-QWHCGFSZSA-N 1 2 319.361 1.846 20 5 DDBDLO COc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352544933 285130269 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CC(C)C[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000026125631 406902416 /nfs/dbraw/zinc/90/24/16/406902416.db2.gz JESWJCQKCQMOPM-UHFFFAOYSA-N 1 2 323.349 1.405 20 5 DDBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000054531807 407186037 /nfs/dbraw/zinc/18/60/37/407186037.db2.gz GRSNXBQJYIHIRL-UHFFFAOYSA-N 1 2 318.377 1.339 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111688075 407414315 /nfs/dbraw/zinc/41/43/15/407414315.db2.gz QFRNPUQEIMEELU-UHFFFAOYSA-N 1 2 308.338 1.190 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000111688075 407414317 /nfs/dbraw/zinc/41/43/17/407414317.db2.gz QFRNPUQEIMEELU-UHFFFAOYSA-N 1 2 308.338 1.190 20 5 DDBDLO C[N@@H+](Cc1ccon1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265827447 407473340 /nfs/dbraw/zinc/47/33/40/407473340.db2.gz TUZKZVJLWMUZNO-CYBMUJFWSA-N 1 2 307.306 1.455 20 5 DDBDLO C[N@H+](Cc1ccon1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265827447 407473343 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DDBDLO CCC[N@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175115294 408056098 /nfs/dbraw/zinc/05/60/98/408056098.db2.gz UOOUJXDDQKUUBQ-UHFFFAOYSA-N 1 2 309.366 1.952 20 5 DDBDLO CCC[N@@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175115294 408056103 /nfs/dbraw/zinc/05/61/03/408056103.db2.gz UOOUJXDDQKUUBQ-UHFFFAOYSA-N 1 2 309.366 1.952 20 5 DDBDLO CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273426888 408193249 /nfs/dbraw/zinc/19/32/49/408193249.db2.gz ZSVUMJPHZJGGDF-LBPRGKRZSA-N 1 2 314.363 1.089 20 5 DDBDLO CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273426888 408193252 /nfs/dbraw/zinc/19/32/52/408193252.db2.gz ZSVUMJPHZJGGDF-LBPRGKRZSA-N 1 2 314.363 1.089 20 5 DDBDLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246143439 408153541 /nfs/dbraw/zinc/15/35/41/408153541.db2.gz KWSJTAUFLAHROJ-WDEREUQCSA-N 1 2 308.338 1.428 20 5 DDBDLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246143439 408153544 /nfs/dbraw/zinc/15/35/44/408153544.db2.gz KWSJTAUFLAHROJ-WDEREUQCSA-N 1 2 308.338 1.428 20 5 DDBDLO Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)ncc1[N+](=O)[O-] ZINC000273461088 408210000 /nfs/dbraw/zinc/21/00/00/408210000.db2.gz GMRSQQUNYGQMPP-UHFFFAOYSA-N 1 2 314.349 1.723 20 5 DDBDLO CN(C)c1[nH+]cccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176122046 408289740 /nfs/dbraw/zinc/28/97/40/408289740.db2.gz JIKJOALSLDZNGM-UHFFFAOYSA-N 1 2 301.306 1.890 20 5 DDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000274406205 408394745 /nfs/dbraw/zinc/39/47/45/408394745.db2.gz BIJZKQIKGNTHQW-UHFFFAOYSA-N 1 2 315.333 1.851 20 5 DDBDLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000264501977 408514903 /nfs/dbraw/zinc/51/49/03/408514903.db2.gz YCFRROKSPAMSGJ-SNVBAGLBSA-N 1 2 313.379 1.185 20 5 DDBDLO Cc1c(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000161709619 408631502 /nfs/dbraw/zinc/63/15/02/408631502.db2.gz VTYADLRBDSJOQQ-LBPRGKRZSA-N 1 2 321.377 1.283 20 5 DDBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000276528120 408876347 /nfs/dbraw/zinc/87/63/47/408876347.db2.gz HGKZHIPOOFGODP-NEPJUHHUSA-N 1 2 308.334 1.245 20 5 DDBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000276528120 408876349 /nfs/dbraw/zinc/87/63/49/408876349.db2.gz HGKZHIPOOFGODP-NEPJUHHUSA-N 1 2 308.334 1.245 20 5 DDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC000286014905 408907131 /nfs/dbraw/zinc/90/71/31/408907131.db2.gz PPOATBOMPSLUMF-DGCLKSJQSA-N 1 2 311.407 1.951 20 5 DDBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277636419 408982318 /nfs/dbraw/zinc/98/23/18/408982318.db2.gz ZEYOHQUYKJXFCL-GTJPDFRWSA-N 1 2 312.391 1.674 20 5 DDBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277636419 408982320 /nfs/dbraw/zinc/98/23/20/408982320.db2.gz ZEYOHQUYKJXFCL-GTJPDFRWSA-N 1 2 312.391 1.674 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000287417393 409033827 /nfs/dbraw/zinc/03/38/27/409033827.db2.gz QCAIGJXPJWTXJN-OLZOCXBDSA-N 1 2 319.361 1.530 20 5 DDBDLO CC(=O)c1ccc(N(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000278813265 409094286 /nfs/dbraw/zinc/09/42/86/409094286.db2.gz INTPRMWMPNVEFN-GFCCVEGCSA-N 1 2 321.377 1.954 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000293691652 409161063 /nfs/dbraw/zinc/16/10/63/409161063.db2.gz BVNKINMMWYAUBU-WDEREUQCSA-N 1 2 320.267 1.541 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000293691652 409161065 /nfs/dbraw/zinc/16/10/65/409161065.db2.gz BVNKINMMWYAUBU-WDEREUQCSA-N 1 2 320.267 1.541 20 5 DDBDLO C[NH+](C)CCn1nccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293964086 409216161 /nfs/dbraw/zinc/21/61/61/409216161.db2.gz FJYGTCXORRTVCQ-UHFFFAOYSA-N 1 2 319.321 1.311 20 5 DDBDLO CN(C)c1cc(F)c(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000294316882 409277122 /nfs/dbraw/zinc/27/71/22/409277122.db2.gz CZVMGKYEXLKQEJ-UHFFFAOYSA-N 1 2 321.312 1.426 20 5 DDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285575540 409494111 /nfs/dbraw/zinc/49/41/11/409494111.db2.gz ANSPCTMCLRATIP-SWLSCSKDSA-N 1 2 319.361 1.530 20 5 DDBDLO Cc1n[nH]c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000338118448 409728645 /nfs/dbraw/zinc/72/86/45/409728645.db2.gz LEDBWUOVTYRXNT-JTQLQIEISA-N 1 2 316.321 1.030 20 5 DDBDLO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000308687608 409786246 /nfs/dbraw/zinc/78/62/46/409786246.db2.gz FGBXEYKIXJSFKK-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357668462 410174910 /nfs/dbraw/zinc/17/49/10/410174910.db2.gz VVQWIJNDBRNDFR-LLVKDONJSA-N 1 2 315.333 1.675 20 5 DDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357668462 410174920 /nfs/dbraw/zinc/17/49/20/410174920.db2.gz VVQWIJNDBRNDFR-LLVKDONJSA-N 1 2 315.333 1.675 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000343293272 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ZINC000933231017 714543210 /nfs/dbraw/zinc/54/32/10/714543210.db2.gz POWGPOUFIDKYAE-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935329601 715029376 /nfs/dbraw/zinc/02/93/76/715029376.db2.gz REMCVVPMXBDSMQ-LSDHHAIUSA-N 1 2 314.345 1.791 20 5 DDBDLO CN(C)c1[nH+]ccc2c1CN(c1c([N+](=O)[O-])cnn1C)CC2 ZINC001120905646 782223955 /nfs/dbraw/zinc/22/39/55/782223955.db2.gz ULMMAHUGGXJROT-UHFFFAOYSA-N 1 2 302.338 1.352 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])ncc1NCc1cc[nH+]c(N)c1 ZINC001167618357 734836010 /nfs/dbraw/zinc/83/60/10/734836010.db2.gz HMMAXGFVBCNBFG-UHFFFAOYSA-N 1 2 303.278 1.366 20 5 DDBDLO CN(CCCNC(=O)Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC001095582749 750055784 /nfs/dbraw/zinc/05/57/84/750055784.db2.gz IXRRFVKMJVXFNS-UHFFFAOYSA-N 1 2 317.349 1.434 20 5 DDBDLO COc1ccc(C[C@H](C)[NH2+]CC(F)(F)CO)c([N+](=O)[O-])c1 ZINC001170313468 766245452 /nfs/dbraw/zinc/24/54/52/766245452.db2.gz NLNCPPWZPZNIDV-VIFPVBQESA-N 1 2 304.293 1.752 20 5 DDBDLO CCCC(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096267910 768843309 /nfs/dbraw/zinc/84/33/09/768843309.db2.gz PJDYTXPDXPLFKR-UHFFFAOYSA-N 1 2 320.393 1.633 20 5 DDBDLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001175079532 777685147 /nfs/dbraw/zinc/68/51/47/777685147.db2.gz MMQCDMCZQWIYRZ-CQSZACIVSA-N 1 2 316.317 1.448 20 5 DDBDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001175079532 777685153 /nfs/dbraw/zinc/68/51/53/777685153.db2.gz MMQCDMCZQWIYRZ-CQSZACIVSA-N 1 2 316.317 1.448 20 5 DDBDLO C[C@H](O)CNc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)nc[nH+]1 ZINC001118003765 780983826 /nfs/dbraw/zinc/98/38/26/780983826.db2.gz FTJBVIIBEVMNEX-JTQLQIEISA-N 1 2 315.333 1.698 20 5 DDBDLO C[C@H](O)CNc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)[nH+]cn1 ZINC001118003765 780983828 /nfs/dbraw/zinc/98/38/28/780983828.db2.gz FTJBVIIBEVMNEX-JTQLQIEISA-N 1 2 315.333 1.698 20 5 DDBDLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001119398423 781436808 /nfs/dbraw/zinc/43/68/08/781436808.db2.gz NOENRWCTVKSVKK-BXUZGUMPSA-N 1 2 317.349 1.656 20 5 DDBDLO C[C@@H]1[C@H](O)CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001119398423 781436810 /nfs/dbraw/zinc/43/68/10/781436810.db2.gz NOENRWCTVKSVKK-BXUZGUMPSA-N 1 2 317.349 1.656 20 5 DDBDLO O=[N+]([O-])c1cccc2ncnc(N3CC[NH2+]CC(F)(F)C3)c21 ZINC001164502513 869239740 /nfs/dbraw/zinc/23/97/40/869239740.db2.gz WTDYGVCFWNSQIK-UHFFFAOYSA-N 1 2 309.276 1.583 20 5 DDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001298232960 870377412 /nfs/dbraw/zinc/37/74/12/870377412.db2.gz XBMYMDOMPRPILP-VIFPVBQESA-N 1 2 311.301 1.627 20 5 DDBDLO CSc1nc(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625085 883108622 /nfs/dbraw/zinc/10/86/22/883108622.db2.gz OIAVFNBMLNHRGU-QMMMGPOBSA-N 1 2 314.367 1.675 20 5 DDBDLO CSc1nc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625085 883108634 /nfs/dbraw/zinc/10/86/34/883108634.db2.gz OIAVFNBMLNHRGU-QMMMGPOBSA-N 1 2 314.367 1.675 20 5 DDBDLO C[C@@H]1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001218480825 877496002 /nfs/dbraw/zinc/49/60/02/877496002.db2.gz GSTXCERMHPARBY-PELKAZGASA-N 1 2 304.306 1.620 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228602784 883569327 /nfs/dbraw/zinc/56/93/27/883569327.db2.gz FLFWRVYDXQUXSU-VIFPVBQESA-N 1 2 324.337 1.067 20 5 DDBDLO COC(=O)c1c(OC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001229049994 883791658 /nfs/dbraw/zinc/79/16/58/883791658.db2.gz QMYYTKXEPVRFQC-JTQLQIEISA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1c(OC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001229049994 883791670 /nfs/dbraw/zinc/79/16/70/883791670.db2.gz QMYYTKXEPVRFQC-JTQLQIEISA-N 1 2 310.306 1.091 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000297151985 529571939 /nfs/dbraw/zinc/57/19/39/529571939.db2.gz JAXJPCVGWAJPDP-UHFFFAOYSA-N 1 2 303.322 1.540 20 5 DDBDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000152581004 186086731 /nfs/dbraw/zinc/08/67/31/186086731.db2.gz ZHPNPWXKUGONIM-CYBMUJFWSA-N 1 2 307.350 1.574 20 5 DDBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000152581004 186086733 /nfs/dbraw/zinc/08/67/33/186086733.db2.gz ZHPNPWXKUGONIM-CYBMUJFWSA-N 1 2 307.350 1.574 20 5 DDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253435 358464406 /nfs/dbraw/zinc/46/44/06/358464406.db2.gz NEDYIWVUWARGGV-UHFFFAOYSA-N 1 2 314.349 1.145 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000010505586 352140185 /nfs/dbraw/zinc/14/01/85/352140185.db2.gz ZUUGGSBKLYSGSB-UHFFFAOYSA-N 1 2 320.349 1.039 20 5 DDBDLO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000029958212 352247889 /nfs/dbraw/zinc/24/78/89/352247889.db2.gz MMUKXAMWXZCRPX-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000047151052 352484309 /nfs/dbraw/zinc/48/43/09/352484309.db2.gz LAUCPTCDDCTOIJ-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO CCC[N@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182174462 199398732 /nfs/dbraw/zinc/39/87/32/199398732.db2.gz KOZWWLHMCQPWOQ-UHFFFAOYSA-N 1 2 316.379 1.073 20 5 DDBDLO CCC[N@@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182174462 199398733 /nfs/dbraw/zinc/39/87/33/199398733.db2.gz KOZWWLHMCQPWOQ-UHFFFAOYSA-N 1 2 316.379 1.073 20 5 DDBDLO Cc1cccn2cc(CCNc3c([N+](=O)[O-])ncn3C)[nH+]c12 ZINC000080676019 353622133 /nfs/dbraw/zinc/62/21/33/353622133.db2.gz RBVSDGUYSKUKCN-UHFFFAOYSA-N 1 2 300.322 1.939 20 5 DDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CC2)CC1 ZINC000124763344 354042083 /nfs/dbraw/zinc/04/20/83/354042083.db2.gz DOGCXTYFVSLMTK-UHFFFAOYSA-N 1 2 315.333 1.391 20 5 DDBDLO O=C(Cn1cc[nH+]c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000156866419 354222252 /nfs/dbraw/zinc/22/22/52/354222252.db2.gz KGMJQFSDZFNERV-UHFFFAOYSA-N 1 2 300.318 1.983 20 5 DDBDLO Cc1sc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000371196043 307144527 /nfs/dbraw/zinc/14/45/27/307144527.db2.gz BMZDQXPXTAOYRQ-QMMMGPOBSA-N 1 2 306.347 1.975 20 5 DDBDLO Cc1sc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000371196043 307144528 /nfs/dbraw/zinc/14/45/28/307144528.db2.gz BMZDQXPXTAOYRQ-QMMMGPOBSA-N 1 2 306.347 1.975 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCc2[nH]c[nH+]c2C1 ZINC000590377800 355078332 /nfs/dbraw/zinc/07/83/32/355078332.db2.gz XUHXUPARWBGPKH-UHFFFAOYSA-N 1 2 302.290 1.282 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590377800 355078333 /nfs/dbraw/zinc/07/83/33/355078333.db2.gz XUHXUPARWBGPKH-UHFFFAOYSA-N 1 2 302.290 1.282 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000494783418 235088957 /nfs/dbraw/zinc/08/89/57/235088957.db2.gz FYGQKCNBXPYCAR-SNVBAGLBSA-N 1 2 318.337 1.321 20 5 DDBDLO O=C(NCC1(CO)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590677913 355145480 /nfs/dbraw/zinc/14/54/80/355145480.db2.gz XIESZJSOEKYXSR-UHFFFAOYSA-N 1 2 316.317 1.283 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593061997 355783831 /nfs/dbraw/zinc/78/38/31/355783831.db2.gz WLPHJOJSAXCOAN-NWDGAFQWSA-N 1 2 300.742 1.830 20 5 DDBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593061997 355783832 /nfs/dbraw/zinc/78/38/32/355783832.db2.gz WLPHJOJSAXCOAN-NWDGAFQWSA-N 1 2 300.742 1.830 20 5 DDBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000593610678 355941577 /nfs/dbraw/zinc/94/15/77/355941577.db2.gz YZJAPLVNUQNJEX-WCBMZHEXSA-N 1 2 323.334 1.171 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597577958 357236001 /nfs/dbraw/zinc/23/60/01/357236001.db2.gz IIXSAXKLQFIWDN-JSGCOSHPSA-N 1 2 323.324 1.559 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)c(C)c1[N+](=O)[O-] ZINC000598608108 357651726 /nfs/dbraw/zinc/65/17/26/357651726.db2.gz SNQJSMXIWRABSV-UHFFFAOYSA-N 1 2 313.379 1.196 20 5 DDBDLO Cc1ccc(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)c(C)c1[N+](=O)[O-] ZINC000598613701 357653501 /nfs/dbraw/zinc/65/35/01/357653501.db2.gz CMTOHELIJZEOID-UHFFFAOYSA-N 1 2 324.362 1.755 20 5 DDBDLO Cc1ccc(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)c(C)c1[N+](=O)[O-] ZINC000598613701 357653506 /nfs/dbraw/zinc/65/35/06/357653506.db2.gz CMTOHELIJZEOID-UHFFFAOYSA-N 1 2 324.362 1.755 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000598944486 357769047 /nfs/dbraw/zinc/76/90/47/357769047.db2.gz OHRSIYXYRWTSBM-SECBINFHSA-N 1 2 302.290 1.155 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000599355716 357906738 /nfs/dbraw/zinc/90/67/38/357906738.db2.gz FKWDKBQCAYKZPR-UHFFFAOYSA-N 1 2 310.335 1.413 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000599355716 357906742 /nfs/dbraw/zinc/90/67/42/357906742.db2.gz FKWDKBQCAYKZPR-UHFFFAOYSA-N 1 2 310.335 1.413 20 5 DDBDLO CCOC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000599620889 357995416 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DDBDLO COC(C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000273597249 408260187 /nfs/dbraw/zinc/26/01/87/408260187.db2.gz KKJJXYNEFMZDHU-UHFFFAOYSA-N 1 2 316.329 1.537 20 5 DDBDLO COC(C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000273597249 408260193 /nfs/dbraw/zinc/26/01/93/408260193.db2.gz KKJJXYNEFMZDHU-UHFFFAOYSA-N 1 2 316.329 1.537 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246831201 408350319 /nfs/dbraw/zinc/35/03/19/408350319.db2.gz DTYPKWYEVJMRIF-CVEARBPZSA-N 1 2 322.361 1.853 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246831201 408350325 /nfs/dbraw/zinc/35/03/25/408350325.db2.gz DTYPKWYEVJMRIF-CVEARBPZSA-N 1 2 322.361 1.853 20 5 DDBDLO C[C@H](O)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177425202 408612820 /nfs/dbraw/zinc/61/28/20/408612820.db2.gz JXIPHQXKWPDPFK-JTQLQIEISA-N 1 2 304.306 1.233 20 5 DDBDLO C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000177505854 408641371 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319.317 1.500 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185138706 408766897 /nfs/dbraw/zinc/76/68/97/408766897.db2.gz ACYDQPDZYWSBFV-HNNXBMFYSA-N 1 2 308.334 1.465 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185138706 408766904 /nfs/dbraw/zinc/76/69/04/408766904.db2.gz ACYDQPDZYWSBFV-HNNXBMFYSA-N 1 2 308.334 1.465 20 5 DDBDLO COc1ccc(C[NH2+]Cc2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000191896330 163207742 /nfs/dbraw/zinc/20/77/42/163207742.db2.gz UULHJXWJQCQULG-UHFFFAOYSA-N 1 2 307.310 1.342 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000192567110 163228296 /nfs/dbraw/zinc/22/82/96/163228296.db2.gz WTFKETQUXVAXLR-CMPLNLGQSA-N 1 2 311.386 1.641 20 5 DDBDLO Cc1nn(C)c(C(=O)NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000193927907 163271927 /nfs/dbraw/zinc/27/19/27/163271927.db2.gz XBSZWCKAQNQTKP-UHFFFAOYSA-N 1 2 318.337 1.028 20 5 DDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195177183 163310161 /nfs/dbraw/zinc/31/01/61/163310161.db2.gz XSHCHZUGUMFCSN-UHFFFAOYSA-N 1 2 312.289 1.820 20 5 DDBDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000277839393 409021802 /nfs/dbraw/zinc/02/18/02/409021802.db2.gz SBWSAPSEAQMOOJ-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000277839393 409021806 /nfs/dbraw/zinc/02/18/06/409021806.db2.gz SBWSAPSEAQMOOJ-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO COC(=O)Cc1ccc(NCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000296974262 409738459 /nfs/dbraw/zinc/73/84/59/409738459.db2.gz DITMBVSBULVAKJ-UHFFFAOYSA-N 1 2 304.306 1.656 20 5 DDBDLO Cc1n[nH]c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000354736499 410049465 /nfs/dbraw/zinc/04/94/65/410049465.db2.gz SKLOGMWSWWIMJQ-UHFFFAOYSA-N 1 2 314.305 1.512 20 5 DDBDLO CO[C@@H](C)c1noc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000357678093 410182275 /nfs/dbraw/zinc/18/22/75/410182275.db2.gz YWVOBFVHGXKVOQ-VIFPVBQESA-N 1 2 310.314 1.014 20 5 DDBDLO CO[C@@H](C)c1noc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000357678093 410182281 /nfs/dbraw/zinc/18/22/81/410182281.db2.gz YWVOBFVHGXKVOQ-VIFPVBQESA-N 1 2 310.314 1.014 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnnn1C ZINC000347350330 410489184 /nfs/dbraw/zinc/48/91/84/410489184.db2.gz ADGKEGZLPGYNJB-XFFZJAGNSA-N 1 2 302.338 1.654 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnnn1C ZINC000347350330 410489188 /nfs/dbraw/zinc/48/91/88/410489188.db2.gz ADGKEGZLPGYNJB-XFFZJAGNSA-N 1 2 302.338 1.654 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352988840 410718283 /nfs/dbraw/zinc/71/82/83/410718283.db2.gz PKLCPKDDVYVZOE-SCDSUCTJSA-N 1 2 310.375 1.775 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000352988840 410718290 /nfs/dbraw/zinc/71/82/90/410718290.db2.gz PKLCPKDDVYVZOE-SCDSUCTJSA-N 1 2 310.375 1.775 20 5 DDBDLO C[C@@H](CC(N)=O)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353391879 410960866 /nfs/dbraw/zinc/96/08/66/410960866.db2.gz FGRNNOFJFLLOFM-HZMBPMFUSA-N 1 2 317.349 1.271 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+]CCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353646694 411097979 /nfs/dbraw/zinc/09/79/79/411097979.db2.gz QRRPWVJMHMVWRO-OAHLLOKOSA-N 1 2 315.377 1.713 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+]CCN1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353649624 411098455 /nfs/dbraw/zinc/09/84/55/411098455.db2.gz YJWKPGVHERFRHF-OAHLLOKOSA-N 1 2 315.377 1.713 20 5 DDBDLO CCS(=O)(=O)CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000129155098 196024270 /nfs/dbraw/zinc/02/42/70/196024270.db2.gz DOSRBTKUSCAJLL-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO CCS(=O)(=O)CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000129155098 196024271 /nfs/dbraw/zinc/02/42/71/196024271.db2.gz DOSRBTKUSCAJLL-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129774627 196075101 /nfs/dbraw/zinc/07/51/01/196075101.db2.gz YNXDZLPFPULNQU-SECBINFHSA-N 1 2 300.746 1.776 20 5 DDBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccon1 ZINC000618761242 417243556 /nfs/dbraw/zinc/24/35/56/417243556.db2.gz WZOLFFIULARLOJ-UHFFFAOYSA-N 1 2 320.309 1.055 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367647439 418618276 /nfs/dbraw/zinc/61/82/76/418618276.db2.gz BBWVIMSNXOUBMN-LLVKDONJSA-N 1 2 305.334 1.657 20 5 DDBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000407993571 418780795 /nfs/dbraw/zinc/78/07/95/418780795.db2.gz QFPGSRGIUSSUBZ-NHYWBVRUSA-N 1 2 308.334 1.680 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000407993571 418780796 /nfs/dbraw/zinc/78/07/96/418780796.db2.gz QFPGSRGIUSSUBZ-NHYWBVRUSA-N 1 2 308.334 1.680 20 5 DDBDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411224544 418882223 /nfs/dbraw/zinc/88/22/23/418882223.db2.gz FGZSCLDGRVBHAG-UHFFFAOYSA-N 1 2 309.322 1.465 20 5 DDBDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000411371933 418897804 /nfs/dbraw/zinc/89/78/04/418897804.db2.gz BFSSIRFHLNPMFR-KOLCDFICSA-N 1 2 317.353 1.664 20 5 DDBDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000411371933 418897806 /nfs/dbraw/zinc/89/78/06/418897806.db2.gz BFSSIRFHLNPMFR-KOLCDFICSA-N 1 2 317.353 1.664 20 5 DDBDLO Cc1cc(N[C@@H]2CC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425290385 228408192 /nfs/dbraw/zinc/40/81/92/228408192.db2.gz XAORJHUYSMBPTF-CHWSQXEVSA-N 1 2 300.318 1.717 20 5 DDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 ZINC000427772395 419730353 /nfs/dbraw/zinc/73/03/53/419730353.db2.gz VALUQSOLQXFILH-NSHDSACASA-N 1 2 322.365 1.018 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 ZINC000427772395 419730359 /nfs/dbraw/zinc/73/03/59/419730359.db2.gz VALUQSOLQXFILH-NSHDSACASA-N 1 2 322.365 1.018 20 5 DDBDLO CNc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000428357571 419855304 /nfs/dbraw/zinc/85/53/04/419855304.db2.gz FKMJXLJSYXUSEG-JTQLQIEISA-N 1 2 315.333 1.578 20 5 DDBDLO Cc1cc(S(=O)(=O)NCc2c[nH+]cn2C)c(C)cc1[N+](=O)[O-] ZINC000416484095 420389015 /nfs/dbraw/zinc/38/90/15/420389015.db2.gz QIRHENBXXZETAM-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000451755256 420610276 /nfs/dbraw/zinc/61/02/76/420610276.db2.gz DNYSYMIJEJQMJD-VXGBXAGGSA-N 1 2 320.267 1.805 20 5 DDBDLO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000451755256 420610280 /nfs/dbraw/zinc/61/02/80/420610280.db2.gz DNYSYMIJEJQMJD-VXGBXAGGSA-N 1 2 320.267 1.805 20 5 DDBDLO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCNC1=O ZINC000440961176 420621788 /nfs/dbraw/zinc/62/17/88/420621788.db2.gz MTDNSDDMPVLVGJ-ZDUSSCGKSA-N 1 2 320.349 1.052 20 5 DDBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCNC1=O ZINC000440961176 420621792 /nfs/dbraw/zinc/62/17/92/420621792.db2.gz MTDNSDDMPVLVGJ-ZDUSSCGKSA-N 1 2 320.349 1.052 20 5 DDBDLO CC[C@@H](CCO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447806350 420802251 /nfs/dbraw/zinc/80/22/51/420802251.db2.gz NBSVJLQWOHQVBW-AWEZNQCLSA-N 1 2 323.393 2.000 20 5 DDBDLO Cc1nc(N(C)Cc2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000488383673 421086755 /nfs/dbraw/zinc/08/67/55/421086755.db2.gz IBKYZNPSTJVFDT-UHFFFAOYSA-N 1 2 302.338 1.791 20 5 DDBDLO Cc1nc(N(C)C)nc(N(C)Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000488383673 421086758 /nfs/dbraw/zinc/08/67/58/421086758.db2.gz IBKYZNPSTJVFDT-UHFFFAOYSA-N 1 2 302.338 1.791 20 5 DDBDLO COc1ccc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000524312657 421257338 /nfs/dbraw/zinc/25/73/38/421257338.db2.gz AUDKZXMMKMEUGQ-NSHDSACASA-N 1 2 318.333 1.547 20 5 DDBDLO CN1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562443906 421368081 /nfs/dbraw/zinc/36/80/81/421368081.db2.gz MWPOTUXDVAOEIW-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO CN1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562443906 421368083 /nfs/dbraw/zinc/36/80/83/421368083.db2.gz MWPOTUXDVAOEIW-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO COc1c(C)[nH+]cnc1NCCNc1ccccc1[N+](=O)[O-] ZINC000594543762 422350247 /nfs/dbraw/zinc/35/02/47/422350247.db2.gz PXOUJYFYCYTSBB-UHFFFAOYSA-N 1 2 303.322 2.226 20 5 DDBDLO Cn1c(C(=O)NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000345402341 272241205 /nfs/dbraw/zinc/24/12/05/272241205.db2.gz CLSUUMBVSNFIQZ-UHFFFAOYSA-N 1 2 313.317 1.554 20 5 DDBDLO Cc1cccn2cc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])[nH+]c12 ZINC000345403067 272241375 /nfs/dbraw/zinc/24/13/75/272241375.db2.gz BFNBDYWKKZHUPA-UHFFFAOYSA-N 1 2 314.305 1.214 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000190328509 280379278 /nfs/dbraw/zinc/37/92/78/280379278.db2.gz OKZBUEQOENEETM-NSHDSACASA-N 1 2 312.395 1.600 20 5 DDBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000450790780 288279375 /nfs/dbraw/zinc/27/93/75/288279375.db2.gz HJPRKJMRRNOGSI-AOOOYVTPSA-N 1 2 314.773 1.535 20 5 DDBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000450790780 288279376 /nfs/dbraw/zinc/27/93/76/288279376.db2.gz HJPRKJMRRNOGSI-AOOOYVTPSA-N 1 2 314.773 1.535 20 5 DDBDLO Cc1oncc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459501343 294064348 /nfs/dbraw/zinc/06/43/48/294064348.db2.gz DBMYTDSBWFILOS-UHFFFAOYSA-N 1 2 303.322 1.608 20 5 DDBDLO Cc1nnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000365519076 300527180 /nfs/dbraw/zinc/52/71/80/300527180.db2.gz VUIURHWWEACENI-UHFFFAOYSA-N 1 2 308.367 1.788 20 5 DDBDLO CCc1nn(C)c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000367735184 300879342 /nfs/dbraw/zinc/87/93/42/300879342.db2.gz XFKPGLJWPGLVMP-NEPJUHHUSA-N 1 2 323.397 1.190 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370044955 301264776 /nfs/dbraw/zinc/26/47/76/301264776.db2.gz IQJTUBVOSLOXFX-LBPRGKRZSA-N 1 2 321.381 1.305 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370044955 301264778 /nfs/dbraw/zinc/26/47/78/301264778.db2.gz IQJTUBVOSLOXFX-LBPRGKRZSA-N 1 2 321.381 1.305 20 5 DDBDLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355124562 306794584 /nfs/dbraw/zinc/79/45/84/306794584.db2.gz CEZLVUDKBMDZPX-VHSXEESVSA-N 1 2 309.322 1.463 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000357306312 306875223 /nfs/dbraw/zinc/87/52/23/306875223.db2.gz SOCGRDHAZPLPMY-JTQLQIEISA-N 1 2 303.322 1.652 20 5 DDBDLO CN1CCC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000538703306 303388684 /nfs/dbraw/zinc/38/86/84/303388684.db2.gz QGCRLMKNMTZNMQ-OAHLLOKOSA-N 1 2 318.377 1.338 20 5 DDBDLO COC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000544513262 307716987 /nfs/dbraw/zinc/71/69/87/307716987.db2.gz QJNUUSRAJIKHSR-ZDUSSCGKSA-N 1 2 310.354 1.503 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ncn1 ZINC000562377381 307936687 /nfs/dbraw/zinc/93/66/87/307936687.db2.gz INHABTBSWBOBSU-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOC[C@H]1CCCO1)CCO2 ZINC000564411654 484337808 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317.349 1.687 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000286592950 219071162 /nfs/dbraw/zinc/07/11/62/219071162.db2.gz VYOMBOWSXPPQPR-NSHDSACASA-N 1 2 317.292 1.113 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000286592950 219071165 /nfs/dbraw/zinc/07/11/65/219071165.db2.gz VYOMBOWSXPPQPR-NSHDSACASA-N 1 2 317.292 1.113 20 5 DDBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000615137824 362169130 /nfs/dbraw/zinc/16/91/30/362169130.db2.gz ZUWPZCQUQWYAPN-UHFFFAOYSA-N 1 2 319.361 1.745 20 5 DDBDLO O=C(C1CC1)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000615137824 362169134 /nfs/dbraw/zinc/16/91/34/362169134.db2.gz ZUWPZCQUQWYAPN-UHFFFAOYSA-N 1 2 319.361 1.745 20 5 DDBDLO CN(CC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000457865672 529834478 /nfs/dbraw/zinc/83/44/78/529834478.db2.gz VEEYAEUSDLVDJX-UHFFFAOYSA-N 1 2 317.349 1.123 20 5 DDBDLO CN(CCCO)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451652215 529893281 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DDBDLO CN(CC(=O)N1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000590553166 355111619 /nfs/dbraw/zinc/11/16/19/355111619.db2.gz YMKQERBKOWNARU-UHFFFAOYSA-N 1 2 315.333 1.339 20 5 DDBDLO CN(CC(=O)N1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000590553166 355111622 /nfs/dbraw/zinc/11/16/22/355111622.db2.gz YMKQERBKOWNARU-UHFFFAOYSA-N 1 2 315.333 1.339 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000590599110 355125732 /nfs/dbraw/zinc/12/57/32/355125732.db2.gz HSGCGMBDJVUBLR-ZDUSSCGKSA-N 1 2 318.333 1.047 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(C(=O)N(C)C)CC2)c1 ZINC000593033876 355775262 /nfs/dbraw/zinc/77/52/62/355775262.db2.gz GQOLPRYDLDFPNJ-UHFFFAOYSA-N 1 2 321.333 1.092 20 5 DDBDLO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000565206887 304052298 /nfs/dbraw/zinc/05/22/98/304052298.db2.gz HUHHXNCBTFDTSK-GHMZBOCLSA-N 1 2 307.350 1.855 20 5 DDBDLO Cc1noc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595496858 356518783 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ZINC000880522854 707001740 /nfs/dbraw/zinc/00/17/40/707001740.db2.gz CQGYWGBLJRFJQQ-ABAIWWIYSA-N 1 2 319.361 1.704 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880522854 707001742 /nfs/dbraw/zinc/00/17/42/707001742.db2.gz CQGYWGBLJRFJQQ-ABAIWWIYSA-N 1 2 319.361 1.704 20 5 DDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351393 707597151 /nfs/dbraw/zinc/59/71/51/707597151.db2.gz RQZXJOFLJBQHOP-GHMZBOCLSA-N 1 2 310.329 1.428 20 5 DDBDLO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000837667541 707711429 /nfs/dbraw/zinc/71/14/29/707711429.db2.gz XMAVYHMNXCOJHS-UHFFFAOYSA-N 1 2 320.305 1.319 20 5 DDBDLO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000839032434 708018938 /nfs/dbraw/zinc/01/89/38/708018938.db2.gz PDHHBVSIVFYGSA-UHFFFAOYSA-N 1 2 304.350 1.481 20 5 DDBDLO CCn1c[nH+]c2c1CCN(c1c([N+](=O)[O-])c(C)nn1CC)C2 ZINC000896659426 708110380 /nfs/dbraw/zinc/11/03/80/708110380.db2.gz FBRHCVKZMHHRPD-UHFFFAOYSA-N 1 2 304.354 1.899 20 5 DDBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886207923 708715082 /nfs/dbraw/zinc/71/50/82/708715082.db2.gz PORGERJFBHSLKH-LBPRGKRZSA-N 1 2 308.338 1.700 20 5 DDBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886207923 708715084 /nfs/dbraw/zinc/71/50/84/708715084.db2.gz PORGERJFBHSLKH-LBPRGKRZSA-N 1 2 308.338 1.700 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCn3nncc3C2)c1 ZINC000886452482 708762794 /nfs/dbraw/zinc/76/27/94/708762794.db2.gz DPOFOTCJJIWREQ-UHFFFAOYSA-N 1 2 303.322 1.471 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCn3nncc3C2)c1 ZINC000886452482 708762795 /nfs/dbraw/zinc/76/27/95/708762795.db2.gz DPOFOTCJJIWREQ-UHFFFAOYSA-N 1 2 303.322 1.471 20 5 DDBDLO Cc1nc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000931624798 714141533 /nfs/dbraw/zinc/14/15/33/714141533.db2.gz NQPBCGNQAZHYRK-LLVKDONJSA-N 1 2 316.365 1.905 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107312637 749766536 /nfs/dbraw/zinc/76/65/36/749766536.db2.gz RWZBLJHWGYIIRJ-UPHRSURJSA-N 1 2 315.333 1.645 20 5 DDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC001169012976 762178933 /nfs/dbraw/zinc/17/89/33/762178933.db2.gz SQAVCDIQOSTGFE-RKDXNWHRSA-N 1 2 319.287 1.558 20 5 DDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC001169012976 762178936 /nfs/dbraw/zinc/17/89/36/762178936.db2.gz SQAVCDIQOSTGFE-RKDXNWHRSA-N 1 2 319.287 1.558 20 5 DDBDLO CCCC(=O)N1CC2(C1)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC001072397525 770828894 /nfs/dbraw/zinc/82/88/94/770828894.db2.gz DDWBTWSOWFLBJG-UHFFFAOYSA-N 1 2 321.381 1.163 20 5 DDBDLO CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC001072397525 770828911 /nfs/dbraw/zinc/82/89/11/770828911.db2.gz DDWBTWSOWFLBJG-UHFFFAOYSA-N 1 2 321.381 1.163 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093829699 775113367 /nfs/dbraw/zinc/11/33/67/775113367.db2.gz VOKXYNRVIACGJJ-UHFFFAOYSA-N 1 2 307.285 1.228 20 5 DDBDLO O=C(Cc1c[nH]c[nH+]1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094150462 775491505 /nfs/dbraw/zinc/49/15/05/775491505.db2.gz IRQDSUGDVKKGFP-UHFFFAOYSA-N 1 2 307.285 1.228 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094224827 775594409 /nfs/dbraw/zinc/59/44/09/775594409.db2.gz CTJWDHXHKUKAFC-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094224827 775594413 /nfs/dbraw/zinc/59/44/13/775594413.db2.gz CTJWDHXHKUKAFC-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001177416374 778588771 /nfs/dbraw/zinc/58/87/71/778588771.db2.gz PAVLAJLPSBZRBV-UHFFFAOYSA-N 1 2 310.331 1.881 20 5 DDBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(Cn2cc[nH+]c2)c1 ZINC001177810473 778746392 /nfs/dbraw/zinc/74/63/92/778746392.db2.gz QXOBHTFYIVAVFD-UHFFFAOYSA-N 1 2 312.289 1.815 20 5 DDBDLO Cn1cnnc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001138135376 860014773 /nfs/dbraw/zinc/01/47/73/860014773.db2.gz SDNHFLPSVHXFEK-UHFFFAOYSA-N 1 2 313.277 1.161 20 5 DDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159294218 865208273 /nfs/dbraw/zinc/20/82/73/865208273.db2.gz YWJVJDQXUKQFFG-UHFFFAOYSA-N 1 2 313.317 1.844 20 5 DDBDLO Cc1nc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160734092 866085411 /nfs/dbraw/zinc/08/54/11/866085411.db2.gz YOJZVQDJENYIGJ-NWDGAFQWSA-N 1 2 307.354 1.358 20 5 DDBDLO CN1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OC1=O ZINC001324207031 867141583 /nfs/dbraw/zinc/14/15/83/867141583.db2.gz HNHGKGIMJKPPEH-AWEZNQCLSA-N 1 2 320.349 1.167 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001318997402 872389820 /nfs/dbraw/zinc/38/98/20/872389820.db2.gz NTISQHOVLWNINC-UHFFFAOYSA-N 1 2 311.363 1.053 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001349650208 875283838 /nfs/dbraw/zinc/28/38/38/875283838.db2.gz YMVSONRBUJFZML-UHFFFAOYSA-N 1 2 318.333 1.456 20 5 DDBDLO CCOC(=O)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603904 896526484 /nfs/dbraw/zinc/52/64/84/896526484.db2.gz RKUSKRAPCOZJIJ-HNNXBMFYSA-N 1 2 319.361 1.836 20 5 DDBDLO C[C@@H]1C[NH+](CCc2nnc(-c3[nH]cnc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258109345 898060743 /nfs/dbraw/zinc/06/07/43/898060743.db2.gz JIRCDNAKKLCUJS-RKDXNWHRSA-N 1 2 322.325 1.020 20 5 DDBDLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001263222279 900539528 /nfs/dbraw/zinc/53/95/28/900539528.db2.gz VFYHMGIQSGWKTP-UHFFFAOYSA-N 1 2 321.312 1.252 20 5 DDBDLO O=[N+]([O-])c1cccc2c1ccnc2NCC[NH+]1CCOCC1 ZINC000450213952 230696221 /nfs/dbraw/zinc/69/62/21/230696221.db2.gz WZXHWMPGQMELOG-UHFFFAOYSA-N 1 2 302.334 1.887 20 5 DDBDLO C[C@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451105082 231010306 /nfs/dbraw/zinc/01/03/06/231010306.db2.gz ILALEJDGXBYNCI-JQWIXIFHSA-N 1 2 316.317 1.376 20 5 DDBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000092842131 185345686 /nfs/dbraw/zinc/34/56/86/185345686.db2.gz ZBIMAJWHKAFBSL-CYBMUJFWSA-N 1 2 313.379 1.108 20 5 DDBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000092842131 185345687 /nfs/dbraw/zinc/34/56/87/185345687.db2.gz ZBIMAJWHKAFBSL-CYBMUJFWSA-N 1 2 313.379 1.108 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000457891244 232148371 /nfs/dbraw/zinc/14/83/71/232148371.db2.gz WJIXXUIQIKOQCI-UHFFFAOYSA-N 1 2 317.349 1.489 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264267303 186333441 /nfs/dbraw/zinc/33/34/41/186333441.db2.gz FLJJGPZXABYRGK-UHFFFAOYSA-N 1 2 304.306 1.414 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)on1 ZINC000027231568 352215401 /nfs/dbraw/zinc/21/54/01/352215401.db2.gz FGMMGWDBNYOGPG-UHFFFAOYSA-N 1 2 303.322 1.608 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000042511372 352341293 /nfs/dbraw/zinc/34/12/93/352341293.db2.gz GLVJNRUHAJNLMB-NSHDSACASA-N 1 2 304.306 1.375 20 5 DDBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000067523737 353054124 /nfs/dbraw/zinc/05/41/24/353054124.db2.gz ASJMZNUMIPDFKS-GWCFXTLKSA-N 1 2 304.281 1.293 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000331954922 234316737 /nfs/dbraw/zinc/31/67/37/234316737.db2.gz RHDVIWSYLGRRQD-UHFFFAOYSA-N 1 2 318.337 1.554 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000123844361 354033787 /nfs/dbraw/zinc/03/37/87/354033787.db2.gz TWBOGKYWUUXVGO-RISCZKNCSA-N 1 2 308.334 1.400 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000123844361 354033792 /nfs/dbraw/zinc/03/37/92/354033792.db2.gz TWBOGKYWUUXVGO-RISCZKNCSA-N 1 2 308.334 1.400 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1c[nH+]cn1C ZINC000290069594 354442530 /nfs/dbraw/zinc/44/25/30/354442530.db2.gz CLSOXRZJKKHLNC-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000318757530 354517150 /nfs/dbraw/zinc/51/71/50/354517150.db2.gz YMWUZWVGWOSQCB-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000318757530 354517151 /nfs/dbraw/zinc/51/71/51/354517151.db2.gz YMWUZWVGWOSQCB-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO Cc1cnc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000588070196 354899432 /nfs/dbraw/zinc/89/94/32/354899432.db2.gz OHZLNMWGSMELNQ-CHWSQXEVSA-N 1 2 306.366 1.598 20 5 DDBDLO Cc1c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000587061834 354880151 /nfs/dbraw/zinc/88/01/51/354880151.db2.gz IQHCJGZKQVHUHC-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@H]2C[C@@H]21 ZINC000590764931 355172166 /nfs/dbraw/zinc/17/21/66/355172166.db2.gz BUSGPKUPYYLNIA-UONOGXRCSA-N 1 2 314.301 1.394 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593686208 355967192 /nfs/dbraw/zinc/96/71/92/355967192.db2.gz KLWSGSKOXZUNGX-TZMCWYRMSA-N 1 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320.267 1.541 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000283980884 409252080 /nfs/dbraw/zinc/25/20/80/409252080.db2.gz HJVHWGRADARSSY-KBPBESRZSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000283980884 409252081 /nfs/dbraw/zinc/25/20/81/409252081.db2.gz HJVHWGRADARSSY-KBPBESRZSA-N 1 2 319.361 1.448 20 5 DDBDLO O=c1nc([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000289357062 409253602 /nfs/dbraw/zinc/25/36/02/409253602.db2.gz NRALBAHJFMLBGV-LBPRGKRZSA-N 1 2 303.322 1.733 20 5 DDBDLO O=c1nc([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000289357062 409253604 /nfs/dbraw/zinc/25/36/04/409253604.db2.gz NRALBAHJFMLBGV-LBPRGKRZSA-N 1 2 303.322 1.733 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284165506 409288490 /nfs/dbraw/zinc/28/84/90/409288490.db2.gz RGBIZRVBLYMUCG-CABCVRRESA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284165506 409288493 /nfs/dbraw/zinc/28/84/93/409288493.db2.gz RGBIZRVBLYMUCG-CABCVRRESA-N 1 2 319.361 1.448 20 5 DDBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000280406281 409307893 /nfs/dbraw/zinc/30/78/93/409307893.db2.gz YEYJSZIKKWWGKR-BLLLJJGKSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000280406281 409307895 /nfs/dbraw/zinc/30/78/95/409307895.db2.gz YEYJSZIKKWWGKR-BLLLJJGKSA-N 1 2 322.361 1.983 20 5 DDBDLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000284312741 409316919 /nfs/dbraw/zinc/31/69/19/409316919.db2.gz VUFFVMWZZXMZSG-QMMMGPOBSA-N 1 2 301.293 1.687 20 5 DDBDLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000284312741 409316921 /nfs/dbraw/zinc/31/69/21/409316921.db2.gz VUFFVMWZZXMZSG-QMMMGPOBSA-N 1 2 301.293 1.687 20 5 DDBDLO CCc1nnc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[nH]1 ZINC000296062150 409417114 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20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000331877548 409792080 /nfs/dbraw/zinc/79/20/80/409792080.db2.gz HZPRJGGMSSCHIM-IMJJTQAJSA-N 1 2 322.361 1.662 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000331877548 409792088 /nfs/dbraw/zinc/79/20/88/409792088.db2.gz HZPRJGGMSSCHIM-IMJJTQAJSA-N 1 2 322.361 1.662 20 5 DDBDLO CC(C)[C@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357526999 410086121 /nfs/dbraw/zinc/08/61/21/410086121.db2.gz FMUBBANQWFYCIV-MRXNPFEDSA-N 1 2 323.393 1.856 20 5 DDBDLO NC(=O)c1cccc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000357492292 410067355 /nfs/dbraw/zinc/06/73/55/410067355.db2.gz VGWBJUGMICDOFV-UHFFFAOYSA-N 1 2 311.301 1.954 20 5 DDBDLO C[C@@H]1C[N@H+](CCN2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000332585871 410184985 /nfs/dbraw/zinc/18/49/85/410184985.db2.gz HRAPPWSIXVKDJF-GFCCVEGCSA-N 1 2 306.366 1.069 20 5 DDBDLO C[C@@H]1C[N@@H+](CCN2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000332585871 410184990 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Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000355491612 410543442 /nfs/dbraw/zinc/54/34/42/410543442.db2.gz NKEJUQLJQWBFNL-LBPRGKRZSA-N 1 2 307.350 1.689 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000355491612 410543447 /nfs/dbraw/zinc/54/34/47/410543447.db2.gz NKEJUQLJQWBFNL-LBPRGKRZSA-N 1 2 307.350 1.689 20 5 DDBDLO Cn1[nH]c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1=O ZINC000347440539 410550548 /nfs/dbraw/zinc/55/05/48/410550548.db2.gz OKGPVGZCIRMEJL-UHFFFAOYSA-N 1 2 303.322 1.181 20 5 DDBDLO Cn1[nH]c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1=O ZINC000347440539 410550554 /nfs/dbraw/zinc/55/05/54/410550554.db2.gz OKGPVGZCIRMEJL-UHFFFAOYSA-N 1 2 303.322 1.181 20 5 DDBDLO CO[C@@H](C)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343787477 410700287 /nfs/dbraw/zinc/70/02/87/410700287.db2.gz QSUSJWIRHARSPA-ZDUSSCGKSA-N 1 2 323.393 1.898 20 5 DDBDLO NC(=O)c1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353033886 410749486 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302.290 1.456 20 5 DDBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000373034218 418923030 /nfs/dbraw/zinc/92/30/30/418923030.db2.gz YQTPPTROOLONNW-GTJPDFRWSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000373034218 418923032 /nfs/dbraw/zinc/92/30/32/418923032.db2.gz YQTPPTROOLONNW-GTJPDFRWSA-N 1 2 312.391 1.817 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420991411 419430516 /nfs/dbraw/zinc/43/05/16/419430516.db2.gz WMSICPOLJUUZNI-PWSUYJOCSA-N 1 2 320.349 1.132 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420991411 419430521 /nfs/dbraw/zinc/43/05/21/419430521.db2.gz WMSICPOLJUUZNI-PWSUYJOCSA-N 1 2 320.349 1.132 20 5 DDBDLO COCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299642842 229293517 /nfs/dbraw/zinc/29/35/17/229293517.db2.gz IXRUHNWXNHRBCD-NSHDSACASA-N 1 2 318.333 1.935 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000299660068 229309257 /nfs/dbraw/zinc/30/92/57/229309257.db2.gz QKALCMRYFGATJX-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1CN(C)CC[NH+]1CCOCC1 ZINC000430230603 420092980 /nfs/dbraw/zinc/09/29/80/420092980.db2.gz YSAZUMQKXSOPBO-UHFFFAOYSA-N 1 2 309.366 1.367 20 5 DDBDLO CO[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1OC ZINC000444691700 230120990 /nfs/dbraw/zinc/12/09/90/230120990.db2.gz KFEWGMXWHYZVDN-STQMWFEESA-N 1 2 306.322 1.317 20 5 DDBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000449647460 421044596 /nfs/dbraw/zinc/04/45/96/421044596.db2.gz DJNAEQXAWSCJMJ-QMMMGPOBSA-N 1 2 305.306 1.631 20 5 DDBDLO O=C(CCn1cc[nH+]c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487055638 420999572 /nfs/dbraw/zinc/99/95/72/420999572.db2.gz AWPOEICTBBSZDH-UHFFFAOYSA-N 1 2 318.337 1.242 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456364021 421151047 /nfs/dbraw/zinc/15/10/47/421151047.db2.gz XUQFUAWFPMPWEW-VIFPVBQESA-N 1 2 318.337 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O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000089302135 281019905 /nfs/dbraw/zinc/01/99/05/281019905.db2.gz CTIFLDIIXISGIU-CYBMUJFWSA-N 1 2 314.345 1.713 20 5 DDBDLO Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)[nH+]1 ZINC000121530695 281139973 /nfs/dbraw/zinc/13/99/73/281139973.db2.gz ILXHODUFSDOYJA-UHFFFAOYSA-N 1 2 302.290 1.407 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccccc1F ZINC000363099161 300210693 /nfs/dbraw/zinc/21/06/93/300210693.db2.gz LUSUQBOOHHPQAL-CYZMBNFOSA-N 1 2 318.308 1.430 20 5 DDBDLO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000287820300 300295165 /nfs/dbraw/zinc/29/51/65/300295165.db2.gz KVSUMVAPWHLQJX-SMDDNHRTSA-N 1 2 309.341 1.891 20 5 DDBDLO CCn1ccnc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369018152 301119923 /nfs/dbraw/zinc/11/99/23/301119923.db2.gz RNMAKXFVELJSTC-GFCCVEGCSA-N 1 2 304.354 1.845 20 5 DDBDLO CCn1ccnc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369018152 301119925 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DDBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000378398044 302321640 /nfs/dbraw/zinc/32/16/40/302321640.db2.gz GSEGRGPORSGCQA-OAHLLOKOSA-N 1 2 321.377 1.380 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396821774 302349949 /nfs/dbraw/zinc/34/99/49/302349949.db2.gz KODXUOINFMENIQ-TVQRCGJNSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396821774 302349950 /nfs/dbraw/zinc/34/99/50/302349950.db2.gz KODXUOINFMENIQ-TVQRCGJNSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H](O)C4(CC4)C3)n2)c1 ZINC000368800152 307110222 /nfs/dbraw/zinc/11/02/22/307110222.db2.gz LRSOLWFQSVUMGJ-GFCCVEGCSA-N 1 2 316.317 1.602 20 5 DDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)n2)c1 ZINC000368800152 307110223 /nfs/dbraw/zinc/11/02/23/307110223.db2.gz LRSOLWFQSVUMGJ-GFCCVEGCSA-N 1 2 316.317 1.602 20 5 DDBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000374049442 307200707 /nfs/dbraw/zinc/20/07/07/307200707.db2.gz IPIXHMSEUPGLSL-SNVBAGLBSA-N 1 2 306.326 1.399 20 5 DDBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000374049442 307200708 /nfs/dbraw/zinc/20/07/08/307200708.db2.gz IPIXHMSEUPGLSL-SNVBAGLBSA-N 1 2 306.326 1.399 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000544366067 307715800 /nfs/dbraw/zinc/71/58/00/307715800.db2.gz WHBOIDACFRRQOC-UHFFFAOYSA-N 1 2 304.306 1.066 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000565170806 308022631 /nfs/dbraw/zinc/02/26/31/308022631.db2.gz KGFCJNMHDQAXQA-HNNXBMFYSA-N 1 2 305.334 1.458 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000565170806 308022633 /nfs/dbraw/zinc/02/26/33/308022633.db2.gz KGFCJNMHDQAXQA-HNNXBMFYSA-N 1 2 305.334 1.458 20 5 DDBDLO COC(=O)/C(C)=C/C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000748815088 700136035 /nfs/dbraw/zinc/13/60/35/700136035.db2.gz JJDMTAVTNQEAFZ-LFYBBSHMSA-N 1 2 320.349 1.231 20 5 DDBDLO CO[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172901330 697372580 /nfs/dbraw/zinc/37/25/80/697372580.db2.gz FYSMHMYGUIUPTC-CYBMUJFWSA-N 1 2 317.349 1.922 20 5 DDBDLO CO[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172901330 697372582 /nfs/dbraw/zinc/37/25/82/697372582.db2.gz FYSMHMYGUIUPTC-CYBMUJFWSA-N 1 2 317.349 1.922 20 5 DDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000175350970 697396153 /nfs/dbraw/zinc/39/61/53/697396153.db2.gz LMACKHYURFFSJP-UHFFFAOYSA-N 1 2 319.277 1.507 20 5 DDBDLO CON(C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000773160693 697721613 /nfs/dbraw/zinc/72/16/13/697721613.db2.gz AXRMUKONCHYWJS-UHFFFAOYSA-N 1 2 319.321 1.004 20 5 DDBDLO Cc1cccc(N2CC[NH+](CC[S@](C)=O)CC2)c1[N+](=O)[O-] ZINC000782350750 698713324 /nfs/dbraw/zinc/71/33/24/698713324.db2.gz UBCWXPUIBASURP-NRFANRHFSA-N 1 2 311.407 1.404 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000784908058 699046042 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300035753 /nfs/dbraw/zinc/03/57/53/300035753.db2.gz RJIBCVNXYZRLID-LLVKDONJSA-N 1 2 323.349 1.653 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCCO)Cc1ccccc1 ZINC000362948287 300186303 /nfs/dbraw/zinc/18/63/03/300186303.db2.gz HBAWLWKYCKMJCK-UHFFFAOYSA-N 1 2 304.350 1.713 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCCO)Cc1ccccc1 ZINC000362948287 300186307 /nfs/dbraw/zinc/18/63/07/300186307.db2.gz HBAWLWKYCKMJCK-UHFFFAOYSA-N 1 2 304.350 1.713 20 5 DDBDLO O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368888451 301100667 /nfs/dbraw/zinc/10/06/67/301100667.db2.gz KWPOTRJWDVZRJI-NSHDSACASA-N 1 2 316.321 1.072 20 5 DDBDLO O=C(C[N@H+]1CC[C@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368888451 301100670 /nfs/dbraw/zinc/10/06/70/301100670.db2.gz KWPOTRJWDVZRJI-NSHDSACASA-N 1 2 316.321 1.072 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000375986968 302019407 /nfs/dbraw/zinc/01/94/07/302019407.db2.gz JARPFIFLTAGTIE-YPMHNXCESA-N 1 2 321.333 1.534 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000375986968 302019410 /nfs/dbraw/zinc/01/94/10/302019410.db2.gz JARPFIFLTAGTIE-YPMHNXCESA-N 1 2 321.333 1.534 20 5 DDBDLO COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000446000855 533814107 /nfs/dbraw/zinc/81/41/07/533814107.db2.gz FNYRTBMXJBRTCD-AWEZNQCLSA-N 1 2 321.377 1.950 20 5 DDBDLO COc1cc(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000446000855 533814114 /nfs/dbraw/zinc/81/41/14/533814114.db2.gz FNYRTBMXJBRTCD-AWEZNQCLSA-N 1 2 321.377 1.950 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](F)C1 ZINC000452363562 534685861 /nfs/dbraw/zinc/68/58/61/534685861.db2.gz AMDWYLPJEDFPIW-NSHDSACASA-N 1 2 304.281 1.965 20 5 DDBDLO CCN(C[C@H](C)O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451906504 528721617 /nfs/dbraw/zinc/72/16/17/528721617.db2.gz FJJGAIANSGISFD-NSHDSACASA-N 1 2 318.333 1.623 20 5 DDBDLO Cc1nn(C[NH+]2CCC(N3CCCC3=O)CC2)c(C)c1[N+](=O)[O-] ZINC000104656689 696620787 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318.337 1.134 20 5 DDBDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001095746621 855290748 /nfs/dbraw/zinc/29/07/48/855290748.db2.gz UUWLIONEBJAWDC-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO C[N@H+](CCCF)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001333333628 866642215 /nfs/dbraw/zinc/64/22/15/866642215.db2.gz MCKVQCFYIKDUDA-CQSZACIVSA-N 1 2 311.313 1.781 20 5 DDBDLO C[N@@H+](CCCF)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001333333628 866642231 /nfs/dbraw/zinc/64/22/31/866642231.db2.gz MCKVQCFYIKDUDA-CQSZACIVSA-N 1 2 311.313 1.781 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001333722912 866962762 /nfs/dbraw/zinc/96/27/62/866962762.db2.gz HNPVHUZOKXVXSE-UHFFFAOYSA-N 1 2 319.340 1.790 20 5 DDBDLO COC(=O)c1cc(NC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001162689370 867733832 /nfs/dbraw/zinc/73/38/32/867733832.db2.gz DYAUGDIHNMMJCN-CYBMUJFWSA-N 1 2 309.322 1.124 20 5 DDBDLO COC(=O)c1cc(NC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001162689370 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321.381 1.351 20 5 DDBDLO C[C@@H](OCC[NH+]1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001210206348 875267233 /nfs/dbraw/zinc/26/72/33/875267233.db2.gz CMZLPBPXMVEOSP-LLVKDONJSA-N 1 2 324.333 1.733 20 5 DDBDLO O=[N+]([O-])C[C@H](OCC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC001210224572 875277300 /nfs/dbraw/zinc/27/73/00/875277300.db2.gz BLPNCVCKEPGWGU-HNNXBMFYSA-N 1 2 324.333 1.082 20 5 DDBDLO CCOC(=O)c1ccc(O[C@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218232474 877431682 /nfs/dbraw/zinc/43/16/82/877431682.db2.gz CIVRNDIHLSFVLX-NSHDSACASA-N 1 2 316.260 1.757 20 5 DDBDLO Nc1ccc2n(C(=O)[C@@H]3COCC[NH2+]3)c3ccccc3cc-2c1=O ZINC001219256951 878066071 /nfs/dbraw/zinc/06/60/71/878066071.db2.gz YRMASKSBAUHQJQ-AWEZNQCLSA-N 1 2 323.352 1.317 20 5 DDBDLO COC(=O)c1c(O[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC001229044174 883789376 /nfs/dbraw/zinc/78/93/76/883789376.db2.gz FACSBPGVNZFPNF-NSHDSACASA-N 1 2 324.333 1.481 20 5 DDBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)N(C)C)CC1 ZINC001254550386 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Cn1c[nH+]cc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291079339 354445944 /nfs/dbraw/zinc/44/59/44/354445944.db2.gz HYMZOZHUGRDLPV-UHFFFAOYSA-N 1 2 315.333 1.833 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000321104752 354530713 /nfs/dbraw/zinc/53/07/13/354530713.db2.gz IPMGWONOXFHWJR-VIFPVBQESA-N 1 2 314.305 1.941 20 5 DDBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000318925440 354518336 /nfs/dbraw/zinc/51/83/36/354518336.db2.gz NYVXLRNXBGJDLU-LBPRGKRZSA-N 1 2 310.354 1.517 20 5 DDBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000318925440 354518339 /nfs/dbraw/zinc/51/83/39/354518339.db2.gz NYVXLRNXBGJDLU-LBPRGKRZSA-N 1 2 310.354 1.517 20 5 DDBDLO Cc1c(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000587036254 354879456 /nfs/dbraw/zinc/87/94/56/354879456.db2.gz RXOHAPWULLSEKB-CYBMUJFWSA-N 1 2 314.345 1.773 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000589502070 354997171 /nfs/dbraw/zinc/99/71/71/354997171.db2.gz JTBRWBJQMGPZIY-LLVKDONJSA-N 1 2 308.334 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCOC[C@H]2C)c1 ZINC000589502070 354997175 /nfs/dbraw/zinc/99/71/75/354997175.db2.gz JTBRWBJQMGPZIY-LLVKDONJSA-N 1 2 308.334 1.992 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593015342 355770109 /nfs/dbraw/zinc/77/01/09/355770109.db2.gz SWUQEIGNBZOUNO-UHFFFAOYSA-N 1 2 306.297 1.669 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[NH+]1CCOCC1 ZINC000593459977 355891485 /nfs/dbraw/zinc/89/14/85/355891485.db2.gz YCCYVYMGOLJYSO-UHFFFAOYSA-N 1 2 302.334 1.887 20 5 DDBDLO CC1(C)C[NH+](CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000594360239 356182613 /nfs/dbraw/zinc/18/26/13/356182613.db2.gz JLEHVZSJXHWNJR-UHFFFAOYSA-N 1 2 319.361 1.658 20 5 DDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595348124 356458378 /nfs/dbraw/zinc/45/83/78/356458378.db2.gz ZVPDUNOZVOTDCG-UHFFFAOYSA-N 1 2 324.356 1.115 20 5 DDBDLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000595625046 356582371 /nfs/dbraw/zinc/58/23/71/356582371.db2.gz JRUIWEXCUGZLBT-INIZCTEOSA-N 1 2 319.361 1.695 20 5 DDBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000595625046 356582372 /nfs/dbraw/zinc/58/23/72/356582372.db2.gz JRUIWEXCUGZLBT-INIZCTEOSA-N 1 2 319.361 1.695 20 5 DDBDLO O=C1CC[C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728758 356625429 /nfs/dbraw/zinc/62/54/29/356625429.db2.gz OKLVFHUKOCZNGK-GXFFZTMASA-N 1 2 305.334 1.401 20 5 DDBDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728758 356625432 /nfs/dbraw/zinc/62/54/32/356625432.db2.gz OKLVFHUKOCZNGK-GXFFZTMASA-N 1 2 305.334 1.401 20 5 DDBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])nn3C)cn2c1 ZINC000358778368 299251965 /nfs/dbraw/zinc/25/19/65/299251965.db2.gz JCSFQSJTVAIRBG-UHFFFAOYSA-N 1 2 314.305 1.214 20 5 DDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597305659 357129515 /nfs/dbraw/zinc/12/95/15/357129515.db2.gz KTCPAGSSTPABBT-GFCCVEGCSA-N 1 2 314.345 1.782 20 5 DDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597305659 357129516 /nfs/dbraw/zinc/12/95/16/357129516.db2.gz KTCPAGSSTPABBT-GFCCVEGCSA-N 1 2 314.345 1.782 20 5 DDBDLO Cc1c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000597996298 357412173 /nfs/dbraw/zinc/41/21/73/357412173.db2.gz IKXQDCCEFJUUEL-NWDGAFQWSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000597996298 357412177 /nfs/dbraw/zinc/41/21/77/357412177.db2.gz IKXQDCCEFJUUEL-NWDGAFQWSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597998757 357414256 /nfs/dbraw/zinc/41/42/56/357414256.db2.gz QMJXMWMNAGHPMY-NEPJUHHUSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597998757 357414258 /nfs/dbraw/zinc/41/42/58/357414258.db2.gz QMJXMWMNAGHPMY-NEPJUHHUSA-N 1 2 307.350 1.434 20 5 DDBDLO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@H+](CC)C1 ZINC000598038658 357437664 /nfs/dbraw/zinc/43/76/64/357437664.db2.gz FXDUOKKFRMNXOW-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038658 357437672 /nfs/dbraw/zinc/43/76/72/357437672.db2.gz FXDUOKKFRMNXOW-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459734 357591223 /nfs/dbraw/zinc/59/12/23/357591223.db2.gz LFFPUKSRCZDMMT-SNVBAGLBSA-N 1 2 303.322 1.618 20 5 DDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598946401 357769453 /nfs/dbraw/zinc/76/94/53/357769453.db2.gz FJQKXSQJEOBZKA-MRVPVSSYSA-N 1 2 322.271 1.353 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599159471 357832423 /nfs/dbraw/zinc/83/24/23/357832423.db2.gz BWZUPBMYHPONGB-LBPRGKRZSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599159471 357832426 /nfs/dbraw/zinc/83/24/26/357832426.db2.gz BWZUPBMYHPONGB-LBPRGKRZSA-N 1 2 302.334 1.886 20 5 DDBDLO Cc1c[nH]c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000600172392 358146133 /nfs/dbraw/zinc/14/61/33/358146133.db2.gz GXNZCMHCIWYYJP-UHFFFAOYSA-N 1 2 302.338 1.344 20 5 DDBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788769 359193342 /nfs/dbraw/zinc/19/33/42/359193342.db2.gz RAGQLZFOZSOCGO-CYBMUJFWSA-N 1 2 304.354 1.707 20 5 DDBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788769 359193345 /nfs/dbraw/zinc/19/33/45/359193345.db2.gz RAGQLZFOZSOCGO-CYBMUJFWSA-N 1 2 304.354 1.707 20 5 DDBDLO COc1ncccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602730690 359154442 /nfs/dbraw/zinc/15/44/42/359154442.db2.gz FPCKKRFSVUZTQN-MRXNPFEDSA-N 1 2 317.345 1.996 20 5 DDBDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602900091 359281015 /nfs/dbraw/zinc/28/10/15/359281015.db2.gz RZWFVLOPIIKARB-HNNXBMFYSA-N 1 2 323.349 1.537 20 5 DDBDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602900091 359281022 /nfs/dbraw/zinc/28/10/22/359281022.db2.gz RZWFVLOPIIKARB-HNNXBMFYSA-N 1 2 323.349 1.537 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186872385 200025229 /nfs/dbraw/zinc/02/52/29/200025229.db2.gz MSDRBGCKADGZBC-RISCZKNCSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186872385 200025231 /nfs/dbraw/zinc/02/52/31/200025231.db2.gz MSDRBGCKADGZBC-RISCZKNCSA-N 1 2 307.350 1.544 20 5 DDBDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610604319 360480397 /nfs/dbraw/zinc/48/03/97/360480397.db2.gz MKZNNYNIKHTVFA-UHFFFAOYSA-N 1 2 313.379 1.062 20 5 DDBDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610604319 360480400 /nfs/dbraw/zinc/48/04/00/360480400.db2.gz MKZNNYNIKHTVFA-UHFFFAOYSA-N 1 2 313.379 1.062 20 5 DDBDLO CCN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030667 360895432 /nfs/dbraw/zinc/89/54/32/360895432.db2.gz WIWJMUGNOLWRJS-KBPBESRZSA-N 1 2 323.393 1.361 20 5 DDBDLO CCN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030667 360895436 /nfs/dbraw/zinc/89/54/36/360895436.db2.gz WIWJMUGNOLWRJS-KBPBESRZSA-N 1 2 323.393 1.361 20 5 DDBDLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000292675741 223196667 /nfs/dbraw/zinc/19/66/67/223196667.db2.gz QRJCNLGQVCOMNS-UHFFFAOYSA-N 1 2 310.329 1.276 20 5 DDBDLO Cc1cc(NCCC[N@H+]2CCNC(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000292675741 223196670 /nfs/dbraw/zinc/19/66/70/223196670.db2.gz QRJCNLGQVCOMNS-UHFFFAOYSA-N 1 2 310.329 1.276 20 5 DDBDLO C[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000618965213 363820668 /nfs/dbraw/zinc/82/06/68/363820668.db2.gz VIYABGPCEPAYNY-UHFFFAOYSA-N 1 2 313.354 1.600 20 5 DDBDLO O=C1NC[C@@H]2C[N@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000091864171 193120240 /nfs/dbraw/zinc/12/02/40/193120240.db2.gz JCAUDTIQERJKEX-MASHWEEQSA-N 1 2 302.334 1.317 20 5 DDBDLO O=C1NC[C@@H]2C[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000091864171 193120241 /nfs/dbraw/zinc/12/02/41/193120241.db2.gz JCAUDTIQERJKEX-MASHWEEQSA-N 1 2 302.334 1.317 20 5 DDBDLO CC(C)OCC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000349248699 283882528 /nfs/dbraw/zinc/88/25/28/283882528.db2.gz AQCLJLSUCXEOTP-CQSZACIVSA-N 1 2 324.377 1.834 20 5 DDBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000264942696 204287826 /nfs/dbraw/zinc/28/78/26/204287826.db2.gz IWFBIGHNNZLJIW-GHMZBOCLSA-N 1 2 300.380 1.848 20 5 DDBDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000264942696 204287828 /nfs/dbraw/zinc/28/78/28/204287828.db2.gz IWFBIGHNNZLJIW-GHMZBOCLSA-N 1 2 300.380 1.848 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000336860034 249267767 /nfs/dbraw/zinc/26/77/67/249267767.db2.gz MZABQCJWRIVFBY-CYBMUJFWSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000336860034 249267768 /nfs/dbraw/zinc/26/77/68/249267768.db2.gz MZABQCJWRIVFBY-CYBMUJFWSA-N 1 2 310.350 1.575 20 5 DDBDLO CC(C)(C)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(N)=O ZINC000285113786 218295332 /nfs/dbraw/zinc/29/53/32/218295332.db2.gz ADIVAOQMACIMLK-NSHDSACASA-N 1 2 301.293 1.863 20 5 DDBDLO CC(C)[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000352130338 284809199 /nfs/dbraw/zinc/80/91/99/284809199.db2.gz YKMLKFGFBVFWJE-GFCCVEGCSA-N 1 2 306.326 1.418 20 5 DDBDLO CCNC(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109746412 194281839 /nfs/dbraw/zinc/28/18/39/194281839.db2.gz JZOSHCRISSAQBY-UHFFFAOYSA-N 1 2 322.365 1.321 20 5 DDBDLO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158018655 197235976 /nfs/dbraw/zinc/23/59/76/197235976.db2.gz GHMCDFNLTWMIHI-GWCFXTLKSA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158018655 197235978 /nfs/dbraw/zinc/23/59/78/197235978.db2.gz GHMCDFNLTWMIHI-GWCFXTLKSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000120327033 195143878 /nfs/dbraw/zinc/14/38/78/195143878.db2.gz YXKNRNJKADXUEX-LBPRGKRZSA-N 1 2 312.370 1.747 20 5 DDBDLO Cc1cn[nH]c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289549388 221059408 /nfs/dbraw/zinc/05/94/08/221059408.db2.gz QAHYHDFPWVLKCP-UHFFFAOYSA-N 1 2 324.362 1.190 20 5 DDBDLO Cc1c[nH]nc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289549388 221059410 /nfs/dbraw/zinc/05/94/10/221059410.db2.gz QAHYHDFPWVLKCP-UHFFFAOYSA-N 1 2 324.362 1.190 20 5 DDBDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ncccc2[N+](=O)[O-])CC1 ZINC000127877526 195917413 /nfs/dbraw/zinc/91/74/13/195917413.db2.gz OAXYTPYILDVKJF-NSHDSACASA-N 1 2 324.406 1.635 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069865252 406780775 /nfs/dbraw/zinc/78/07/75/406780775.db2.gz SFPNWWSTOVRICF-NSHDSACASA-N 1 2 316.379 1.339 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069865252 406780779 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Cc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC001175323810 777750746 /nfs/dbraw/zinc/75/07/46/777750746.db2.gz PZWLVHKRCXHPSR-INIZCTEOSA-N 1 2 316.361 1.999 20 5 DDBDLO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1cc[nH+]c1 ZINC001116791172 780559331 /nfs/dbraw/zinc/55/93/31/780559331.db2.gz VWUQWCFSXZBHER-VIFPVBQESA-N 1 2 314.305 1.545 20 5 DDBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC001327131127 861918219 /nfs/dbraw/zinc/91/82/19/861918219.db2.gz SYUVOKNIAOEMBZ-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001321228001 867418455 /nfs/dbraw/zinc/41/84/55/867418455.db2.gz BQOBJYQRLKPRIP-UHFFFAOYSA-N 1 2 324.429 1.558 20 5 DDBDLO Cc1cncc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001322529023 868226578 /nfs/dbraw/zinc/22/65/78/868226578.db2.gz SHLGLYHCGBNOQH-CHWSQXEVSA-N 1 2 306.366 1.598 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C[NH2+]1 ZINC001164304908 869107472 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1 2 300.278 1.204 20 5 DDBDLO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000157490541 527414436 /nfs/dbraw/zinc/41/44/36/527414436.db2.gz XOWFBLDYJQRTNN-UHFFFAOYSA-N 1 2 316.365 1.004 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000157490541 527414440 /nfs/dbraw/zinc/41/44/40/527414440.db2.gz XOWFBLDYJQRTNN-UHFFFAOYSA-N 1 2 316.365 1.004 20 5 DDBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000825961722 608533071 /nfs/dbraw/zinc/53/30/71/608533071.db2.gz LVLOWPONTMURAT-UHFFFAOYSA-N 1 2 314.305 2.000 20 5 DDBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000825961722 608533072 /nfs/dbraw/zinc/53/30/72/608533072.db2.gz LVLOWPONTMURAT-UHFFFAOYSA-N 1 2 314.305 2.000 20 5 DDBDLO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050901527 696235018 /nfs/dbraw/zinc/23/50/18/696235018.db2.gz BRYQDVGYPABTGV-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050901527 696235020 /nfs/dbraw/zinc/23/50/20/696235020.db2.gz BRYQDVGYPABTGV-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO C[N@H+](Cc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430661 697510004 /nfs/dbraw/zinc/51/00/04/697510004.db2.gz HMOXFPUZEQRWSJ-VXGBXAGGSA-N 1 2 324.406 1.231 20 5 DDBDLO C[N@@H+](Cc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430661 697510005 /nfs/dbraw/zinc/51/00/05/697510005.db2.gz HMOXFPUZEQRWSJ-VXGBXAGGSA-N 1 2 324.406 1.231 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(CO)C2)ccc1Cl ZINC000314487057 698689960 /nfs/dbraw/zinc/68/99/60/698689960.db2.gz WXPLWSDLSUZQCB-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(CO)C2)ccc1Cl ZINC000314487057 698689963 /nfs/dbraw/zinc/68/99/63/698689963.db2.gz WXPLWSDLSUZQCB-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO COc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788084090 699276489 /nfs/dbraw/zinc/27/64/89/699276489.db2.gz QIVHZWMYHLLRQP-LLVKDONJSA-N 1 2 312.297 1.804 20 5 DDBDLO COc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788084090 699276492 /nfs/dbraw/zinc/27/64/92/699276492.db2.gz QIVHZWMYHLLRQP-LLVKDONJSA-N 1 2 312.297 1.804 20 5 DDBDLO CCCN1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000788278601 699296333 /nfs/dbraw/zinc/29/63/33/699296333.db2.gz HCXUTTVSODOKFH-OAHLLOKOSA-N 1 2 321.377 1.573 20 5 DDBDLO CCCN1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000788278601 699296334 /nfs/dbraw/zinc/29/63/34/699296334.db2.gz HCXUTTVSODOKFH-OAHLLOKOSA-N 1 2 321.377 1.573 20 5 DDBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000795497450 699872088 /nfs/dbraw/zinc/87/20/88/699872088.db2.gz CQBMFPHQEIXJDS-SNVBAGLBSA-N 1 2 306.326 1.359 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801822617 700342316 /nfs/dbraw/zinc/34/23/16/700342316.db2.gz SIJOGVULMSSCML-MRVPVSSYSA-N 1 2 307.285 1.331 20 5 DDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000770725854 701292147 /nfs/dbraw/zinc/29/21/47/701292147.db2.gz BJPZCDMOJYQLGU-RNCFNFMXSA-N 1 2 311.313 1.183 20 5 DDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000770725854 701292149 /nfs/dbraw/zinc/29/21/49/701292149.db2.gz BJPZCDMOJYQLGU-RNCFNFMXSA-N 1 2 311.313 1.183 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000811589269 702014386 /nfs/dbraw/zinc/01/43/86/702014386.db2.gz OTRWNLYECKQCOF-UHFFFAOYSA-N 1 2 310.260 1.737 20 5 DDBDLO Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000812455876 702183477 /nfs/dbraw/zinc/18/34/77/702183477.db2.gz WIVHQOCSUVBGGV-UHFFFAOYSA-N 1 2 310.329 1.040 20 5 DDBDLO Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000812455876 702183482 /nfs/dbraw/zinc/18/34/82/702183482.db2.gz WIVHQOCSUVBGGV-UHFFFAOYSA-N 1 2 310.329 1.040 20 5 DDBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000842622748 702744467 /nfs/dbraw/zinc/74/44/67/702744467.db2.gz JKQPQXBPCSOMQT-OAHLLOKOSA-N 1 2 302.334 1.515 20 5 DDBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000842622748 702744469 /nfs/dbraw/zinc/74/44/69/702744469.db2.gz JKQPQXBPCSOMQT-OAHLLOKOSA-N 1 2 302.334 1.515 20 5 DDBDLO CC[NH2+]Cc1noc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000843143635 702828064 /nfs/dbraw/zinc/82/80/64/702828064.db2.gz IJAREQANJIWAIW-UHFFFAOYSA-N 1 2 302.294 1.485 20 5 DDBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844400750 703026497 /nfs/dbraw/zinc/02/64/97/703026497.db2.gz AYTRAFUWISENPS-VXGBXAGGSA-N 1 2 300.742 1.830 20 5 DDBDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844400750 703026499 /nfs/dbraw/zinc/02/64/99/703026499.db2.gz AYTRAFUWISENPS-VXGBXAGGSA-N 1 2 300.742 1.830 20 5 DDBDLO COC(=O)N(C)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000852570942 704077941 /nfs/dbraw/zinc/07/79/41/704077941.db2.gz QYAQRPLYRCOWLG-UHFFFAOYSA-N 1 2 322.321 1.866 20 5 DDBDLO COC(=O)N(C)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000852570942 704077943 /nfs/dbraw/zinc/07/79/43/704077943.db2.gz QYAQRPLYRCOWLG-UHFFFAOYSA-N 1 2 322.321 1.866 20 5 DDBDLO C[N@H+](C[C@H]1CCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497002 704250522 /nfs/dbraw/zinc/25/05/22/704250522.db2.gz NQWBNRWQEUNEMW-GFCCVEGCSA-N 1 2 317.349 1.922 20 5 DDBDLO C[N@@H+](C[C@H]1CCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497002 704250525 /nfs/dbraw/zinc/25/05/25/704250525.db2.gz NQWBNRWQEUNEMW-GFCCVEGCSA-N 1 2 317.349 1.922 20 5 DDBDLO C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCCO1 ZINC000853498809 704251111 /nfs/dbraw/zinc/25/11/11/704251111.db2.gz MRGLRONPJMEOAE-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCCO1 ZINC000853498809 704251112 /nfs/dbraw/zinc/25/11/12/704251112.db2.gz MRGLRONPJMEOAE-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000857962044 704650931 /nfs/dbraw/zinc/65/09/31/704650931.db2.gz HOFKQSDRDRXSGJ-JTQLQIEISA-N 1 2 304.281 1.675 20 5 DDBDLO COc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857985637 704655937 /nfs/dbraw/zinc/65/59/37/704655937.db2.gz QDICTFLXQIKZON-NSHDSACASA-N 1 2 316.317 1.604 20 5 DDBDLO Cc1nn(CCC(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)c1[N+](=O)[O-] ZINC000857986468 704656476 /nfs/dbraw/zinc/65/64/76/704656476.db2.gz VREDCTRCWBVBKC-LLVKDONJSA-N 1 2 318.337 1.256 20 5 DDBDLO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827267590 705964274 /nfs/dbraw/zinc/96/42/74/705964274.db2.gz NRYAKBXMZHIGDT-MFKMUULPSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827267590 705964277 /nfs/dbraw/zinc/96/42/77/705964277.db2.gz NRYAKBXMZHIGDT-MFKMUULPSA-N 1 2 305.334 1.467 20 5 DDBDLO CC1(C)OCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CO1 ZINC000877338556 706069339 /nfs/dbraw/zinc/06/93/39/706069339.db2.gz HKIFSRSJBLUSSO-UHFFFAOYSA-N 1 2 307.306 1.977 20 5 DDBDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000865028382 706328953 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COCC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075638656 353373420 /nfs/dbraw/zinc/37/34/20/353373420.db2.gz IIIFFZGDFFRSMD-GFCCVEGCSA-N 1 2 307.350 1.446 20 5 DDBDLO O=C(C1CC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076582099 353427464 /nfs/dbraw/zinc/42/74/64/353427464.db2.gz WNKPXIBUFQEJTK-UHFFFAOYSA-N 1 2 303.362 1.692 20 5 DDBDLO CCOC(=O)C(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132987937 354107670 /nfs/dbraw/zinc/10/76/70/354107670.db2.gz OEZKRCKVKRWOBY-UHFFFAOYSA-N 1 2 311.338 1.030 20 5 DDBDLO CCOC(=O)C(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132987937 354107673 /nfs/dbraw/zinc/10/76/73/354107673.db2.gz OEZKRCKVKRWOBY-UHFFFAOYSA-N 1 2 311.338 1.030 20 5 DDBDLO CC(=O)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000587999807 354890947 /nfs/dbraw/zinc/89/09/47/354890947.db2.gz RSLXSZDGOKWIPF-HUUCEWRRSA-N 1 2 305.334 1.317 20 5 DDBDLO CC(=O)c1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000587999807 354890950 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Cc1nc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000304289380 409597315 /nfs/dbraw/zinc/59/73/15/409597315.db2.gz BSSLAZBACDCQRX-GFCCVEGCSA-N 1 2 311.367 1.049 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000338669756 410035095 /nfs/dbraw/zinc/03/50/95/410035095.db2.gz QFWBFKXJFPLWHR-UHFFFAOYSA-N 1 2 317.349 1.649 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351751233 410207041 /nfs/dbraw/zinc/20/70/41/410207041.db2.gz AENXLHQZHGHKGN-YGRLFVJLSA-N 1 2 323.349 1.245 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351751233 410207043 /nfs/dbraw/zinc/20/70/43/410207043.db2.gz AENXLHQZHGHKGN-YGRLFVJLSA-N 1 2 323.349 1.245 20 5 DDBDLO Cn1c[nH+]cc1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000352161007 410516657 /nfs/dbraw/zinc/51/66/57/410516657.db2.gz SABANMPLXAVBFB-UHFFFAOYSA-N 1 2 300.274 1.167 20 5 DDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330458971 410709178 /nfs/dbraw/zinc/70/91/78/410709178.db2.gz SLCURUQMLOULEQ-UHFFFAOYSA-N 1 2 322.365 1.732 20 5 DDBDLO Cc1noc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000337258814 410677103 /nfs/dbraw/zinc/67/71/03/410677103.db2.gz ORYPIGVLPIZCQT-UHFFFAOYSA-N 1 2 317.349 1.604 20 5 DDBDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337402276 410758566 /nfs/dbraw/zinc/75/85/66/410758566.db2.gz HVWCQKNZMNIWDM-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337402276 410758570 /nfs/dbraw/zinc/75/85/70/410758570.db2.gz HVWCQKNZMNIWDM-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO COc1cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000348271585 410886550 /nfs/dbraw/zinc/88/65/50/410886550.db2.gz GRBSQWKQBHOYHT-MLGOLLRUSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1cc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000348271585 410886553 /nfs/dbraw/zinc/88/65/53/410886553.db2.gz GRBSQWKQBHOYHT-MLGOLLRUSA-N 1 2 322.361 1.983 20 5 DDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331343031 411068753 /nfs/dbraw/zinc/06/87/53/411068753.db2.gz KXWCSIUHXQZYHF-UHFFFAOYSA-N 1 2 307.350 1.435 20 5 DDBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000367849895 418647400 /nfs/dbraw/zinc/64/74/00/418647400.db2.gz NOOXWBBOSWYXLT-KGLIPLIRSA-N 1 2 305.334 1.705 20 5 DDBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000367849895 418647402 /nfs/dbraw/zinc/64/74/02/418647402.db2.gz NOOXWBBOSWYXLT-KGLIPLIRSA-N 1 2 305.334 1.705 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000428004915 419786461 /nfs/dbraw/zinc/78/64/61/419786461.db2.gz INRAQIPLSMAOJR-LBPRGKRZSA-N 1 2 300.318 1.465 20 5 DDBDLO Cc1c(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000427993785 419782840 /nfs/dbraw/zinc/78/28/40/419782840.db2.gz PPGAGQNUENKDIA-ZDUSSCGKSA-N 1 2 314.345 1.773 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428365353 419853419 /nfs/dbraw/zinc/85/34/19/419853419.db2.gz VAXDWVRVEFBAAK-VIFPVBQESA-N 1 2 301.306 1.118 20 5 DDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299677132 229325775 /nfs/dbraw/zinc/32/57/75/229325775.db2.gz QVGSDVPVWLGMJG-LLVKDONJSA-N 1 2 304.310 1.268 20 5 DDBDLO CNc1nc(C(=O)NCc2c[nH+]c(C)cc2C)ccc1[N+](=O)[O-] ZINC000456832237 420552116 /nfs/dbraw/zinc/55/21/16/420552116.db2.gz WVBLNTDKTLSKPB-UHFFFAOYSA-N 1 2 315.333 1.973 20 5 DDBDLO Cc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000456999717 420583916 /nfs/dbraw/zinc/58/39/16/420583916.db2.gz TZFMPFHETRXMKR-LBPRGKRZSA-N 1 2 315.333 1.413 20 5 DDBDLO Cc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000456999717 420583921 /nfs/dbraw/zinc/58/39/21/420583921.db2.gz TZFMPFHETRXMKR-LBPRGKRZSA-N 1 2 315.333 1.413 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(C)C ZINC000452853719 420671319 /nfs/dbraw/zinc/67/13/19/420671319.db2.gz VBJCWXWEMHCDHX-NSHDSACASA-N 1 2 303.322 1.880 20 5 DDBDLO CCC[C@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472334811 420962809 /nfs/dbraw/zinc/96/28/09/420962809.db2.gz ADXYLGYKPMUHTM-AWEZNQCLSA-N 1 2 323.393 2.000 20 5 DDBDLO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000449573400 421028395 /nfs/dbraw/zinc/02/83/95/421028395.db2.gz SBOMKOUHMNYBBS-ZYHUDNBSSA-N 1 2 318.276 1.388 20 5 DDBDLO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000449573400 421028398 /nfs/dbraw/zinc/02/83/98/421028398.db2.gz SBOMKOUHMNYBBS-ZYHUDNBSSA-N 1 2 318.276 1.388 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522288627 421823070 /nfs/dbraw/zinc/82/30/70/421823070.db2.gz JWNWIYMFZJOUJT-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522288627 421823071 /nfs/dbraw/zinc/82/30/71/421823071.db2.gz JWNWIYMFZJOUJT-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000342368828 271392933 /nfs/dbraw/zinc/39/29/33/271392933.db2.gz IKUQLWWMROBLGN-VIFPVBQESA-N 1 2 319.321 1.239 20 5 DDBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000342368828 271392936 /nfs/dbraw/zinc/39/29/36/271392936.db2.gz IKUQLWWMROBLGN-VIFPVBQESA-N 1 2 319.321 1.239 20 5 DDBDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000345432031 272249523 /nfs/dbraw/zinc/24/95/23/272249523.db2.gz PPJFWJRFRMADGI-GHMZBOCLSA-N 1 2 310.354 1.104 20 5 DDBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000347704165 272741493 /nfs/dbraw/zinc/74/14/93/272741493.db2.gz RJSNSZQVGPAACR-UHFFFAOYSA-N 1 2 306.326 1.111 20 5 DDBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000362276585 300041759 /nfs/dbraw/zinc/04/17/59/300041759.db2.gz CUPSXDBUDQJETG-YPMHNXCESA-N 1 2 310.350 1.575 20 5 DDBDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000362276585 300041761 /nfs/dbraw/zinc/04/17/61/300041761.db2.gz CUPSXDBUDQJETG-YPMHNXCESA-N 1 2 310.350 1.575 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366070498 300639085 /nfs/dbraw/zinc/63/90/85/300639085.db2.gz BVTXCWFPHZPFTN-CQSZACIVSA-N 1 2 319.361 1.450 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCCn2cc[nH+]c2)c1F ZINC000411401289 302375139 /nfs/dbraw/zinc/37/51/39/302375139.db2.gz MNTRCZGCOXUGDZ-UHFFFAOYSA-N 1 2 322.296 1.298 20 5 DDBDLO COc1ccc(CNC(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000357645740 306902067 /nfs/dbraw/zinc/90/20/67/306902067.db2.gz COKWKNGDDRIXDP-UHFFFAOYSA-N 1 2 319.321 1.336 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000549392930 303611215 /nfs/dbraw/zinc/61/12/15/303611215.db2.gz FDRLPYLWNGHLRJ-UHFFFAOYSA-N 1 2 318.333 1.700 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000555302228 303715433 /nfs/dbraw/zinc/71/54/33/303715433.db2.gz VGHHTMHBODHSNV-CYBMUJFWSA-N 1 2 316.317 1.622 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363938469 307038076 /nfs/dbraw/zinc/03/80/76/307038076.db2.gz ODZNXQADJIMCEF-AWEZNQCLSA-N 1 2 319.361 1.450 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000372564436 307170891 /nfs/dbraw/zinc/17/08/91/307170891.db2.gz VZBQEHXLCIJNDN-NSHDSACASA-N 1 2 318.308 1.984 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H](O)C4(CC4)C3)n2)cc1 ZINC000375314146 307221710 /nfs/dbraw/zinc/22/17/10/307221710.db2.gz KXGSPUJGEMHCAM-GFCCVEGCSA-N 1 2 316.317 1.602 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)n2)cc1 ZINC000375314146 307221711 /nfs/dbraw/zinc/22/17/11/307221711.db2.gz KXGSPUJGEMHCAM-GFCCVEGCSA-N 1 2 316.317 1.602 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)CO)CC1 ZINC000305808764 534349443 /nfs/dbraw/zinc/34/94/43/534349443.db2.gz HDOKFMRYHUHACK-LBPRGKRZSA-N 1 2 307.350 1.101 20 5 DDBDLO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154808237 525679924 /nfs/dbraw/zinc/67/99/24/525679924.db2.gz KTBQICJHUCRKPN-DTWKUNHWSA-N 1 2 311.367 1.435 20 5 DDBDLO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154808237 525679932 /nfs/dbraw/zinc/67/99/32/525679932.db2.gz KTBQICJHUCRKPN-DTWKUNHWSA-N 1 2 311.367 1.435 20 5 DDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@](O)(CO)C3)c2c1 ZINC000413391082 534884885 /nfs/dbraw/zinc/88/48/85/534884885.db2.gz AJFNEUOBXXQBRE-HNNXBMFYSA-N 1 2 303.318 1.467 20 5 DDBDLO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433119613 529134705 /nfs/dbraw/zinc/13/47/05/529134705.db2.gz GWBPQRHNSDYVAD-SNVBAGLBSA-N 1 2 319.321 1.430 20 5 DDBDLO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000050901523 696234962 /nfs/dbraw/zinc/23/49/62/696234962.db2.gz DCFNDFUKNJUHSL-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000050901523 696234964 /nfs/dbraw/zinc/23/49/64/696234964.db2.gz DCFNDFUKNJUHSL-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO CCCCNC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075666986 696423139 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COc1cccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802237961 700387229 /nfs/dbraw/zinc/38/72/29/700387229.db2.gz KJHDTRSOHOLMAM-SNVBAGLBSA-N 1 2 312.297 1.804 20 5 DDBDLO COc1cccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802237961 700387234 /nfs/dbraw/zinc/38/72/34/700387234.db2.gz KJHDTRSOHOLMAM-SNVBAGLBSA-N 1 2 312.297 1.804 20 5 DDBDLO CN(C)c1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000762481968 700893964 /nfs/dbraw/zinc/89/39/64/700893964.db2.gz WQUNWSYYMKYFFT-UHFFFAOYSA-N 1 2 308.725 1.919 20 5 DDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000804562122 701201027 /nfs/dbraw/zinc/20/10/27/701201027.db2.gz VWOWKMBPUFKZAI-LLVKDONJSA-N 1 2 322.321 1.414 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771144170 701311194 /nfs/dbraw/zinc/31/11/94/701311194.db2.gz FUAQPOGJWMHLCC-NRFANRHFSA-N 1 2 311.407 1.404 20 5 DDBDLO Nc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000854496487 704407858 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NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591459332 355316329 /nfs/dbraw/zinc/31/63/29/355316329.db2.gz VSNVQCMUCZMVNY-NSHDSACASA-N 1 2 315.333 1.732 20 5 DDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2c[nH+]cn2C1 ZINC000592945477 355747699 /nfs/dbraw/zinc/74/76/99/355747699.db2.gz LNRCHMTZGUBAAE-CYBMUJFWSA-N 1 2 314.345 1.713 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595567667 356556374 /nfs/dbraw/zinc/55/63/74/356556374.db2.gz LTVFSDMDADVOKK-PWSUYJOCSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595567667 356556377 /nfs/dbraw/zinc/55/63/77/356556377.db2.gz LTVFSDMDADVOKK-PWSUYJOCSA-N 1 2 312.297 1.090 20 5 DDBDLO NC(=O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000618279337 363561923 /nfs/dbraw/zinc/56/19/23/363561923.db2.gz XLGKQXJSXGZTEF-UHFFFAOYSA-N 1 2 317.349 1.701 20 5 DDBDLO NC(=O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000618279337 363561927 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/nfs/dbraw/zinc/21/62/99/358216299.db2.gz XOWWWCQUPRRTJN-LBPRGKRZSA-N 1 2 307.350 1.272 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600997997 358374806 /nfs/dbraw/zinc/37/48/06/358374806.db2.gz QGJLQGQOJKYSTO-JTQLQIEISA-N 1 2 311.313 1.184 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCn1cc[nH+]c1 ZINC000601101206 358402809 /nfs/dbraw/zinc/40/28/09/358402809.db2.gz SZHMKJBDUMZPSH-UHFFFAOYSA-N 1 2 304.232 1.656 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000601424361 358546685 /nfs/dbraw/zinc/54/66/85/358546685.db2.gz HKJGPMJXXBJSSR-UHFFFAOYSA-N 1 2 304.281 1.895 20 5 DDBDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c([N+](=O)[O-])n1 ZINC000602825199 359218758 /nfs/dbraw/zinc/21/87/58/359218758.db2.gz KCCCFJSYFAVEDC-ZDUSSCGKSA-N 1 2 304.354 1.789 20 5 DDBDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c([N+](=O)[O-])n1 ZINC000602825199 359218760 /nfs/dbraw/zinc/21/87/60/359218760.db2.gz KCCCFJSYFAVEDC-ZDUSSCGKSA-N 1 2 304.354 1.789 20 5 DDBDLO COc1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602899213 359280438 /nfs/dbraw/zinc/28/04/38/359280438.db2.gz OCNNTQWGGCRABD-QMTHXVAHSA-N 1 2 314.313 1.060 20 5 DDBDLO COc1cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000602899213 359280442 /nfs/dbraw/zinc/28/04/42/359280442.db2.gz OCNNTQWGGCRABD-QMTHXVAHSA-N 1 2 314.313 1.060 20 5 DDBDLO Cc1c(Cn2cc([C@@H]3COCC[NH2+]3)nn2)cccc1[N+](=O)[O-] ZINC000603195844 359472571 /nfs/dbraw/zinc/47/25/71/359472571.db2.gz CEJRDKYYFUNYDC-ZDUSSCGKSA-N 1 2 303.322 1.204 20 5 DDBDLO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187718936 200148291 /nfs/dbraw/zinc/14/82/91/200148291.db2.gz NSVLPHDSCSXTJS-WDEREUQCSA-N 1 2 307.350 1.903 20 5 DDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132868 360263013 /nfs/dbraw/zinc/26/30/13/360263013.db2.gz NPVZWHZNNFKJMI-JTQLQIEISA-N 1 2 316.321 1.127 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000609144507 360267006 /nfs/dbraw/zinc/26/70/06/360267006.db2.gz QRFIAICOJXUKDM-NSHDSACASA-N 1 2 322.340 1.724 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000609144507 360267011 /nfs/dbraw/zinc/26/70/11/360267011.db2.gz QRFIAICOJXUKDM-NSHDSACASA-N 1 2 322.340 1.724 20 5 DDBDLO CC(C)(C)CC(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610484824 360447902 /nfs/dbraw/zinc/44/79/02/360447902.db2.gz ZAXBEVOZNNPUDV-UHFFFAOYSA-N 1 2 323.397 1.372 20 5 DDBDLO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275176437 212174348 /nfs/dbraw/zinc/17/43/48/212174348.db2.gz CJVKDDLNSNZYBJ-AAEUAGOBSA-N 1 2 308.334 1.245 20 5 DDBDLO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275176437 212174351 /nfs/dbraw/zinc/17/43/51/212174351.db2.gz CJVKDDLNSNZYBJ-AAEUAGOBSA-N 1 2 308.334 1.245 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCOC1 ZINC000350558798 284217437 /nfs/dbraw/zinc/21/74/37/284217437.db2.gz QPUGRWMEYBDOAO-AWEZNQCLSA-N 1 2 321.377 1.875 20 5 DDBDLO CC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264752471 204128050 /nfs/dbraw/zinc/12/80/50/204128050.db2.gz MMHLOGBCYNRYFI-ZDUSSCGKSA-N 1 2 306.366 1.455 20 5 DDBDLO CC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264752471 204128051 /nfs/dbraw/zinc/12/80/51/204128051.db2.gz MMHLOGBCYNRYFI-ZDUSSCGKSA-N 1 2 306.366 1.455 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000267892679 206322326 /nfs/dbraw/zinc/32/23/26/206322326.db2.gz UUEPAIFRQFDPEJ-UHFFFAOYSA-N 1 2 304.306 1.712 20 5 DDBDLO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000334002648 249175844 /nfs/dbraw/zinc/17/58/44/249175844.db2.gz HLTLBQRCPKRVJT-GXFFZTMASA-N 1 2 307.350 1.759 20 5 DDBDLO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000334002648 249175846 /nfs/dbraw/zinc/17/58/46/249175846.db2.gz HLTLBQRCPKRVJT-GXFFZTMASA-N 1 2 307.350 1.759 20 5 DDBDLO COCCO[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338957764 250218153 /nfs/dbraw/zinc/21/81/53/250218153.db2.gz OXRDYKGLHUFRMH-AWEZNQCLSA-N 1 2 310.350 1.928 20 5 DDBDLO COCCO[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338957764 250218155 /nfs/dbraw/zinc/21/81/55/250218155.db2.gz OXRDYKGLHUFRMH-AWEZNQCLSA-N 1 2 310.350 1.928 20 5 DDBDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000339242528 250361743 /nfs/dbraw/zinc/36/17/43/250361743.db2.gz VMAFQPQLBFAGFJ-QWRGUYRKSA-N 1 2 321.333 1.417 20 5 DDBDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000339242528 250361746 /nfs/dbraw/zinc/36/17/46/250361746.db2.gz VMAFQPQLBFAGFJ-QWRGUYRKSA-N 1 2 321.333 1.417 20 5 DDBDLO CC(=O)c1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285066037 218277397 /nfs/dbraw/zinc/27/73/97/218277397.db2.gz PACJUJITKXJTST-HOTGVXAUSA-N 1 2 319.361 1.707 20 5 DDBDLO CC(=O)c1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285066037 218277399 /nfs/dbraw/zinc/27/73/99/218277399.db2.gz PACJUJITKXJTST-HOTGVXAUSA-N 1 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ZINC000352886464 285361777 /nfs/dbraw/zinc/36/17/77/285361777.db2.gz HKVIXDVROXJUBW-MFBWXBCUSA-N 1 2 301.346 1.915 20 5 DDBDLO O=C(CC[NH2+][C@H](CCO)C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000569927731 304384822 /nfs/dbraw/zinc/38/48/22/304384822.db2.gz HZXWNPRANISOQH-SNVBAGLBSA-N 1 2 317.292 1.529 20 5 DDBDLO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000076381099 406966260 /nfs/dbraw/zinc/96/62/60/406966260.db2.gz DRIUFUUYFCQCHA-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000076381099 406966262 /nfs/dbraw/zinc/96/62/62/406966262.db2.gz DRIUFUUYFCQCHA-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087259568 407118944 /nfs/dbraw/zinc/11/89/44/407118944.db2.gz PPRKCVQRTPXAAP-UHFFFAOYSA-N 1 2 321.377 1.318 20 5 DDBDLO Cc1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000126476935 407414589 /nfs/dbraw/zinc/41/45/89/407414589.db2.gz VJCVEVXAXRGRCV-UHFFFAOYSA-N 1 2 304.310 1.625 20 5 DDBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000170629450 407459334 /nfs/dbraw/zinc/45/93/34/407459334.db2.gz AVMYYVVNEUZNQS-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000170629450 407459341 /nfs/dbraw/zinc/45/93/41/407459341.db2.gz AVMYYVVNEUZNQS-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350102 407805969 /nfs/dbraw/zinc/80/59/69/407805969.db2.gz OGSUNQRFJAOXJA-JTQLQIEISA-N 1 2 320.349 1.187 20 5 DDBDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350102 407805974 /nfs/dbraw/zinc/80/59/74/407805974.db2.gz OGSUNQRFJAOXJA-JTQLQIEISA-N 1 2 320.349 1.187 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000153759368 407895832 /nfs/dbraw/zinc/89/58/32/407895832.db2.gz BKMMSAXFOYVDHN-CYBMUJFWSA-N 1 2 310.350 1.284 20 5 DDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000272490746 407944619 /nfs/dbraw/zinc/94/46/19/407944619.db2.gz CFRGVLISUBIELH-GFCCVEGCSA-N 1 2 305.334 1.611 20 5 DDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000272490746 407944622 /nfs/dbraw/zinc/94/46/22/407944622.db2.gz CFRGVLISUBIELH-GFCCVEGCSA-N 1 2 305.334 1.611 20 5 DDBDLO O=CN1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000272987271 408020418 /nfs/dbraw/zinc/02/04/18/408020418.db2.gz SBXNOAPSHMAWTK-UHFFFAOYSA-N 1 2 321.333 1.125 20 5 DDBDLO O=CN1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000272987271 408020421 /nfs/dbraw/zinc/02/04/21/408020421.db2.gz SBXNOAPSHMAWTK-UHFFFAOYSA-N 1 2 321.333 1.125 20 5 DDBDLO C[N@@H+](Cc1cscn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222387 408100350 /nfs/dbraw/zinc/10/03/50/408100350.db2.gz UWAZGRRIPAWCMM-LBPRGKRZSA-N 1 2 323.374 1.923 20 5 DDBDLO C[N@H+](Cc1cscn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222387 408100354 /nfs/dbraw/zinc/10/03/54/408100354.db2.gz UWAZGRRIPAWCMM-LBPRGKRZSA-N 1 2 323.374 1.923 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189783932 408108449 /nfs/dbraw/zinc/10/84/49/408108449.db2.gz WZTQZSGZSQRJIR-CABCVRRESA-N 1 2 321.377 1.475 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189783932 408108450 /nfs/dbraw/zinc/10/84/50/408108450.db2.gz WZTQZSGZSQRJIR-CABCVRRESA-N 1 2 321.377 1.475 20 5 DDBDLO Cc1c(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000269619137 408363323 /nfs/dbraw/zinc/36/33/23/408363323.db2.gz MMYWDUMAIFMJSP-NSHDSACASA-N 1 2 302.334 1.847 20 5 DDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H](C)[NH+]1CCOCC1 ZINC000176506471 408384800 /nfs/dbraw/zinc/38/48/00/408384800.db2.gz ASZMTFDCKYWRQE-MNOVXSKESA-N 1 2 322.365 1.016 20 5 DDBDLO Cn1cc([C@@H]2CSCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000191213207 408388167 /nfs/dbraw/zinc/38/81/67/408388167.db2.gz NFCCMUMLMMHTFL-LBPRGKRZSA-N 1 2 322.394 1.315 20 5 DDBDLO Cn1cc([C@@H]2CSCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000191213207 408388172 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CCOC(=O)C[N@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178206225 408787284 /nfs/dbraw/zinc/78/72/84/408787284.db2.gz QEDLHGXWJQGJKN-UHFFFAOYSA-N 1 2 322.365 1.373 20 5 DDBDLO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[C@H]21 ZINC000252657368 408807194 /nfs/dbraw/zinc/80/71/94/408807194.db2.gz KDHMBOOCLVVRPZ-CHWSQXEVSA-N 1 2 319.361 1.857 20 5 DDBDLO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[C@H]21 ZINC000252657368 408807197 /nfs/dbraw/zinc/80/71/97/408807197.db2.gz KDHMBOOCLVVRPZ-CHWSQXEVSA-N 1 2 319.361 1.857 20 5 DDBDLO Cc1cc(OC[C@@H](O)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000185107016 408759194 /nfs/dbraw/zinc/75/91/94/408759194.db2.gz UOZWRZIEFWZOCG-NSHDSACASA-N 1 2 314.313 1.114 20 5 DDBDLO COC(=O)c1cc(C)nc(N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000286097341 408923369 /nfs/dbraw/zinc/92/33/69/408923369.db2.gz KUPLYBCAFIXXQJ-UHFFFAOYSA-N 1 2 319.321 1.455 20 5 DDBDLO C[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194707743 163294605 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Cc1cc(NCCN(C)C(=O)Cc2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC001101729087 777444990 /nfs/dbraw/zinc/44/49/90/777444990.db2.gz YEEMADYZVDOPJG-UHFFFAOYSA-N 1 2 318.337 1.134 20 5 DDBDLO Cc1cc(Cl)nc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155196131 861820705 /nfs/dbraw/zinc/82/07/05/861820705.db2.gz KVFGRWJVTLAYAL-VIFPVBQESA-N 1 2 300.746 1.694 20 5 DDBDLO Cc1cc(Cl)nc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155196131 861820724 /nfs/dbraw/zinc/82/07/24/861820724.db2.gz KVFGRWJVTLAYAL-VIFPVBQESA-N 1 2 300.746 1.694 20 5 DDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cnc(F)cn3)CC2)c1 ZINC001333690096 866940313 /nfs/dbraw/zinc/94/03/13/866940313.db2.gz BXCBURXXYJUBSZ-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cc3Cl)[C@H]1CC(=O)C2 ZINC001226254559 882312447 /nfs/dbraw/zinc/31/24/47/882312447.db2.gz BAUBSLJXASZJNC-BPTDKIDVSA-N 1 2 311.725 1.826 20 5 DDBDLO C[N@H+]1[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cc3Cl)[C@H]1CC(=O)C2 ZINC001226254559 882312465 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DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)s1 ZINC000084015424 192395529 /nfs/dbraw/zinc/39/55/29/192395529.db2.gz OJNCXIFFDDIGRH-UHFFFAOYSA-N 1 2 311.344 1.803 20 5 DDBDLO CC[N@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000051791644 352593845 /nfs/dbraw/zinc/59/38/45/352593845.db2.gz ULWUJTLZSFCFQB-UHFFFAOYSA-N 1 2 323.349 1.371 20 5 DDBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000051791644 352593847 /nfs/dbraw/zinc/59/38/47/352593847.db2.gz ULWUJTLZSFCFQB-UHFFFAOYSA-N 1 2 323.349 1.371 20 5 DDBDLO CCC[N@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000056508535 352775360 /nfs/dbraw/zinc/77/53/60/352775360.db2.gz ICEOHEWZLKRNQQ-UHFFFAOYSA-N 1 2 323.349 1.419 20 5 DDBDLO CCC[N@@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000056508535 352775361 /nfs/dbraw/zinc/77/53/61/352775361.db2.gz ICEOHEWZLKRNQQ-UHFFFAOYSA-N 1 2 323.349 1.419 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057004156 352794791 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DDBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597584901 357238864 /nfs/dbraw/zinc/23/88/64/357238864.db2.gz YKPQRBITTAUOBA-VXGBXAGGSA-N 1 2 323.324 1.559 20 5 DDBDLO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597604223 357250366 /nfs/dbraw/zinc/25/03/66/357250366.db2.gz HUGZXZWXEWDUQB-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597604223 357250370 /nfs/dbraw/zinc/25/03/70/357250370.db2.gz HUGZXZWXEWDUQB-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598946937 357769990 /nfs/dbraw/zinc/76/99/90/357769990.db2.gz JADRAIORASEGIO-UWVGGRQHSA-N 1 2 318.308 1.775 20 5 DDBDLO O=C1NC[C@@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CCN12 ZINC000599062462 357805648 /nfs/dbraw/zinc/80/56/48/357805648.db2.gz QULPQTHPBGZVQK-LLVKDONJSA-N 1 2 313.317 1.357 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000599161564 357833697 /nfs/dbraw/zinc/83/36/97/357833697.db2.gz RTVVCOLIWIBQOH-CYBMUJFWSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000599161564 357833698 /nfs/dbraw/zinc/83/36/98/357833698.db2.gz RTVVCOLIWIBQOH-CYBMUJFWSA-N 1 2 302.334 1.886 20 5 DDBDLO NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000175751006 283305689 /nfs/dbraw/zinc/30/56/89/283305689.db2.gz IPNLUUMXOMPABY-UHFFFAOYSA-N 1 2 312.757 1.881 20 5 DDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600067376 358113855 /nfs/dbraw/zinc/11/38/55/358113855.db2.gz UADSRMMUABGFNO-UHFFFAOYSA-N 1 2 323.324 1.327 20 5 DDBDLO Cc1cc[nH+]c(N2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)c1 ZINC000602452244 358986519 /nfs/dbraw/zinc/98/65/19/358986519.db2.gz JMQCZRNKJDOXBP-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO Cn1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602632461 359086791 /nfs/dbraw/zinc/08/67/91/359086791.db2.gz JOHMOVNWBFGZJI-WPRPVWTQSA-N 1 2 322.287 1.464 20 5 DDBDLO Cn1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602632461 359086798 /nfs/dbraw/zinc/08/67/98/359086798.db2.gz JOHMOVNWBFGZJI-WPRPVWTQSA-N 1 2 322.287 1.464 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000602834290 359225030 /nfs/dbraw/zinc/22/50/30/359225030.db2.gz YGWBIRFOPXIWAI-NNJUXLKUSA-N 1 2 314.411 1.331 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000602834290 359225032 /nfs/dbraw/zinc/22/50/32/359225032.db2.gz YGWBIRFOPXIWAI-NNJUXLKUSA-N 1 2 314.411 1.331 20 5 DDBDLO CO[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602900092 359280993 /nfs/dbraw/zinc/28/09/93/359280993.db2.gz RZWFVLOPIIKARB-OAHLLOKOSA-N 1 2 323.349 1.537 20 5 DDBDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602900092 359280999 /nfs/dbraw/zinc/28/09/99/359280999.db2.gz RZWFVLOPIIKARB-OAHLLOKOSA-N 1 2 323.349 1.537 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000348281088 283449033 /nfs/dbraw/zinc/44/90/33/283449033.db2.gz RKPGIGTUWUIQNT-UHFFFAOYSA-N 1 2 317.301 1.694 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2ccc[nH+]c2N2CCOCC2)s1 ZINC000190314358 200517262 /nfs/dbraw/zinc/51/72/62/200517262.db2.gz CDJBCYYOZWEKDM-UHFFFAOYSA-N 1 2 321.362 1.895 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCOC[C@H]1C ZINC000610990649 360592105 /nfs/dbraw/zinc/59/21/05/360592105.db2.gz FSKKMRVFTKXBAW-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCOC[C@H]1C ZINC000610990649 360592108 /nfs/dbraw/zinc/59/21/08/360592108.db2.gz FSKKMRVFTKXBAW-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000275026422 212079480 /nfs/dbraw/zinc/07/94/80/212079480.db2.gz VHUZYABCQNQSMH-DGCLKSJQSA-N 1 2 323.349 1.030 20 5 DDBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000275026422 212079481 /nfs/dbraw/zinc/07/94/81/212079481.db2.gz VHUZYABCQNQSMH-DGCLKSJQSA-N 1 2 323.349 1.030 20 5 DDBDLO Cc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000093530980 193265448 /nfs/dbraw/zinc/26/54/48/193265448.db2.gz BTKJNKGEAMZCOF-GFCCVEGCSA-N 1 2 313.379 1.027 20 5 DDBDLO Cc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000093530980 193265449 /nfs/dbraw/zinc/26/54/49/193265449.db2.gz BTKJNKGEAMZCOF-GFCCVEGCSA-N 1 2 313.379 1.027 20 5 DDBDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000350871359 284274496 /nfs/dbraw/zinc/27/44/96/284274496.db2.gz QAUNEPJNGGYQFU-MNOVXSKESA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000350871359 284274500 /nfs/dbraw/zinc/27/45/00/284274500.db2.gz QAUNEPJNGGYQFU-MNOVXSKESA-N 1 2 313.379 1.308 20 5 DDBDLO C=Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000567438884 304218994 /nfs/dbraw/zinc/21/89/94/304218994.db2.gz LIRAEMAYIKHRPC-UHFFFAOYSA-N 1 2 314.349 1.609 20 5 DDBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340564398 251114687 /nfs/dbraw/zinc/11/46/87/251114687.db2.gz ZEMXTJFCWOJOAO-MRVPVSSYSA-N 1 2 300.261 1.868 20 5 DDBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340564398 251114690 /nfs/dbraw/zinc/11/46/90/251114690.db2.gz ZEMXTJFCWOJOAO-MRVPVSSYSA-N 1 2 300.261 1.868 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000269451559 207550510 /nfs/dbraw/zinc/55/05/10/207550510.db2.gz GLKBEZSEOCXJCU-UHFFFAOYSA-N 1 2 318.337 1.678 20 5 DDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352487236 285085692 /nfs/dbraw/zinc/08/56/92/285085692.db2.gz BMLIGWUZBVQQNL-UHFFFAOYSA-N 1 2 312.232 1.849 20 5 DDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352487236 285085694 /nfs/dbraw/zinc/08/56/94/285085694.db2.gz BMLIGWUZBVQQNL-UHFFFAOYSA-N 1 2 312.232 1.849 20 5 DDBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157095672 197161998 /nfs/dbraw/zinc/16/19/98/197161998.db2.gz OOGKRHYHHBTIPN-KGLIPLIRSA-N 1 2 317.349 1.594 20 5 DDBDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157095672 197162000 /nfs/dbraw/zinc/16/20/00/197162000.db2.gz OOGKRHYHHBTIPN-KGLIPLIRSA-N 1 2 317.349 1.594 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352686931 285227039 /nfs/dbraw/zinc/22/70/39/285227039.db2.gz RUUWXLPSODTJMY-RKDXNWHRSA-N 1 2 322.287 1.321 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352686931 285227042 /nfs/dbraw/zinc/22/70/42/285227042.db2.gz RUUWXLPSODTJMY-RKDXNWHRSA-N 1 2 322.287 1.321 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352696646 285235031 /nfs/dbraw/zinc/23/50/31/285235031.db2.gz JQIFOQPHCFMWFO-ZDUSSCGKSA-N 1 2 320.349 1.004 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352696646 285235035 /nfs/dbraw/zinc/23/50/35/285235035.db2.gz JQIFOQPHCFMWFO-ZDUSSCGKSA-N 1 2 320.349 1.004 20 5 DDBDLO Cc1c(NC(=O)CC[NH2+][C@]2(C)CCOC2=O)cccc1[N+](=O)[O-] ZINC000289557117 221065080 /nfs/dbraw/zinc/06/50/80/221065080.db2.gz NKRWNKPXTWHIQK-OAHLLOKOSA-N 1 2 321.333 1.527 20 5 DDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2[nH]cc[nH+]2)cc1SC ZINC000114336716 407562061 /nfs/dbraw/zinc/56/20/61/407562061.db2.gz ZUEQWSGEJNCDBR-UHFFFAOYSA-N 1 2 322.346 1.978 20 5 DDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030544554 406932522 /nfs/dbraw/zinc/93/25/22/406932522.db2.gz OHEOYUUGVYEALY-GFCCVEGCSA-N 1 2 318.377 1.384 20 5 DDBDLO COc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000051154270 407135827 /nfs/dbraw/zinc/13/58/27/407135827.db2.gz PCVMVBFNZHOKCI-UHFFFAOYSA-N 1 2 307.350 1.658 20 5 DDBDLO COc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000051154270 407135828 /nfs/dbraw/zinc/13/58/28/407135828.db2.gz PCVMVBFNZHOKCI-UHFFFAOYSA-N 1 2 307.350 1.658 20 5 DDBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCOC1 ZINC000106884389 407365189 /nfs/dbraw/zinc/36/51/89/407365189.db2.gz REPNAHPUHKSUBA-LBPRGKRZSA-N 1 2 304.306 1.866 20 5 DDBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCOC1 ZINC000106884389 407365190 /nfs/dbraw/zinc/36/51/90/407365190.db2.gz REPNAHPUHKSUBA-LBPRGKRZSA-N 1 2 304.306 1.866 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125058119 407377953 /nfs/dbraw/zinc/37/79/53/407377953.db2.gz CRHKIGNJAJXXOP-OAHLLOKOSA-N 1 2 307.350 1.689 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000125058119 407377956 /nfs/dbraw/zinc/37/79/56/407377956.db2.gz CRHKIGNJAJXXOP-OAHLLOKOSA-N 1 2 307.350 1.689 20 5 DDBDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186311667 407635782 /nfs/dbraw/zinc/63/57/82/407635782.db2.gz HGWHQLDVQKFKFS-UHFFFAOYSA-N 1 2 318.333 1.795 20 5 DDBDLO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3ccco3)CC2)n1 ZINC000267106575 407749173 /nfs/dbraw/zinc/74/91/73/407749173.db2.gz WEKZZUPFKOIXMT-UHFFFAOYSA-N 1 2 305.338 1.202 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3ccco3)CC2)n1 ZINC000267106575 407749177 /nfs/dbraw/zinc/74/91/77/407749177.db2.gz WEKZZUPFKOIXMT-UHFFFAOYSA-N 1 2 305.338 1.202 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171860924 407783555 /nfs/dbraw/zinc/78/35/55/407783555.db2.gz LGTDUASFOINNDR-UHFFFAOYSA-N 1 2 313.379 1.451 20 5 DDBDLO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000153570674 407855526 /nfs/dbraw/zinc/85/55/26/407855526.db2.gz ZDOWFXDYBGEPGJ-GFCCVEGCSA-N 1 2 318.333 1.623 20 5 DDBDLO Cc1cc(S(=O)(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000272369897 407889304 /nfs/dbraw/zinc/88/93/04/407889304.db2.gz PICJLYWSASMCIT-UHFFFAOYSA-N 1 2 310.335 1.115 20 5 DDBDLO COC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000189440691 408018749 /nfs/dbraw/zinc/01/87/49/408018749.db2.gz ZEDYVRJZMSUJNO-CHWSQXEVSA-N 1 2 310.350 1.709 20 5 DDBDLO COC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000189440691 408018754 /nfs/dbraw/zinc/01/87/54/408018754.db2.gz ZEDYVRJZMSUJNO-CHWSQXEVSA-N 1 2 310.350 1.709 20 5 DDBDLO COC[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000189446161 408020018 /nfs/dbraw/zinc/02/00/18/408020018.db2.gz YAXKQCVYKZSEED-DFBGVHRSSA-N 1 2 310.350 1.364 20 5 DDBDLO COC[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000189446161 408020021 /nfs/dbraw/zinc/02/00/21/408020021.db2.gz YAXKQCVYKZSEED-DFBGVHRSSA-N 1 2 310.350 1.364 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C(=O)C1 ZINC000119407283 408062885 /nfs/dbraw/zinc/06/28/85/408062885.db2.gz RNIZHSBCZDXJOW-UHFFFAOYSA-N 1 2 320.349 1.006 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C(=O)C1 ZINC000119407283 408062894 /nfs/dbraw/zinc/06/28/94/408062894.db2.gz RNIZHSBCZDXJOW-UHFFFAOYSA-N 1 2 320.349 1.006 20 5 DDBDLO CC(=O)N1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268662414 408144184 /nfs/dbraw/zinc/14/41/84/408144184.db2.gz ISODMUJPJMIFOK-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO CC(=O)N1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268662414 408144190 /nfs/dbraw/zinc/14/41/90/408144190.db2.gz ISODMUJPJMIFOK-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO COC(=O)[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000191018943 408358125 /nfs/dbraw/zinc/35/81/25/408358125.db2.gz FJLVUOAFJBWIAJ-GYSYKLTISA-N 1 2 310.350 1.428 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264275670 408422049 /nfs/dbraw/zinc/42/20/49/408422049.db2.gz HGSQEPIOZCQFIR-UHFFFAOYSA-N 1 2 318.289 1.030 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)on1 ZINC000265178381 408571466 /nfs/dbraw/zinc/57/14/66/408571466.db2.gz IJSDDQDBGLTHFE-UHFFFAOYSA-N 1 2 317.349 1.917 20 5 DDBDLO O=C(C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265477321 408665730 /nfs/dbraw/zinc/66/57/30/408665730.db2.gz KNDLZGBMBWBEGR-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265477321 408665738 /nfs/dbraw/zinc/66/57/38/408665738.db2.gz KNDLZGBMBWBEGR-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO Cc1cc(N2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265507268 408676049 /nfs/dbraw/zinc/67/60/49/408676049.db2.gz YYVSDADTLFXROP-CYBMUJFWSA-N 1 2 300.318 1.931 20 5 DDBDLO COc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1F ZINC000185432582 408807438 /nfs/dbraw/zinc/80/74/38/408807438.db2.gz AOROQLNVBPEBSI-JLTPVHFHSA-N 1 2 318.370 1.941 20 5 DDBDLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1F ZINC000185432582 408807440 /nfs/dbraw/zinc/80/74/40/408807440.db2.gz AOROQLNVBPEBSI-JLTPVHFHSA-N 1 2 318.370 1.941 20 5 DDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000185182499 408776846 /nfs/dbraw/zinc/77/68/46/408776846.db2.gz OXRXCVVXIRTQEU-GFCCVEGCSA-N 1 2 319.283 1.640 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185205317 408779676 /nfs/dbraw/zinc/77/96/76/408779676.db2.gz DVIRXVAAPXQJGV-MRXNPFEDSA-N 1 2 322.361 1.985 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185205317 408779678 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CC(=O)c1ccc(N(C)[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000278813272 409094840 /nfs/dbraw/zinc/09/48/40/409094840.db2.gz INTPRMWMPNVEFN-LBPRGKRZSA-N 1 2 321.377 1.954 20 5 DDBDLO Nc1ncccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289259460 409238675 /nfs/dbraw/zinc/23/86/75/409238675.db2.gz CYFIQABUNAXPFV-UHFFFAOYSA-N 1 2 313.361 1.894 20 5 DDBDLO COc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000280214573 409270873 /nfs/dbraw/zinc/27/08/73/409270873.db2.gz AHXPQFAKFPCZNN-LRDDRELGSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000280214573 409270875 /nfs/dbraw/zinc/27/08/75/409270875.db2.gz AHXPQFAKFPCZNN-LRDDRELGSA-N 1 2 322.361 1.983 20 5 DDBDLO Cc1nn(C)cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295952246 409381325 /nfs/dbraw/zinc/38/13/25/409381325.db2.gz HMPOCPULICYWRR-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO CO[C@H]1COC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000290228735 409330365 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/nfs/dbraw/zinc/27/51/76/410275176.db2.gz NUYOMADSNWHHQF-UHFFFAOYSA-N 1 2 315.289 1.978 20 5 DDBDLO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000355130398 410330653 /nfs/dbraw/zinc/33/06/53/410330653.db2.gz JKRIQXJGKALOSB-OLZOCXBDSA-N 1 2 321.377 1.363 20 5 DDBDLO COC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000355278910 410413628 /nfs/dbraw/zinc/41/36/28/410413628.db2.gz RZQGQSQNWDQEAT-LBPRGKRZSA-N 1 2 307.350 1.446 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000339779776 410454580 /nfs/dbraw/zinc/45/45/80/410454580.db2.gz IKEIHRFEDWKPRY-GFCCVEGCSA-N 1 2 307.350 1.689 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000339779776 410454585 /nfs/dbraw/zinc/45/45/85/410454585.db2.gz IKEIHRFEDWKPRY-GFCCVEGCSA-N 1 2 307.350 1.689 20 5 DDBDLO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000343566656 410537910 /nfs/dbraw/zinc/53/79/10/410537910.db2.gz ISZTXDFFMSRMJJ-LBPRGKRZSA-N 1 2 307.350 1.905 20 5 DDBDLO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000343566656 410537914 /nfs/dbraw/zinc/53/79/14/410537914.db2.gz ISZTXDFFMSRMJJ-LBPRGKRZSA-N 1 2 307.350 1.905 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000330453451 410702444 /nfs/dbraw/zinc/70/24/44/410702444.db2.gz LJAAOBOUSNOYJP-MLGOLLRUSA-N 1 2 321.377 1.453 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000330453451 410702449 /nfs/dbraw/zinc/70/24/49/410702449.db2.gz LJAAOBOUSNOYJP-MLGOLLRUSA-N 1 2 321.377 1.453 20 5 DDBDLO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000330453451 410702456 /nfs/dbraw/zinc/70/24/56/410702456.db2.gz LJAAOBOUSNOYJP-MLGOLLRUSA-N 1 2 321.377 1.453 20 5 DDBDLO CS(=O)(=O)c1cccc(NCc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000302822642 410871212 /nfs/dbraw/zinc/87/12/12/410871212.db2.gz KVDKOEQBKRDJSS-UHFFFAOYSA-N 1 2 322.346 1.588 20 5 DDBDLO Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000341582324 411049169 /nfs/dbraw/zinc/04/91/69/411049169.db2.gz SHMXSCYHMMLJJI-UHFFFAOYSA-N 1 2 317.349 1.767 20 5 DDBDLO O=C1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]2N1 ZINC000133076459 196310061 /nfs/dbraw/zinc/31/00/61/196310061.db2.gz NWXXVTQBGCAGOC-CABCVRRESA-N 1 2 319.361 1.717 20 5 DDBDLO O=C1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]2N1 ZINC000133076459 196310063 /nfs/dbraw/zinc/31/00/63/196310063.db2.gz NWXXVTQBGCAGOC-CABCVRRESA-N 1 2 319.361 1.717 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374452835 418531770 /nfs/dbraw/zinc/53/17/70/418531770.db2.gz NIRHMGPSMCEVEF-YUTCNCBUSA-N 1 2 318.377 1.591 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367204351 418570460 /nfs/dbraw/zinc/57/04/60/418570460.db2.gz BPYKBMDEPADZQO-NSHDSACASA-N 1 2 322.287 1.608 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367204351 418570462 /nfs/dbraw/zinc/57/04/62/418570462.db2.gz BPYKBMDEPADZQO-NSHDSACASA-N 1 2 322.287 1.608 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374566253 418541364 /nfs/dbraw/zinc/54/13/64/418541364.db2.gz NKYXZULTRLPGHI-GYSYKLTISA-N 1 2 307.325 1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374566253 418541366 /nfs/dbraw/zinc/54/13/66/418541366.db2.gz NKYXZULTRLPGHI-GYSYKLTISA-N 1 2 307.325 1.820 20 5 DDBDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578863 418684045 /nfs/dbraw/zinc/68/40/45/418684045.db2.gz APKYGDGROFZUQU-AAEUAGOBSA-N 1 2 323.349 1.005 20 5 DDBDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578863 418684048 /nfs/dbraw/zinc/68/40/48/418684048.db2.gz APKYGDGROFZUQU-AAEUAGOBSA-N 1 2 323.349 1.005 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000408171304 418790936 /nfs/dbraw/zinc/79/09/36/418790936.db2.gz HVYIMSVHHIIJNV-GXTWGEPZSA-N 1 2 320.393 1.764 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420991412 419426702 /nfs/dbraw/zinc/42/67/02/419426702.db2.gz WMSICPOLJUUZNI-ZYHUDNBSSA-N 1 2 320.349 1.132 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420991412 419426710 /nfs/dbraw/zinc/42/67/10/419426710.db2.gz WMSICPOLJUUZNI-ZYHUDNBSSA-N 1 2 320.349 1.132 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000423691549 420129825 /nfs/dbraw/zinc/12/98/25/420129825.db2.gz FAUWNXALLDRLAL-SNVBAGLBSA-N 1 2 313.304 1.878 20 5 DDBDLO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000430192602 420088428 /nfs/dbraw/zinc/08/84/28/420088428.db2.gz CHQRVVNGIJNHES-BXUZGUMPSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000430192602 420088431 /nfs/dbraw/zinc/08/84/31/420088431.db2.gz CHQRVVNGIJNHES-BXUZGUMPSA-N 1 2 310.350 1.839 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069258 420621215 /nfs/dbraw/zinc/62/12/15/420621215.db2.gz PXFATIWVXSUGHI-GHMZBOCLSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069258 420621221 /nfs/dbraw/zinc/62/12/21/420621221.db2.gz PXFATIWVXSUGHI-GHMZBOCLSA-N 1 2 323.349 1.245 20 5 DDBDLO CCc1nc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)no1 ZINC000441259747 420642422 /nfs/dbraw/zinc/64/24/22/420642422.db2.gz NDOBHNHVGHIJIX-UHFFFAOYSA-N 1 2 321.337 1.227 20 5 DDBDLO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc([N+](=O)[O-])c1 ZINC000449647794 421044376 /nfs/dbraw/zinc/04/43/76/421044376.db2.gz FCROYFGZXCKNKN-NSHDSACASA-N 1 2 313.304 1.878 20 5 DDBDLO COc1cc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000487970652 421062049 /nfs/dbraw/zinc/06/20/49/421062049.db2.gz IHYXZLWAENLIIH-KBPBESRZSA-N 1 2 314.313 1.588 20 5 DDBDLO COc1ccc(CNc2nc(N(C)C)nc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000488408033 421089019 /nfs/dbraw/zinc/08/90/19/421089019.db2.gz OJODACSYWFRTFO-UHFFFAOYSA-N 1 2 318.337 1.775 20 5 DDBDLO COc1ccc(CNc2nc(C)[nH+]c(N(C)C)n2)cc1[N+](=O)[O-] ZINC000488408033 421089023 /nfs/dbraw/zinc/08/90/23/421089023.db2.gz OJODACSYWFRTFO-UHFFFAOYSA-N 1 2 318.337 1.775 20 5 DDBDLO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450046657 421133993 /nfs/dbraw/zinc/13/39/93/421133993.db2.gz SDVUSRRHICXPRB-GFCCVEGCSA-N 1 2 316.317 1.641 20 5 DDBDLO COCC[N@H+](Cc1ccnn1C)Cc1ccccc1[N+](=O)[O-] ZINC000489864326 421177237 /nfs/dbraw/zinc/17/72/37/421177237.db2.gz UAPQGAZZISTKPO-UHFFFAOYSA-N 1 2 304.350 1.977 20 5 DDBDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccccc1[N+](=O)[O-] ZINC000489864326 421177239 /nfs/dbraw/zinc/17/72/39/421177239.db2.gz UAPQGAZZISTKPO-UHFFFAOYSA-N 1 2 304.350 1.977 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000450348757 421186739 /nfs/dbraw/zinc/18/67/39/421186739.db2.gz MVFCIUINQPXPFI-IINYFYTJSA-N 1 2 316.317 1.233 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523480715 421239463 /nfs/dbraw/zinc/23/94/63/421239463.db2.gz XFPCWNTZYBSEAQ-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523480715 421239466 /nfs/dbraw/zinc/23/94/66/421239466.db2.gz XFPCWNTZYBSEAQ-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc[nH+]cc1N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450503898 421205042 /nfs/dbraw/zinc/20/50/42/421205042.db2.gz WZLRBJGKQPSMOW-UHFFFAOYSA-N 1 2 314.349 1.723 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000450542782 421208483 /nfs/dbraw/zinc/20/84/83/421208483.db2.gz WRGWNBGCMQVAMU-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000450542782 421208484 /nfs/dbraw/zinc/20/84/84/421208484.db2.gz WRGWNBGCMQVAMU-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO CNc1c(C(=O)N2CC(n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000546615347 421298266 /nfs/dbraw/zinc/29/82/66/421298266.db2.gz SZUBSXDWERAZAW-UHFFFAOYSA-N 1 2 301.306 1.530 20 5 DDBDLO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000548120730 421403076 /nfs/dbraw/zinc/40/30/76/421403076.db2.gz BWZRYPZICUVBCZ-LLVKDONJSA-N 1 2 307.350 1.761 20 5 DDBDLO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000548120730 421403078 /nfs/dbraw/zinc/40/30/78/421403078.db2.gz BWZRYPZICUVBCZ-LLVKDONJSA-N 1 2 307.350 1.761 20 5 DDBDLO CNc1nccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000563408939 421503377 /nfs/dbraw/zinc/50/33/77/421503377.db2.gz MKPCGBKYTBUZEH-SCZZXKLOSA-N 1 2 316.321 1.664 20 5 DDBDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000542623662 421825350 /nfs/dbraw/zinc/82/53/50/421825350.db2.gz ZKLYZIJYZSZFRG-VIFPVBQESA-N 1 2 319.321 1.966 20 5 DDBDLO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590768 422351708 /nfs/dbraw/zinc/35/17/08/422351708.db2.gz ATKJTMYBCAXWHO-BBBLOLIVSA-N 1 2 300.384 1.961 20 5 DDBDLO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590768 422351710 /nfs/dbraw/zinc/35/17/10/422351710.db2.gz ATKJTMYBCAXWHO-BBBLOLIVSA-N 1 2 300.384 1.961 20 5 DDBDLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605382 263334185 /nfs/dbraw/zinc/33/41/85/263334185.db2.gz RBRBKTSBACWLJR-GFCCVEGCSA-N 1 2 321.377 1.494 20 5 DDBDLO COCCCNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605382 263334186 /nfs/dbraw/zinc/33/41/86/263334186.db2.gz RBRBKTSBACWLJR-GFCCVEGCSA-N 1 2 321.377 1.494 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347349307 272669954 /nfs/dbraw/zinc/66/99/54/272669954.db2.gz YXSFQVFIVVSOQW-JQVXPOPVSA-N 1 2 320.345 1.872 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347349307 272669956 /nfs/dbraw/zinc/66/99/56/272669956.db2.gz YXSFQVFIVVSOQW-JQVXPOPVSA-N 1 2 320.345 1.872 20 5 DDBDLO CCN(C)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000298471182 279017735 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JOHPRBWPAQQOPM-XJFOESAGSA-N 1 2 323.780 1.867 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000373090613 307178083 /nfs/dbraw/zinc/17/80/83/307178083.db2.gz ALKZSCHXMKFQNY-JTQLQIEISA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000373090613 307178084 /nfs/dbraw/zinc/17/80/84/307178084.db2.gz ALKZSCHXMKFQNY-JTQLQIEISA-N 1 2 300.318 1.914 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000560396640 307911131 /nfs/dbraw/zinc/91/11/31/307911131.db2.gz CMGVZTYOQGCSAB-UHFFFAOYSA-N 1 2 303.322 1.811 20 5 DDBDLO COc1cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000494660079 533809978 /nfs/dbraw/zinc/80/99/78/533809978.db2.gz UDSPWQGZHSWQIP-LBPRGKRZSA-N 1 2 321.333 1.630 20 5 DDBDLO COc1cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000494660079 533809988 /nfs/dbraw/zinc/80/99/88/533809988.db2.gz UDSPWQGZHSWQIP-LBPRGKRZSA-N 1 2 321.333 1.630 20 5 DDBDLO Cn1nnnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549071 534367897 /nfs/dbraw/zinc/36/78/97/534367897.db2.gz OUXZLTFIGXSRAC-LBPRGKRZSA-N 1 2 302.338 1.498 20 5 DDBDLO Cn1nnnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549071 534367902 /nfs/dbraw/zinc/36/79/02/534367902.db2.gz OUXZLTFIGXSRAC-LBPRGKRZSA-N 1 2 302.338 1.498 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000446073979 534473969 /nfs/dbraw/zinc/47/39/69/534473969.db2.gz VGQRTBRVJGRVAA-VWYCJHECSA-N 1 2 307.350 1.691 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000446073979 534473974 /nfs/dbraw/zinc/47/39/74/534473974.db2.gz VGQRTBRVJGRVAA-VWYCJHECSA-N 1 2 307.350 1.691 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000452090690 528264644 /nfs/dbraw/zinc/26/46/44/528264644.db2.gz VDTAMCVLCQHUCV-GFCCVEGCSA-N 1 2 323.349 1.070 20 5 DDBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000452090690 528264647 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1.118 20 5 DDBDLO Cc1nn(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000779859571 698476322 /nfs/dbraw/zinc/47/63/22/698476322.db2.gz KPXQEOZIJHOQCI-UHFFFAOYSA-N 1 2 323.397 1.541 20 5 DDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc([N+](=O)[O-])cn1 ZINC000800865694 700251259 /nfs/dbraw/zinc/25/12/59/700251259.db2.gz IBSFOAPNQVIYGJ-UHFFFAOYSA-N 1 2 305.294 1.832 20 5 DDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc([N+](=O)[O-])cn1 ZINC000800865694 700251261 /nfs/dbraw/zinc/25/12/61/700251261.db2.gz IBSFOAPNQVIYGJ-UHFFFAOYSA-N 1 2 305.294 1.832 20 5 DDBDLO C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCSC1 ZINC000794637310 699820595 /nfs/dbraw/zinc/82/05/95/699820595.db2.gz UONHTGAWNYSJEJ-VIFPVBQESA-N 1 2 309.347 1.898 20 5 DDBDLO C[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CCSC1 ZINC000794637310 699820597 /nfs/dbraw/zinc/82/05/97/699820597.db2.gz UONHTGAWNYSJEJ-VIFPVBQESA-N 1 2 309.347 1.898 20 5 DDBDLO Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000753895890 700465346 /nfs/dbraw/zinc/46/53/46/700465346.db2.gz PKALRYKQBJFKCD-OKILXGFUSA-N 1 2 320.345 1.923 20 5 DDBDLO Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000753895890 700465347 /nfs/dbraw/zinc/46/53/47/700465347.db2.gz PKALRYKQBJFKCD-OKILXGFUSA-N 1 2 320.345 1.923 20 5 DDBDLO COCC[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804337814 701180344 /nfs/dbraw/zinc/18/03/44/701180344.db2.gz AXRGZUBYXBKESL-UHFFFAOYSA-N 1 2 310.310 1.271 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830866166 706594129 /nfs/dbraw/zinc/59/41/29/706594129.db2.gz UNERWKPWCVDQPO-WDEREUQCSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830866166 706594133 /nfs/dbraw/zinc/59/41/33/706594133.db2.gz UNERWKPWCVDQPO-WDEREUQCSA-N 1 2 312.297 1.090 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000805471549 701383962 /nfs/dbraw/zinc/38/39/62/701383962.db2.gz NLDBFCRJZWUHIG-CQSZACIVSA-N 1 2 324.333 1.367 20 5 DDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000805471549 701383964 /nfs/dbraw/zinc/38/39/64/701383964.db2.gz NLDBFCRJZWUHIG-CQSZACIVSA-N 1 2 324.333 1.367 20 5 DDBDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815595123 701902040 /nfs/dbraw/zinc/90/20/40/701902040.db2.gz IGMAXTJOPDBVIB-QMMMGPOBSA-N 1 2 303.326 1.349 20 5 DDBDLO C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000814041250 702467145 /nfs/dbraw/zinc/46/71/45/702467145.db2.gz RLGMKYPAKNEFTP-SECBINFHSA-N 1 2 320.261 1.603 20 5 DDBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000852432615 704045891 /nfs/dbraw/zinc/04/58/91/704045891.db2.gz KQHAAZZTONAPMT-JTQLQIEISA-N 1 2 309.297 1.760 20 5 DDBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000852432615 704045894 /nfs/dbraw/zinc/04/58/94/704045894.db2.gz KQHAAZZTONAPMT-JTQLQIEISA-N 1 2 309.297 1.760 20 5 DDBDLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000857977566 704653675 /nfs/dbraw/zinc/65/36/75/704653675.db2.gz FLSQMWIKACPCAM-AAEUAGOBSA-N 1 2 302.290 1.086 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2c[nH+]cc21 ZINC000857982846 704655292 /nfs/dbraw/zinc/65/52/92/704655292.db2.gz MSUGYJDBHUQMKA-ZDUSSCGKSA-N 1 2 300.318 1.985 20 5 DDBDLO CC1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)COC1 ZINC000835099863 707172104 /nfs/dbraw/zinc/17/21/04/707172104.db2.gz BEMCFNHDEWOMQW-UHFFFAOYSA-N 1 2 317.301 1.974 20 5 DDBDLO Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000862860968 705812707 /nfs/dbraw/zinc/81/27/07/705812707.db2.gz WNMKQMXACHJCKD-GHMZBOCLSA-N 1 2 307.354 1.102 20 5 DDBDLO C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)CC1(C)COC1 ZINC000863295638 705893343 /nfs/dbraw/zinc/89/33/43/705893343.db2.gz BOZYNEAATREPCL-UHFFFAOYSA-N 1 2 307.306 1.429 20 5 DDBDLO C[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)CC1(C)COC1 ZINC000863295638 705893347 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316.741 1.320 20 5 DDBDLO Cc1cc(C)c(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000837100301 707578085 /nfs/dbraw/zinc/57/80/85/707578085.db2.gz BCXHDGRUOQQHET-OAHLLOKOSA-N 1 2 315.329 1.956 20 5 DDBDLO CC[C@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000872773324 707594473 /nfs/dbraw/zinc/59/44/73/707594473.db2.gz JQIITMGFJQCDQY-LBPRGKRZSA-N 1 2 311.386 1.642 20 5 DDBDLO CC[C@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000872773324 707594477 /nfs/dbraw/zinc/59/44/77/707594477.db2.gz JQIITMGFJQCDQY-LBPRGKRZSA-N 1 2 311.386 1.642 20 5 DDBDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000886468748 708765125 /nfs/dbraw/zinc/76/51/25/708765125.db2.gz PNGKGPDJPQLIOW-NSHDSACASA-N 1 2 313.379 1.310 20 5 DDBDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000886468748 708765127 /nfs/dbraw/zinc/76/51/27/708765127.db2.gz PNGKGPDJPQLIOW-NSHDSACASA-N 1 2 313.379 1.310 20 5 DDBDLO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000921412005 713761064 /nfs/dbraw/zinc/76/10/64/713761064.db2.gz CXSZEBLTNNFUHC-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000921412005 713761066 /nfs/dbraw/zinc/76/10/66/713761066.db2.gz CXSZEBLTNNFUHC-LLVKDONJSA-N 1 2 313.379 1.194 20 5 DDBDLO O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930223449 713780822 /nfs/dbraw/zinc/78/08/22/713780822.db2.gz WZFBLHFYMAKFKD-UONOGXRCSA-N 1 2 300.318 1.711 20 5 DDBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000932973222 714446762 /nfs/dbraw/zinc/44/67/62/714446762.db2.gz TZZVAHDIFQXDGQ-LBPRGKRZSA-N 1 2 323.349 1.653 20 5 DDBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000932973222 714446765 /nfs/dbraw/zinc/44/67/65/714446765.db2.gz TZZVAHDIFQXDGQ-LBPRGKRZSA-N 1 2 323.349 1.653 20 5 DDBDLO O=C(NCC1C[NH+](Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661824 747336371 /nfs/dbraw/zinc/33/63/71/747336371.db2.gz JKUCRYGKHYXBLO-ZIAGYGMSSA-N 1 2 323.780 1.553 20 5 DDBDLO Cc1cc(NCCNC(=O)CCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC001093581840 774857910 /nfs/dbraw/zinc/85/79/10/774857910.db2.gz DNNZUUXMDSQAMW-UHFFFAOYSA-N 1 2 317.349 1.787 20 5 DDBDLO CN(CCNC(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001100250550 775892577 /nfs/dbraw/zinc/89/25/77/775892577.db2.gz HRTZAWWLKUNGFB-UHFFFAOYSA-N 1 2 317.349 1.434 20 5 DDBDLO O=C(Cn1cc[nH+]c1)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094472088 775925869 /nfs/dbraw/zinc/92/58/69/775925869.db2.gz VGRSAPYCYJGYBE-UHFFFAOYSA-N 1 2 321.312 1.549 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001149203983 861486721 /nfs/dbraw/zinc/48/67/21/861486721.db2.gz DIVUYBUMDMLEIJ-LBPRGKRZSA-N 1 2 304.306 1.100 20 5 DDBDLO Cc1nn(C[NH+]2CCC3(CC2)COCCO3)c(C)c1[N+](=O)[O-] ZINC001331049891 864804858 /nfs/dbraw/zinc/80/48/58/864804858.db2.gz WXFHMWFAOKKKSC-UHFFFAOYSA-N 1 2 310.354 1.247 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158700902 864823522 /nfs/dbraw/zinc/82/35/22/864823522.db2.gz HIHJLHHKYVXIEW-LLVKDONJSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158700902 864823535 /nfs/dbraw/zinc/82/35/35/864823535.db2.gz HIHJLHHKYVXIEW-LLVKDONJSA-N 1 2 302.334 1.886 20 5 DDBDLO COc1cnc(NC2CN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001161320654 866528586 /nfs/dbraw/zinc/52/85/86/866528586.db2.gz MICQSEFMBGNILG-UHFFFAOYSA-N 1 2 301.306 1.694 20 5 DDBDLO CCN(CC[NH2+]Cc1ncoc1C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320735454 866992118 /nfs/dbraw/zinc/99/21/18/866992118.db2.gz YQOXHNZCTYDBRP-DGCLKSJQSA-N 1 2 324.381 1.401 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2C)C[NH2+]1 ZINC001164304795 869106835 /nfs/dbraw/zinc/10/68/35/869106835.db2.gz FLVRTJHGZBUDLQ-WPRPVWTQSA-N 1 2 324.293 1.127 20 5 DDBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227106123 882837234 /nfs/dbraw/zinc/83/72/34/882837234.db2.gz FRDJRXIILNYGPC-KOLSJAJHSA-N 1 2 322.277 1.081 20 5 DDBDLO C[N@H+]1[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227106123 882837251 /nfs/dbraw/zinc/83/72/51/882837251.db2.gz FRDJRXIILNYGPC-KOLSJAJHSA-N 1 2 322.277 1.081 20 5 DDBDLO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CCCC[NH2+]C2)[nH]1 ZINC001217971608 877359575 /nfs/dbraw/zinc/35/95/75/877359575.db2.gz WOGXCALCVWRJQS-JTQLQIEISA-N 1 2 304.306 1.765 20 5 DDBDLO O=C(Nc1cnccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354022962 877691081 /nfs/dbraw/zinc/69/10/81/877691081.db2.gz POHWRPRTTHBKSM-UHFFFAOYSA-N 1 2 310.273 1.823 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C ZINC001223431841 880958787 /nfs/dbraw/zinc/95/87/87/880958787.db2.gz TXXCOOHYJLIWMB-HONMWMINSA-N 1 2 308.334 1.918 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C[N@H+]1C ZINC001223431841 880958804 /nfs/dbraw/zinc/95/88/04/880958804.db2.gz TXXCOOHYJLIWMB-HONMWMINSA-N 1 2 308.334 1.918 20 5 DDBDLO COC(=O)c1cccc(OC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001227896004 883219302 /nfs/dbraw/zinc/21/93/02/883219302.db2.gz DRTIAIIKQNCNRO-JTQLQIEISA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1cccc(OC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001227896004 883219319 /nfs/dbraw/zinc/21/93/19/883219319.db2.gz DRTIAIIKQNCNRO-JTQLQIEISA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1cc(O[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001228769646 883661007 /nfs/dbraw/zinc/66/10/07/883661007.db2.gz WKDPWOVHDQHEMA-LLVKDONJSA-N 1 2 324.333 1.481 20 5 DDBDLO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@H+](C)CCO1 ZINC001230245885 884389635 /nfs/dbraw/zinc/38/96/35/884389635.db2.gz DZIYHFACCSTFKV-GFCCVEGCSA-N 1 2 309.322 1.263 20 5 DDBDLO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001230245885 884389651 /nfs/dbraw/zinc/38/96/51/884389651.db2.gz DZIYHFACCSTFKV-GFCCVEGCSA-N 1 2 309.322 1.263 20 5 DDBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[NH+]2CCOCC2)n1 ZINC001247456395 893198927 /nfs/dbraw/zinc/19/89/27/893198927.db2.gz WIISOWCFIGEFBR-UHFFFAOYSA-N 1 2 323.284 1.054 20 5 DDBDLO C[NH2+]Cc1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000414504332 530012532 /nfs/dbraw/zinc/01/25/32/530012532.db2.gz SBYUZHLVUAGIMM-UHFFFAOYSA-N 1 2 306.278 1.059 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000457867151 232145151 /nfs/dbraw/zinc/14/51/51/232145151.db2.gz WHTRWJFVEZLBJG-UHFFFAOYSA-N 1 2 318.289 1.030 20 5 DDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000029532113 352240608 /nfs/dbraw/zinc/24/06/08/352240608.db2.gz LEZUIXZBHYLTCL-LBPRGKRZSA-N 1 2 321.381 1.027 20 5 DDBDLO CC(C)(CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000044311991 352382891 /nfs/dbraw/zinc/38/28/91/352382891.db2.gz JTZYMPUDRQPMKN-UHFFFAOYSA-N 1 2 313.379 1.497 20 5 DDBDLO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000046885116 352467691 /nfs/dbraw/zinc/46/76/91/352467691.db2.gz VQESUSYAXNIBBA-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000046885114 352467730 /nfs/dbraw/zinc/46/77/30/352467730.db2.gz VQESUSYAXNIBBA-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000491416361 234163363 /nfs/dbraw/zinc/16/33/63/234163363.db2.gz MAPFTSPXHAHJCH-FWWRYZNZSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000491416361 234163364 /nfs/dbraw/zinc/16/33/64/234163364.db2.gz MAPFTSPXHAHJCH-FWWRYZNZSA-N 1 2 319.361 1.445 20 5 DDBDLO Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ncc1[N+](=O)[O-] ZINC000074766737 353329717 /nfs/dbraw/zinc/32/97/17/353329717.db2.gz RSEHYSHNALCHBV-LLVKDONJSA-N 1 2 321.406 1.912 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075531544 353366934 /nfs/dbraw/zinc/36/69/34/353366934.db2.gz ONQQYZIDFSRVRS-LLVKDONJSA-N 1 2 318.337 1.311 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000075588946 353369436 /nfs/dbraw/zinc/36/94/36/353369436.db2.gz GYRDJNXJZFUQEV-GFCCVEGCSA-N 1 2 306.366 1.955 20 5 DDBDLO Nc1nc(NCc2cccnc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000076267969 353409722 /nfs/dbraw/zinc/40/97/22/353409722.db2.gz RRLPIPFNYUNTSJ-UHFFFAOYSA-N 1 2 312.293 1.160 20 5 DDBDLO CCc1nn(C)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000091740402 353835364 /nfs/dbraw/zinc/83/53/64/353835364.db2.gz HXHDJIIRCYUPIV-GFCCVEGCSA-N 1 2 317.349 1.943 20 5 DDBDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000127284099 354063202 /nfs/dbraw/zinc/06/32/02/354063202.db2.gz VOGDJNMPSUBGJW-UHFFFAOYSA-N 1 2 320.349 1.006 20 5 DDBDLO O=C1NC[C@H]2C[N@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000255135537 354387704 /nfs/dbraw/zinc/38/77/04/354387704.db2.gz JCAUDTIQERJKEX-DXTPNHAXSA-N 1 2 302.334 1.317 20 5 DDBDLO O=C1NC[C@H]2C[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])CCN12 ZINC000255135537 354387706 /nfs/dbraw/zinc/38/77/06/354387706.db2.gz JCAUDTIQERJKEX-DXTPNHAXSA-N 1 2 302.334 1.317 20 5 DDBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000601310736 358490179 /nfs/dbraw/zinc/49/01/79/358490179.db2.gz SNJUQNJDAOFQIP-NSHDSACASA-N 1 2 323.324 1.281 20 5 DDBDLO Nc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587866560 354886229 /nfs/dbraw/zinc/88/62/29/354886229.db2.gz BCUHQJUVDJSFJM-GFCCVEGCSA-N 1 2 317.349 1.707 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494669435 235069067 /nfs/dbraw/zinc/06/90/67/235069067.db2.gz PBBPIDGUPDNDDM-LBPRGKRZSA-N 1 2 305.334 1.298 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494669435 235069071 /nfs/dbraw/zinc/06/90/71/235069071.db2.gz PBBPIDGUPDNDDM-LBPRGKRZSA-N 1 2 305.334 1.298 20 5 DDBDLO CC(C)(O)C1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590969268 355226512 /nfs/dbraw/zinc/22/65/12/355226512.db2.gz FBJYACNANFYAOU-UHFFFAOYSA-N 1 2 308.334 1.569 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593076964 355788240 /nfs/dbraw/zinc/78/82/40/355788240.db2.gz GTJMTYAWSIRYDE-UHFFFAOYSA-N 1 2 317.349 1.804 20 5 DDBDLO C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593907956 356053276 /nfs/dbraw/zinc/05/32/76/356053276.db2.gz WHYQQLNOBBOTJC-MRVPVSSYSA-N 1 2 316.745 1.171 20 5 DDBDLO Cn1cnnc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594022689 356091624 /nfs/dbraw/zinc/09/16/24/356091624.db2.gz MOKGOXLPZOPQSM-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nncn2C)CC1 ZINC000594022681 356091945 /nfs/dbraw/zinc/09/19/45/356091945.db2.gz MCMBSMZJKFGOAY-LBPRGKRZSA-N 1 2 316.365 1.607 20 5 DDBDLO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000595572690 356557894 /nfs/dbraw/zinc/55/78/94/356557894.db2.gz IAQHGIBOTGRWKZ-NSHDSACASA-N 1 2 317.349 1.931 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596431696 356877652 /nfs/dbraw/zinc/87/76/52/356877652.db2.gz PXBKWKUCWHAVQD-GHMZBOCLSA-N 1 2 311.386 1.641 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596431696 356877656 /nfs/dbraw/zinc/87/76/56/356877656.db2.gz PXBKWKUCWHAVQD-GHMZBOCLSA-N 1 2 311.386 1.641 20 5 DDBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596970452 357030273 /nfs/dbraw/zinc/03/02/73/357030273.db2.gz JXTWBVHLZHCROY-NSHDSACASA-N 1 2 300.318 1.739 20 5 DDBDLO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596970452 357030275 /nfs/dbraw/zinc/03/02/75/357030275.db2.gz JXTWBVHLZHCROY-NSHDSACASA-N 1 2 300.318 1.739 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597995010 357410478 /nfs/dbraw/zinc/41/04/78/357410478.db2.gz DDFOWIOTHOSNJG-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597995010 357410482 /nfs/dbraw/zinc/41/04/82/357410482.db2.gz DDFOWIOTHOSNJG-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000597996625 357411830 /nfs/dbraw/zinc/41/18/30/357411830.db2.gz KIZUAMGPEFHXOK-CHWSQXEVSA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000597996625 357411835 /nfs/dbraw/zinc/41/18/35/357411835.db2.gz KIZUAMGPEFHXOK-CHWSQXEVSA-N 1 2 321.377 1.363 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651735 357671376 /nfs/dbraw/zinc/67/13/76/357671376.db2.gz VIQJFMACWZHZMK-YPMHNXCESA-N 1 2 321.377 1.792 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651735 357671382 /nfs/dbraw/zinc/67/13/82/357671382.db2.gz VIQJFMACWZHZMK-YPMHNXCESA-N 1 2 321.377 1.792 20 5 DDBDLO Cc1c(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000598943878 357768856 /nfs/dbraw/zinc/76/88/56/357768856.db2.gz IPTQXDUKNAPSNI-LBPRGKRZSA-N 1 2 300.318 1.383 20 5 DDBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](CO)O1 ZINC000599068022 357806889 /nfs/dbraw/zinc/80/68/89/357806889.db2.gz ANKCHRHSUNCYEC-CMPLNLGQSA-N 1 2 303.318 1.729 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600423828 358216270 /nfs/dbraw/zinc/21/62/70/358216270.db2.gz HNPXANKUZSRBRY-NSHDSACASA-N 1 2 318.333 1.137 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600423828 358216274 /nfs/dbraw/zinc/21/62/74/358216274.db2.gz HNPXANKUZSRBRY-NSHDSACASA-N 1 2 318.333 1.137 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2[nH+]ccn21 ZINC000412404587 291142213 /nfs/dbraw/zinc/14/22/13/291142213.db2.gz VPBWMTVCWYCSJT-XVKPBYJWSA-N 1 2 303.278 1.328 20 5 DDBDLO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000602167814 358859693 /nfs/dbraw/zinc/85/96/93/358859693.db2.gz BRHZSJJMMOCEKI-NWDGAFQWSA-N 1 2 307.350 1.759 20 5 DDBDLO Cn1cc(C[N@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])n1 ZINC000602437648 358975576 /nfs/dbraw/zinc/97/55/76/358975576.db2.gz WPKHMBPMOGJLAT-UHFFFAOYSA-N 1 2 308.313 1.978 20 5 DDBDLO Cn1cc(C[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])n1 ZINC000602437648 358975582 /nfs/dbraw/zinc/97/55/82/358975582.db2.gz WPKHMBPMOGJLAT-UHFFFAOYSA-N 1 2 308.313 1.978 20 5 DDBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000602642345 359093479 /nfs/dbraw/zinc/09/34/79/359093479.db2.gz JTQOPTBNDAVMTP-FZMZJTMJSA-N 1 2 310.354 1.098 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000602642345 359093480 /nfs/dbraw/zinc/09/34/80/359093480.db2.gz JTQOPTBNDAVMTP-FZMZJTMJSA-N 1 2 310.354 1.098 20 5 DDBDLO Cn1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])n1 ZINC000602665771 359112200 /nfs/dbraw/zinc/11/22/00/359112200.db2.gz VGLMSLPXHNDEDJ-UHFFFAOYSA-N 1 2 316.317 1.702 20 5 DDBDLO Cn1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])n1 ZINC000602665771 359112202 /nfs/dbraw/zinc/11/22/02/359112202.db2.gz VGLMSLPXHNDEDJ-UHFFFAOYSA-N 1 2 316.317 1.702 20 5 DDBDLO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@H+](C)CCO1 ZINC000602575400 359051426 /nfs/dbraw/zinc/05/14/26/359051426.db2.gz HJBNSAKSFUQUQE-QMTHXVAHSA-N 1 2 320.349 1.545 20 5 DDBDLO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@@H+](C)CCO1 ZINC000602575400 359051429 /nfs/dbraw/zinc/05/14/29/359051429.db2.gz HJBNSAKSFUQUQE-QMTHXVAHSA-N 1 2 320.349 1.545 20 5 DDBDLO O=[N+]([O-])c1ncccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000603854539 359688109 /nfs/dbraw/zinc/68/81/09/359688109.db2.gz CRHGDUMPBXQYLA-AWEZNQCLSA-N 1 2 324.406 1.610 20 5 DDBDLO COc1ccc(CC(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000609131258 360262853 /nfs/dbraw/zinc/26/28/53/360262853.db2.gz PYZPSHYMDZLVND-UHFFFAOYSA-N 1 2 304.306 1.196 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cn[nH]c1 ZINC000610487313 360448831 /nfs/dbraw/zinc/44/88/31/360448831.db2.gz IBBNIQURMUWJPN-JTQLQIEISA-N 1 2 303.322 1.777 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cn[nH]c1 ZINC000610487313 360448834 /nfs/dbraw/zinc/44/88/34/360448834.db2.gz IBBNIQURMUWJPN-JTQLQIEISA-N 1 2 303.322 1.777 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000610991004 360593779 /nfs/dbraw/zinc/59/37/79/360593779.db2.gz XSKHXOZKSALABG-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000610991004 360593781 /nfs/dbraw/zinc/59/37/81/360593781.db2.gz XSKHXOZKSALABG-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000612104123 360921142 /nfs/dbraw/zinc/92/11/42/360921142.db2.gz CAFQKZNNNVDNCK-GFCCVEGCSA-N 1 2 318.333 1.116 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000612104123 360921146 /nfs/dbraw/zinc/92/11/46/360921146.db2.gz CAFQKZNNNVDNCK-GFCCVEGCSA-N 1 2 318.333 1.116 20 5 DDBDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000612345756 360978846 /nfs/dbraw/zinc/97/88/46/360978846.db2.gz JWZWLKXEMFLUIA-UHFFFAOYSA-N 1 2 301.306 1.890 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292722156 223217489 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DDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCn1cc[nH+]c1 ZINC000282537114 217070694 /nfs/dbraw/zinc/07/06/94/217070694.db2.gz HTELQWCXRWZIIU-UHFFFAOYSA-N 1 2 317.349 1.675 20 5 DDBDLO CC(C)(C(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265731419 204829416 /nfs/dbraw/zinc/82/94/16/204829416.db2.gz RYBOKFROQRDUKP-UHFFFAOYSA-N 1 2 321.377 1.321 20 5 DDBDLO Cc1c(NC(=O)N(C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000105350368 194099464 /nfs/dbraw/zinc/09/94/64/194099464.db2.gz FOJAKNXNMIFOSD-UHFFFAOYSA-N 1 2 322.365 1.699 20 5 DDBDLO COC[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000339000872 250241861 /nfs/dbraw/zinc/24/18/61/250241861.db2.gz OVOKMXBRLIFUCI-UONOGXRCSA-N 1 2 320.349 1.015 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000340428036 251060679 /nfs/dbraw/zinc/06/06/79/251060679.db2.gz JHQUMGCKQRYZOD-UHFFFAOYSA-N 1 2 314.345 1.881 20 5 DDBDLO COc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352527118 285116488 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DDBDLO Cc1ccc(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000568769491 304311587 /nfs/dbraw/zinc/31/15/87/304311587.db2.gz GURFZEKVCLLZSQ-UHFFFAOYSA-N 1 2 310.335 1.447 20 5 DDBDLO C[C@@H](CC(N)=O)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353396737 285706435 /nfs/dbraw/zinc/70/64/35/285706435.db2.gz VBCMECCJYPZAIX-HZMBPMFUSA-N 1 2 317.349 1.271 20 5 DDBDLO O=C1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000089892890 407156418 /nfs/dbraw/zinc/15/64/18/407156418.db2.gz IYVUTCZPIFZNPW-UHFFFAOYSA-N 1 2 316.317 1.572 20 5 DDBDLO O=C1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000089892890 407156422 /nfs/dbraw/zinc/15/64/22/407156422.db2.gz IYVUTCZPIFZNPW-UHFFFAOYSA-N 1 2 316.317 1.572 20 5 DDBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000106936826 407367731 /nfs/dbraw/zinc/36/77/31/407367731.db2.gz SEGRRBQSVBBCES-LBPRGKRZSA-N 1 2 304.306 1.866 20 5 DDBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000106936826 407367732 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COC(=O)c1cnc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190168754 408180524 /nfs/dbraw/zinc/18/05/24/408180524.db2.gz HGDQNNIDURRNNH-JTQLQIEISA-N 1 2 319.321 1.721 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000182846018 408262617 /nfs/dbraw/zinc/26/26/17/408262617.db2.gz LUKOUFRAVVRBRW-SUNKGSAMSA-N 1 2 307.350 1.539 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000182846018 408262624 /nfs/dbraw/zinc/26/26/24/408262624.db2.gz LUKOUFRAVVRBRW-SUNKGSAMSA-N 1 2 307.350 1.539 20 5 DDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000274223438 408330367 /nfs/dbraw/zinc/33/03/67/408330367.db2.gz OLNGENFHSMMBNC-LBPRGKRZSA-N 1 2 322.340 1.770 20 5 DDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000274223438 408330372 /nfs/dbraw/zinc/33/03/72/408330372.db2.gz OLNGENFHSMMBNC-LBPRGKRZSA-N 1 2 322.340 1.770 20 5 DDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263992423 408338629 /nfs/dbraw/zinc/33/86/29/408338629.db2.gz KNJMIXDYVKDRPM-UHFFFAOYSA-N 1 2 324.362 1.290 20 5 DDBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000274241618 408337025 /nfs/dbraw/zinc/33/70/25/408337025.db2.gz QULVJJGHWYTFGJ-LLVKDONJSA-N 1 2 310.379 1.692 20 5 DDBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000274241618 408337033 /nfs/dbraw/zinc/33/70/33/408337033.db2.gz QULVJJGHWYTFGJ-LLVKDONJSA-N 1 2 310.379 1.692 20 5 DDBDLO NC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177161835 408538823 /nfs/dbraw/zinc/53/88/23/408538823.db2.gz DYRNKUZORIBXDI-UHFFFAOYSA-N 1 2 319.321 1.369 20 5 DDBDLO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276221603 408825956 /nfs/dbraw/zinc/82/59/56/408825956.db2.gz LHFOKCYKDGALSN-LLVKDONJSA-N 1 2 313.379 1.504 20 5 DDBDLO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276221603 408825957 /nfs/dbraw/zinc/82/59/57/408825957.db2.gz LHFOKCYKDGALSN-LLVKDONJSA-N 1 2 313.379 1.504 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C[C@H]1C[N@H+](CCOC(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000800083937 700185495 /nfs/dbraw/zinc/18/54/95/700185495.db2.gz UILNSGVNNRRFHT-LBPRGKRZSA-N 1 2 308.334 1.401 20 5 DDBDLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000800083937 700185498 /nfs/dbraw/zinc/18/54/98/700185498.db2.gz UILNSGVNNRRFHT-LBPRGKRZSA-N 1 2 308.334 1.401 20 5 DDBDLO COc1c(C)c[nH+]c(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c1C ZINC000749941136 700193235 /nfs/dbraw/zinc/19/32/35/700193235.db2.gz HGONOAVALNGGGL-UHFFFAOYSA-N 1 2 319.321 1.577 20 5 DDBDLO CCN(CC)C(=O)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574783 698119495 /nfs/dbraw/zinc/11/94/95/698119495.db2.gz LNGGNFRFPIIFEH-AWEZNQCLSA-N 1 2 309.366 1.428 20 5 DDBDLO CCN(CC)C(=O)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574783 698119499 /nfs/dbraw/zinc/11/94/99/698119499.db2.gz LNGGNFRFPIIFEH-AWEZNQCLSA-N 1 2 309.366 1.428 20 5 DDBDLO CCC[N@@H+](CC(=O)OCC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579554 698120438 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CNc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802240461 700387719 /nfs/dbraw/zinc/38/77/19/700387719.db2.gz AFDOLWBZCGQWKU-LLVKDONJSA-N 1 2 311.313 1.837 20 5 DDBDLO CN(C)c1cc(COC(=O)c2nn(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC000755894649 700590278 /nfs/dbraw/zinc/59/02/78/700590278.db2.gz RZECKKAKYFDSRL-UHFFFAOYSA-N 1 2 305.294 1.146 20 5 DDBDLO COc1c(C)c[nH+]c(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC000765479465 701014727 /nfs/dbraw/zinc/01/47/27/701014727.db2.gz IHZPJNDUFIXHPC-UHFFFAOYSA-N 1 2 319.321 1.279 20 5 DDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804332677 701179227 /nfs/dbraw/zinc/17/92/27/701179227.db2.gz OZSYFZZFMLFJJW-SECBINFHSA-N 1 2 301.306 1.118 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892583 706598586 /nfs/dbraw/zinc/59/85/86/706598586.db2.gz XYNNCIPSPLEFKG-ZYHUDNBSSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892583 706598590 /nfs/dbraw/zinc/59/85/90/706598590.db2.gz XYNNCIPSPLEFKG-ZYHUDNBSSA-N 1 2 312.297 1.090 20 5 DDBDLO Cc1c(CNC(=O)/C=C/C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000867734085 701719982 /nfs/dbraw/zinc/71/99/82/701719982.db2.gz RGPZWEOGDRFSRY-ZZXKWVIFSA-N 1 2 319.361 1.408 20 5 DDBDLO CO[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840023765 701920066 /nfs/dbraw/zinc/92/00/66/701920066.db2.gz MBZFZSYCPHTCKC-UKRRQHHQSA-N 1 2 321.333 1.210 20 5 DDBDLO CO[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840023765 701920070 /nfs/dbraw/zinc/92/00/70/701920070.db2.gz MBZFZSYCPHTCKC-UKRRQHHQSA-N 1 2 321.333 1.210 20 5 DDBDLO CO[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840023768 701920338 /nfs/dbraw/zinc/92/03/38/701920338.db2.gz MBZFZSYCPHTCKC-ZFWWWQNUSA-N 1 2 321.333 1.210 20 5 DDBDLO CO[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840023768 701920341 /nfs/dbraw/zinc/92/03/41/701920341.db2.gz MBZFZSYCPHTCKC-ZFWWWQNUSA-N 1 2 321.333 1.210 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817368858 702357070 /nfs/dbraw/zinc/35/70/70/702357070.db2.gz VJESTYPFEKSJEE-LBPRGKRZSA-N 1 2 317.349 1.421 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817368858 702357075 /nfs/dbraw/zinc/35/70/75/702357075.db2.gz VJESTYPFEKSJEE-LBPRGKRZSA-N 1 2 317.349 1.421 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3nccnc3C2)c1 ZINC000852698114 704102223 /nfs/dbraw/zinc/10/22/23/704102223.db2.gz MGYPPJAVLZGFAS-OAHLLOKOSA-N 1 2 300.318 1.477 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3nccnc3C2)c1 ZINC000852698114 704102224 /nfs/dbraw/zinc/10/22/24/704102224.db2.gz MGYPPJAVLZGFAS-OAHLLOKOSA-N 1 2 300.318 1.477 20 5 DDBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCC[N+](=O)[O-] ZINC000860918508 705318981 /nfs/dbraw/zinc/31/89/81/705318981.db2.gz KOOSIQSIXCNGHT-UHFFFAOYSA-N 1 2 303.318 1.684 20 5 DDBDLO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872082659 707288649 /nfs/dbraw/zinc/28/86/49/707288649.db2.gz ZGUNTTMWHNFRHW-SCZZXKLOSA-N 1 2 309.297 1.532 20 5 DDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(COC2)CC1=O ZINC000872610769 707511853 /nfs/dbraw/zinc/51/18/53/707511853.db2.gz UBMHYQRDQWCLDO-UHFFFAOYSA-N 1 2 319.361 1.276 20 5 DDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CC2(COC2)CC1=O ZINC000872610769 707511858 /nfs/dbraw/zinc/51/18/58/707511858.db2.gz UBMHYQRDQWCLDO-UHFFFAOYSA-N 1 2 319.361 1.276 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)OCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000837699136 707720148 /nfs/dbraw/zinc/72/01/48/707720148.db2.gz MQZAHESSGHOICB-UHFFFAOYSA-N 1 2 307.310 1.574 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898482431 708652263 /nfs/dbraw/zinc/65/22/63/708652263.db2.gz CBUDTVTWKXWBGS-CYBMUJFWSA-N 1 2 309.341 1.687 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898482431 708652264 /nfs/dbraw/zinc/65/22/64/708652264.db2.gz CBUDTVTWKXWBGS-CYBMUJFWSA-N 1 2 309.341 1.687 20 5 DDBDLO O=C(N[C@]12C[C@H]1COC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000894180192 711002518 /nfs/dbraw/zinc/00/25/18/711002518.db2.gz KWPPMVFNOSJPAJ-NHYWBVRUSA-N 1 2 314.301 1.299 20 5 DDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1OC ZINC000895800662 711609071 /nfs/dbraw/zinc/60/90/71/711609071.db2.gz DVBVMDYWAKYKFB-NSHDSACASA-N 1 2 310.354 1.521 20 5 DDBDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000914432055 713394949 /nfs/dbraw/zinc/39/49/49/713394949.db2.gz IWYYCLUMCLAQID-PHIMTYICSA-N 1 2 315.333 1.390 20 5 DDBDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000914432055 713394950 /nfs/dbraw/zinc/39/49/50/713394950.db2.gz IWYYCLUMCLAQID-PHIMTYICSA-N 1 2 315.333 1.390 20 5 DDBDLO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000914736923 713400501 /nfs/dbraw/zinc/40/05/01/713400501.db2.gz XILHZFWHYKWIME-IRBQFCFKSA-N 1 2 319.361 1.445 20 5 DDBDLO CCOc1cc(C[N@@H+]2C3CCC2(C(N)=O)CC3)ccc1[N+](=O)[O-] ZINC000932934160 714440292 /nfs/dbraw/zinc/44/02/92/714440292.db2.gz FHPXMUGZDRQLHO-UHFFFAOYSA-N 1 2 319.361 1.976 20 5 DDBDLO CCOc1cc(C[N@H+]2C3CCC2(C(N)=O)CC3)ccc1[N+](=O)[O-] ZINC000932934160 714440296 /nfs/dbraw/zinc/44/02/96/714440296.db2.gz FHPXMUGZDRQLHO-UHFFFAOYSA-N 1 2 319.361 1.976 20 5 DDBDLO COC(=O)c1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)on1 ZINC001207150469 733540796 /nfs/dbraw/zinc/54/07/96/733540796.db2.gz GXBMIFAYDDSEKV-UHFFFAOYSA-N 1 2 305.290 1.968 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001168441607 744870978 /nfs/dbraw/zinc/87/09/78/744870978.db2.gz AESRLYGUXXIVGX-UHFFFAOYSA-N 1 2 308.338 1.275 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107311225 749781872 /nfs/dbraw/zinc/78/18/72/749781872.db2.gz BKGOGJJDJFVVGI-UPHRSURJSA-N 1 2 316.321 1.040 20 5 DDBDLO COc1ccc(C[C@H](C)[NH+]2CC(N(C)C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170348549 766278649 /nfs/dbraw/zinc/27/86/49/766278649.db2.gz YGVDQPBVDOZQAG-NSHDSACASA-N 1 2 321.377 1.697 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093777082 775101009 /nfs/dbraw/zinc/10/10/09/775101009.db2.gz UXRFGWVESBTXGS-UHFFFAOYSA-N 1 2 321.312 1.536 20 5 DDBDLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173233966 777064790 /nfs/dbraw/zinc/06/47/90/777064790.db2.gz NFOIEUVKUWSQOI-SWLSCSKDSA-N 1 2 322.361 1.790 20 5 DDBDLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173233966 777064796 /nfs/dbraw/zinc/06/47/96/777064796.db2.gz NFOIEUVKUWSQOI-SWLSCSKDSA-N 1 2 322.361 1.790 20 5 DDBDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001175828523 777917527 /nfs/dbraw/zinc/91/75/27/777917527.db2.gz BIBSMBHJOGAUPA-GFCCVEGCSA-N 1 2 304.306 1.350 20 5 DDBDLO CC(=O)N(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001102409683 778121923 /nfs/dbraw/zinc/12/19/23/778121923.db2.gz OZIZWXANAFZDDB-UHFFFAOYSA-N 1 2 324.356 1.334 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001155874021 862526768 /nfs/dbraw/zinc/52/67/68/862526768.db2.gz SYZXAAZYLQFROH-LLVKDONJSA-N 1 2 322.365 1.018 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158702108 864825792 /nfs/dbraw/zinc/82/57/92/864825792.db2.gz NFGJBSLWMDGPMG-NSHDSACASA-N 1 2 303.322 1.281 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158702108 864825802 /nfs/dbraw/zinc/82/58/02/864825802.db2.gz NFGJBSLWMDGPMG-NSHDSACASA-N 1 2 303.322 1.281 20 5 DDBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001161950379 867133551 /nfs/dbraw/zinc/13/35/51/867133551.db2.gz NUYJVFKBIFCBST-SNVBAGLBSA-N 1 2 304.306 1.445 20 5 DDBDLO CC[NH+]1CC(Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449458 883024364 /nfs/dbraw/zinc/02/43/64/883024364.db2.gz QYGNKKYWDVWBDG-UHFFFAOYSA-N 1 2 312.325 1.614 20 5 DDBDLO CC[NH+](CC)C[C@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227624998 883109012 /nfs/dbraw/zinc/10/90/12/883109012.db2.gz LUPCQTHPJMVAKG-QMMMGPOBSA-N 1 2 316.383 1.921 20 5 DDBDLO COC(=O)c1cccc(OC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001227896006 883220177 /nfs/dbraw/zinc/22/01/77/883220177.db2.gz DRTIAIIKQNCNRO-SNVBAGLBSA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1cccc(OC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001227896006 883220196 /nfs/dbraw/zinc/22/01/96/883220196.db2.gz DRTIAIIKQNCNRO-SNVBAGLBSA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(OC2C[NH+](C(C)(C)C)C2)cc1O ZINC001228812915 883685005 /nfs/dbraw/zinc/68/50/05/883685005.db2.gz ZJWSTRWKEITYTQ-UHFFFAOYSA-N 1 2 324.333 1.949 20 5 DDBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001254550560 896498252 /nfs/dbraw/zinc/49/82/52/896498252.db2.gz LSQIVHBUAWKOPN-HOCLYGCPSA-N 1 2 319.405 1.932 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCN(C(C)=O)CC2)c1 ZINC000266422627 282302340 /nfs/dbraw/zinc/30/23/40/282302340.db2.gz SERSDTAAXAFPGF-UHFFFAOYSA-N 1 2 322.365 1.179 20 5 DDBDLO Cc1n[nH]c(C(=O)NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000354067059 290890571 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CNc1c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361209129 418605496 /nfs/dbraw/zinc/60/54/96/418605496.db2.gz DEFGSBVYIQFPCH-LLVKDONJSA-N 1 2 322.365 1.087 20 5 DDBDLO CNc1c(C(=O)NCC[N@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361209129 418605498 /nfs/dbraw/zinc/60/54/98/418605498.db2.gz DEFGSBVYIQFPCH-LLVKDONJSA-N 1 2 322.365 1.087 20 5 DDBDLO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881547 418651519 /nfs/dbraw/zinc/65/15/19/418651519.db2.gz SDLZOKVFIWHHNH-WDEREUQCSA-N 1 2 305.342 1.318 20 5 DDBDLO C[C@@H](c1nncn1C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367881547 418651523 /nfs/dbraw/zinc/65/15/23/418651523.db2.gz SDLZOKVFIWHHNH-WDEREUQCSA-N 1 2 305.342 1.318 20 5 DDBDLO Cc1nc(N(C)C)nc(NCc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000341582504 418625529 /nfs/dbraw/zinc/62/55/29/418625529.db2.gz HTRIRTYQMZKADF-UHFFFAOYSA-N 1 2 322.756 2.420 20 5 DDBDLO Cc1nc(NCc2ccc([N+](=O)[O-])cc2Cl)nc(N(C)C)[nH+]1 ZINC000341582504 418625531 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420804828 /nfs/dbraw/zinc/80/48/28/420804828.db2.gz RVBYAVWOYBKXLM-WBMJQRKESA-N 1 2 321.377 1.244 20 5 DDBDLO COC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448741964 420891502 /nfs/dbraw/zinc/89/15/02/420891502.db2.gz UPRSXBKTXWMDDH-LLVKDONJSA-N 1 2 318.333 1.887 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)nc1 ZINC000545083150 421235909 /nfs/dbraw/zinc/23/59/09/421235909.db2.gz AYVWSNLNUXRWAO-LBPRGKRZSA-N 1 2 317.305 1.576 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)nc1 ZINC000545083150 421235912 /nfs/dbraw/zinc/23/59/12/421235912.db2.gz AYVWSNLNUXRWAO-LBPRGKRZSA-N 1 2 317.305 1.576 20 5 DDBDLO Cc1cccc(C(=O)NCc2c[nH+]c(C)nc2N)c1[N+](=O)[O-] ZINC000552018367 421566403 /nfs/dbraw/zinc/56/64/03/421566403.db2.gz JUGQDTRSDUVYLG-UHFFFAOYSA-N 1 2 301.306 1.514 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(Cc2noc(Cn3cc[nH+]c3)n2)c1 ZINC000580985715 421876762 /nfs/dbraw/zinc/87/67/62/421876762.db2.gz IJLJGDDECZDDSO-UHFFFAOYSA-N 1 2 315.289 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DDBDLO CC(C)CNC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364333359 300378310 /nfs/dbraw/zinc/37/83/10/300378310.db2.gz BNHTYKWOVTVXSH-GFCCVEGCSA-N 1 2 309.370 1.200 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000364500262 300405838 /nfs/dbraw/zinc/40/58/38/300405838.db2.gz BWZPLQXRFMSKHN-CYBMUJFWSA-N 1 2 314.345 1.773 20 5 DDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000519774184 302853965 /nfs/dbraw/zinc/85/39/65/302853965.db2.gz MNTLXVSPPVYTNX-PBINXNQUSA-N 1 2 319.317 1.054 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551849395 303639397 /nfs/dbraw/zinc/63/93/97/303639397.db2.gz ACGOQYFBPWLMAO-UHFFFAOYSA-N 1 2 316.361 1.965 20 5 DDBDLO C[C@@H](O)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000360109371 306973607 /nfs/dbraw/zinc/97/36/07/306973607.db2.gz FZKNFSAGBSSLAU-GFCCVEGCSA-N 1 2 309.366 1.244 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365191329 307061517 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CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001333578868 866856609 /nfs/dbraw/zinc/85/66/09/866856609.db2.gz HJPFEVPISORDMQ-LLVKDONJSA-N 1 2 313.379 1.276 20 5 DDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001333578868 866856621 /nfs/dbraw/zinc/85/66/21/866856621.db2.gz HJPFEVPISORDMQ-LLVKDONJSA-N 1 2 313.379 1.276 20 5 DDBDLO C[NH+](C)Cc1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001304116661 871191631 /nfs/dbraw/zinc/19/16/31/871191631.db2.gz KKMNTJNAHICGBE-UHFFFAOYSA-N 1 2 318.333 1.503 20 5 DDBDLO Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)cc([N+](=O)[O-])c1 ZINC001350262585 875602155 /nfs/dbraw/zinc/60/21/55/875602155.db2.gz PRZIONLWVPBSKV-UHFFFAOYSA-N 1 2 308.338 1.045 20 5 DDBDLO Cc1nonc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001357958959 880264660 /nfs/dbraw/zinc/26/46/60/880264660.db2.gz ROIGOYOCSAXOMC-UHFFFAOYSA-N 1 2 314.261 1.724 20 5 DDBDLO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1[nH]cc([N+](=O)[O-])c3ncnc1-3)C2 ZINC001227692958 883136395 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Cc1c(C(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000046887270 352469134 /nfs/dbraw/zinc/46/91/34/352469134.db2.gz QEKOGPHBXCTMTJ-LLVKDONJSA-N 1 2 307.350 1.354 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])NCCNc1cccc[nH+]1 ZINC000063707297 352920647 /nfs/dbraw/zinc/92/06/47/352920647.db2.gz MESDPNZMYQDQIT-UHFFFAOYSA-N 1 2 316.317 1.597 20 5 DDBDLO CN(C)C(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000071948471 353194380 /nfs/dbraw/zinc/19/43/80/353194380.db2.gz CSDCFMZRLWDZOK-UHFFFAOYSA-N 1 2 322.365 1.273 20 5 DDBDLO COC(=O)[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000081152585 353653502 /nfs/dbraw/zinc/65/35/02/353653502.db2.gz GXXGGHGGDWEQKD-HNNXBMFYSA-N 1 2 308.334 1.905 20 5 DDBDLO COc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000279974957 354419369 /nfs/dbraw/zinc/41/93/69/354419369.db2.gz QODZKCIBGNPAPF-UHFFFAOYSA-N 1 2 304.306 1.576 20 5 DDBDLO COc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000279974957 354419370 /nfs/dbraw/zinc/41/93/70/354419370.db2.gz QODZKCIBGNPAPF-UHFFFAOYSA-N 1 2 304.306 1.576 20 5 DDBDLO O=[N+]([O-])c1cc2c(cc1CN1CCn3c[nH+]cc3C1)OCCO2 ZINC000589518375 354999003 /nfs/dbraw/zinc/99/90/03/354999003.db2.gz MEYYVMLFOJOMCQ-UHFFFAOYSA-N 1 2 316.317 1.578 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000590602316 355127955 /nfs/dbraw/zinc/12/79/55/355127955.db2.gz VQPIUPPQWGGYCJ-JTQLQIEISA-N 1 2 315.333 1.703 20 5 DDBDLO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108882 356116383 /nfs/dbraw/zinc/11/63/83/356116383.db2.gz ZJSJMMUPFOMFAE-UPJWGTAASA-N 1 2 321.377 1.822 20 5 DDBDLO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108882 356116385 /nfs/dbraw/zinc/11/63/85/356116385.db2.gz ZJSJMMUPFOMFAE-UPJWGTAASA-N 1 2 321.377 1.822 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595506653 356523214 /nfs/dbraw/zinc/52/32/14/356523214.db2.gz FLGRIFFGYMBLDT-GFCCVEGCSA-N 1 2 310.354 1.188 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595506653 356523216 /nfs/dbraw/zinc/52/32/16/356523216.db2.gz FLGRIFFGYMBLDT-GFCCVEGCSA-N 1 2 310.354 1.188 20 5 DDBDLO Cc1noc(CN2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595506653 356523217 /nfs/dbraw/zinc/52/32/17/356523217.db2.gz FLGRIFFGYMBLDT-GFCCVEGCSA-N 1 2 310.354 1.188 20 5 DDBDLO CN(Cc1c[nH+]c[nH]1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595590630 356565543 /nfs/dbraw/zinc/56/55/43/356565543.db2.gz AAKQOSWJLIPPIE-CQSZACIVSA-N 1 2 315.333 1.555 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000595823892 356665125 /nfs/dbraw/zinc/66/51/25/356665125.db2.gz SGVRNHRABAEEJI-SNVBAGLBSA-N 1 2 311.342 1.079 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000595823892 356665128 /nfs/dbraw/zinc/66/51/28/356665128.db2.gz SGVRNHRABAEEJI-SNVBAGLBSA-N 1 2 311.342 1.079 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)n1 ZINC000595885790 356691211 /nfs/dbraw/zinc/69/12/11/356691211.db2.gz JFHCAURAPLDEAZ-VIFPVBQESA-N 1 2 308.260 1.445 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)n1 ZINC000595885790 356691214 /nfs/dbraw/zinc/69/12/14/356691214.db2.gz JFHCAURAPLDEAZ-VIFPVBQESA-N 1 2 308.260 1.445 20 5 DDBDLO Nc1[nH+]cccc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000596304460 356852188 /nfs/dbraw/zinc/85/21/88/356852188.db2.gz NHQCDCLMRCWANG-UHFFFAOYSA-N 1 2 300.318 1.661 20 5 DDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(CO)(CO)C3)c2c1 ZINC000596506503 356900239 /nfs/dbraw/zinc/90/02/39/356900239.db2.gz SPTVNAHDFDXHQR-UHFFFAOYSA-N 1 2 303.318 1.324 20 5 DDBDLO CC1(C)COCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597616528 357255829 /nfs/dbraw/zinc/25/58/29/357255829.db2.gz GVTRYKZZPFHWTH-UHFFFAOYSA-N 1 2 316.317 1.989 20 5 DDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598739210 357710544 /nfs/dbraw/zinc/71/05/44/357710544.db2.gz VDCYCUMANFUXFZ-SNVBAGLBSA-N 1 2 306.326 1.275 20 5 DDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000598940865 357766557 /nfs/dbraw/zinc/76/65/57/357766557.db2.gz AZTOHAWXOJCZCK-VIFPVBQESA-N 1 2 318.358 1.868 20 5 DDBDLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598950881 357774347 /nfs/dbraw/zinc/77/43/47/357774347.db2.gz VKYIDYXJRJEOKN-GFCCVEGCSA-N 1 2 300.318 1.845 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000599161078 357833178 /nfs/dbraw/zinc/83/31/78/357833178.db2.gz RTEWXYBYQOSWSB-LLVKDONJSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000599161078 357833181 /nfs/dbraw/zinc/83/31/81/357833181.db2.gz RTEWXYBYQOSWSB-LLVKDONJSA-N 1 2 302.334 1.886 20 5 DDBDLO COC(=O)c1cc(NC[C@@H]2COCC[N@@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000599161961 357834693 /nfs/dbraw/zinc/83/46/93/357834693.db2.gz ZHJMYRHPCXKHMP-GFCCVEGCSA-N 1 2 323.349 1.432 20 5 DDBDLO COC(=O)c1cc(NC[C@@H]2COCC[N@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000599161961 357834696 /nfs/dbraw/zinc/83/46/96/357834696.db2.gz ZHJMYRHPCXKHMP-GFCCVEGCSA-N 1 2 323.349 1.432 20 5 DDBDLO COC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179392885 199027529 /nfs/dbraw/zinc/02/75/29/199027529.db2.gz YLKLWTOAFVMJAK-UHFFFAOYSA-N 1 2 318.333 1.600 20 5 DDBDLO COC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179392885 199027531 /nfs/dbraw/zinc/02/75/31/199027531.db2.gz YLKLWTOAFVMJAK-UHFFFAOYSA-N 1 2 318.333 1.600 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000599423426 357928757 /nfs/dbraw/zinc/92/87/57/357928757.db2.gz XDPQNZJBYLMNJO-UHFFFAOYSA-N 1 2 316.317 1.663 20 5 DDBDLO COc1ccc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000599771421 358054562 /nfs/dbraw/zinc/05/45/62/358054562.db2.gz WWOVLHCJKBJEEG-LLVKDONJSA-N 1 2 324.337 1.056 20 5 DDBDLO COc1ccc(NC(=O)NC[C@@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000599771421 358054567 /nfs/dbraw/zinc/05/45/67/358054567.db2.gz WWOVLHCJKBJEEG-LLVKDONJSA-N 1 2 324.337 1.056 20 5 DDBDLO Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000600109966 358125319 /nfs/dbraw/zinc/12/53/19/358125319.db2.gz UEOXYPNFLPAAPJ-UHFFFAOYSA-N 1 2 303.322 1.608 20 5 DDBDLO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000601209869 358449035 /nfs/dbraw/zinc/44/90/35/358449035.db2.gz IHPUDDXGRHKYGG-JTQLQIEISA-N 1 2 306.297 1.997 20 5 DDBDLO CC[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1CC(F)F ZINC000602479532 359006063 /nfs/dbraw/zinc/00/60/63/359006063.db2.gz NDPSIRVZJLMYTQ-NSHDSACASA-N 1 2 317.340 1.490 20 5 DDBDLO CC[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1CC(F)F ZINC000602479532 359006069 /nfs/dbraw/zinc/00/60/69/359006069.db2.gz NDPSIRVZJLMYTQ-NSHDSACASA-N 1 2 317.340 1.490 20 5 DDBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000348213058 283418972 /nfs/dbraw/zinc/41/89/72/283418972.db2.gz VMRMLSCCLNFYMF-CQSZACIVSA-N 1 2 321.333 1.465 20 5 DDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(CC(F)(F)CO)CC2)c1 ZINC000602875580 359258448 /nfs/dbraw/zinc/25/84/48/359258448.db2.gz QLRYEKRXZZNLSP-UHFFFAOYSA-N 1 2 315.320 1.340 20 5 DDBDLO COCC[N@H+](C)Cc1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603205459 359479730 /nfs/dbraw/zinc/47/97/30/359479730.db2.gz CMJNIQGSFQNGET-UHFFFAOYSA-N 1 2 311.367 1.374 20 5 DDBDLO COCC[N@@H+](C)Cc1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603205459 359479734 /nfs/dbraw/zinc/47/97/34/359479734.db2.gz CMJNIQGSFQNGET-UHFFFAOYSA-N 1 2 311.367 1.374 20 5 DDBDLO O=[N+]([O-])c1ccc(CCn2cc[nH+]c2CN2CCOCC2)cc1 ZINC000603420764 359629710 /nfs/dbraw/zinc/62/97/10/359629710.db2.gz OZXVNMJPCDQQCI-UHFFFAOYSA-N 1 2 316.361 1.866 20 5 DDBDLO CCCc1n[nH]c(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609993963 360370857 /nfs/dbraw/zinc/37/08/57/360370857.db2.gz GCIHCXLNKJXPIV-UHFFFAOYSA-N 1 2 304.310 1.164 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609993963 360370863 /nfs/dbraw/zinc/37/08/63/360370863.db2.gz GCIHCXLNKJXPIV-UHFFFAOYSA-N 1 2 304.310 1.164 20 5 DDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581074 360476114 /nfs/dbraw/zinc/47/61/14/360476114.db2.gz GQDDYCNOJMHPPW-GFCCVEGCSA-N 1 2 318.333 1.837 20 5 DDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581074 360476116 /nfs/dbraw/zinc/47/61/16/360476116.db2.gz GQDDYCNOJMHPPW-GFCCVEGCSA-N 1 2 318.333 1.837 20 5 DDBDLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OC ZINC000611271910 360685094 /nfs/dbraw/zinc/68/50/94/360685094.db2.gz LQUZXRCHGCDHKB-UHFFFAOYSA-N 1 2 306.322 1.967 20 5 DDBDLO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OC ZINC000611271910 360685099 /nfs/dbraw/zinc/68/50/99/360685099.db2.gz LQUZXRCHGCDHKB-UHFFFAOYSA-N 1 2 306.322 1.967 20 5 DDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCC1 ZINC000611289614 360690264 /nfs/dbraw/zinc/69/02/64/360690264.db2.gz VLVSIIPSOWNIMG-UHFFFAOYSA-N 1 2 319.361 1.466 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194921763 201311809 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CCn1nccc1C[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000355475675 410537731 /nfs/dbraw/zinc/53/77/31/410537731.db2.gz RWZFQYNFFJGZQR-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO CCn1nccc1C[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000355475675 410537738 /nfs/dbraw/zinc/53/77/38/410537738.db2.gz RWZFQYNFFJGZQR-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000301196548 410674833 /nfs/dbraw/zinc/67/48/33/410674833.db2.gz KDVLKHXTGHVECE-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)CCC2 ZINC000337329578 410716318 /nfs/dbraw/zinc/71/63/18/410716318.db2.gz ZVIHSGGYZCCPGF-SNVBAGLBSA-N 1 2 303.322 1.735 20 5 DDBDLO C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000343962676 410852537 /nfs/dbraw/zinc/85/25/37/410852537.db2.gz CIKUMOOFHITJJN-IUCAKERBSA-N 1 2 319.408 1.417 20 5 DDBDLO C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000343962676 410852540 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O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCn2nccc21 ZINC000375601251 418660281 /nfs/dbraw/zinc/66/02/81/418660281.db2.gz UEHFWLGQBFSMRV-UHFFFAOYSA-N 1 2 324.300 1.637 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000408019811 418781558 /nfs/dbraw/zinc/78/15/58/418781558.db2.gz FXHQOYGLIKKHTE-GJZGRUSLSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000408019811 418781559 /nfs/dbraw/zinc/78/15/59/418781559.db2.gz FXHQOYGLIKKHTE-GJZGRUSLSA-N 1 2 319.361 1.448 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067307 418785074 /nfs/dbraw/zinc/78/50/74/418785074.db2.gz BNZRVIHDUNNBKK-VHSXEESVSA-N 1 2 309.370 1.606 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067307 418785077 /nfs/dbraw/zinc/78/50/77/418785077.db2.gz BNZRVIHDUNNBKK-VHSXEESVSA-N 1 2 309.370 1.606 20 5 DDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCn2c[nH+]cc2C1 ZINC000365689932 418893915 /nfs/dbraw/zinc/89/39/15/418893915.db2.gz VPIFVKUQHDVELD-UHFFFAOYSA-N 1 2 312.289 1.324 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428011003 419788567 /nfs/dbraw/zinc/78/85/67/419788567.db2.gz YRAKPLFVTBRRND-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000431565289 229041957 /nfs/dbraw/zinc/04/19/57/229041957.db2.gz PAEGUYYVZSGUAC-UHFFFAOYSA-N 1 2 323.330 1.477 20 5 DDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299677136 229325662 /nfs/dbraw/zinc/32/56/62/229325662.db2.gz QVGSDVPVWLGMJG-NSHDSACASA-N 1 2 304.310 1.268 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000416539837 420412595 /nfs/dbraw/zinc/41/25/95/420412595.db2.gz ZXFMKGOEDCLOGZ-UHFFFAOYSA-N 1 2 324.362 1.158 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447661380 420790838 /nfs/dbraw/zinc/79/08/38/420790838.db2.gz VRVHXMAIGTXBLJ-NSHDSACASA-N 1 2 322.365 1.091 20 5 DDBDLO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459798935 420876637 /nfs/dbraw/zinc/87/66/37/420876637.db2.gz UYAGBXJQKOLBJA-NSHDSACASA-N 1 2 317.349 1.642 20 5 DDBDLO COC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448741965 420891346 /nfs/dbraw/zinc/89/13/46/420891346.db2.gz UPRSXBKTXWMDDH-NSHDSACASA-N 1 2 318.333 1.887 20 5 DDBDLO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC000449648863 421045618 /nfs/dbraw/zinc/04/56/18/421045618.db2.gz UUKGPSFUEKABMY-NSHDSACASA-N 1 2 313.304 1.878 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449524823 421020789 /nfs/dbraw/zinc/02/07/89/421020789.db2.gz ALFYWPFBIZMEKQ-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449524823 421020795 /nfs/dbraw/zinc/02/07/95/421020795.db2.gz ALFYWPFBIZMEKQ-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO Nc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000552022772 421568673 /nfs/dbraw/zinc/56/86/73/421568673.db2.gz HSDLORFZDKPTTC-UHFFFAOYSA-N 1 2 320.378 1.351 20 5 DDBDLO Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1[N+](=O)[O-] ZINC000552189123 421578881 /nfs/dbraw/zinc/57/88/81/421578881.db2.gz OJGITMTVWCFBHW-UHFFFAOYSA-N 1 2 301.306 1.514 20 5 DDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH+]cn1C ZINC000554823755 421663153 /nfs/dbraw/zinc/66/31/53/421663153.db2.gz JYTHTQIRBJKRQG-UHFFFAOYSA-N 1 2 302.334 1.572 20 5 DDBDLO O=[N+]([O-])c1ccsc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000611411959 422477681 /nfs/dbraw/zinc/47/76/81/422477681.db2.gz KFPFBFSIXNFSBD-UHFFFAOYSA-N 1 2 323.378 1.929 20 5 DDBDLO O=C1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)c[nH+]2)CCN1 ZINC000344422088 272022028 /nfs/dbraw/zinc/02/20/28/272022028.db2.gz PXCLGSQSKCYTQV-UHFFFAOYSA-N 1 2 314.305 1.065 20 5 DDBDLO COCC[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330603309 277225338 /nfs/dbraw/zinc/22/53/38/277225338.db2.gz FWVJCJABPQDUIN-GFCCVEGCSA-N 1 2 309.366 1.453 20 5 DDBDLO 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DDBDLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364360010 300383448 /nfs/dbraw/zinc/38/34/48/300383448.db2.gz KWHWDYJPGIAVHK-LBPRGKRZSA-N 1 2 318.337 1.242 20 5 DDBDLO CCCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974340 301249718 /nfs/dbraw/zinc/24/97/18/301249718.db2.gz OMEPIGIONDRZCP-GFCCVEGCSA-N 1 2 309.370 1.345 20 5 DDBDLO CCCCNC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974340 301249720 /nfs/dbraw/zinc/24/97/20/301249720.db2.gz OMEPIGIONDRZCP-GFCCVEGCSA-N 1 2 309.370 1.345 20 5 DDBDLO O=[N+]([O-])c1cccnc1NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370573203 301367664 /nfs/dbraw/zinc/36/76/64/301367664.db2.gz ANLNJMYKLBEAKR-HNNXBMFYSA-N 1 2 322.365 1.283 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378309818 302310706 /nfs/dbraw/zinc/31/07/06/302310706.db2.gz IOHWFWITZWHJEW-JTQLQIEISA-N 1 2 316.317 1.370 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378309818 302310708 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/nfs/dbraw/zinc/47/75/64/359477564.db2.gz NGSFSHWOICWHDG-UHFFFAOYSA-N 1 2 323.328 1.452 20 5 DDBDLO COCC[N@@H+](C)Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203297 359477569 /nfs/dbraw/zinc/47/75/69/359477569.db2.gz NGSFSHWOICWHDG-UHFFFAOYSA-N 1 2 323.328 1.452 20 5 DDBDLO O=[N+]([O-])c1cccc(F)c1Cn1cc[nH+]c1CN1CCOCC1 ZINC000603423856 359631889 /nfs/dbraw/zinc/63/18/89/359631889.db2.gz RTRQMEJMRUUHNP-UHFFFAOYSA-N 1 2 320.324 1.811 20 5 DDBDLO Cc1n[nH]c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000604550592 359765123 /nfs/dbraw/zinc/76/51/23/359765123.db2.gz HQLDVCYHJQVNAE-UHFFFAOYSA-N 1 2 315.333 1.372 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000348412114 283500147 /nfs/dbraw/zinc/50/01/47/283500147.db2.gz ZPSBSEFMYYGZFW-UHFFFAOYSA-N 1 2 316.365 1.041 20 5 DDBDLO COc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000608778055 360241064 /nfs/dbraw/zinc/24/10/64/360241064.db2.gz TTXSXHIXGXTCDH-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000608778055 360241067 /nfs/dbraw/zinc/24/10/67/360241067.db2.gz TTXSXHIXGXTCDH-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609477085 360311872 /nfs/dbraw/zinc/31/18/72/360311872.db2.gz KDVGLMIIPYMJND-SNVBAGLBSA-N 1 2 318.337 1.554 20 5 DDBDLO CCc1[nH]nc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609477085 360311877 /nfs/dbraw/zinc/31/18/77/360311877.db2.gz KDVGLMIIPYMJND-SNVBAGLBSA-N 1 2 318.337 1.554 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000610922589 360572580 /nfs/dbraw/zinc/57/25/80/360572580.db2.gz DLHDVBYTSREKBV-UHFFFAOYSA-N 1 2 304.310 1.335 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000610922589 360572585 /nfs/dbraw/zinc/57/25/85/360572585.db2.gz DLHDVBYTSREKBV-UHFFFAOYSA-N 1 2 304.310 1.335 20 5 DDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611555894 360757689 /nfs/dbraw/zinc/75/76/89/360757689.db2.gz CIMDLFKWFZVBTO-GFCCVEGCSA-N 1 2 316.317 1.974 20 5 DDBDLO Cc1c(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000264599942 204019619 /nfs/dbraw/zinc/01/96/19/204019619.db2.gz BHGXGTJOXGTKNZ-GFCCVEGCSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1c(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000264599942 204019623 /nfs/dbraw/zinc/01/96/23/204019623.db2.gz BHGXGTJOXGTKNZ-GFCCVEGCSA-N 1 2 321.381 1.271 20 5 DDBDLO O=C(NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])s1 ZINC000264800518 204166856 /nfs/dbraw/zinc/16/68/56/204166856.db2.gz MVUDRVWQYJYLMD-UHFFFAOYSA-N 1 2 301.393 1.435 20 5 DDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000266285136 205239493 /nfs/dbraw/zinc/23/94/93/205239493.db2.gz HOHFPDNTCIVDNP-UHFFFAOYSA-N 1 2 303.322 1.333 20 5 DDBDLO Cc1ccc(NC(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000105347704 194099003 /nfs/dbraw/zinc/09/90/03/194099003.db2.gz WJZVKPNJMMGVQY-UHFFFAOYSA-N 1 2 322.365 1.699 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000159394735 197350714 /nfs/dbraw/zinc/35/07/14/197350714.db2.gz HTJIRPYVYSPWPA-LBPRGKRZSA-N 1 2 319.361 1.858 20 5 DDBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000109620839 194277970 /nfs/dbraw/zinc/27/79/70/194277970.db2.gz YOOPVXWZQOZJLN-UHFFFAOYSA-N 1 2 307.354 1.191 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000109620839 194277971 /nfs/dbraw/zinc/27/79/71/194277971.db2.gz YOOPVXWZQOZJLN-UHFFFAOYSA-N 1 2 307.354 1.191 20 5 DDBDLO COCC(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052933838 183880662 /nfs/dbraw/zinc/88/06/62/183880662.db2.gz QPVAAHNMQLYIIL-GFCCVEGCSA-N 1 2 307.350 1.446 20 5 DDBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000340681802 251163111 /nfs/dbraw/zinc/16/31/11/251163111.db2.gz HILMCOVQYSOLAH-UHFFFAOYSA-N 1 2 303.322 1.428 20 5 DDBDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000352408206 285030941 /nfs/dbraw/zinc/03/09/41/285030941.db2.gz XOVJLPKSKMSGLO-AWEZNQCLSA-N 1 2 319.361 1.846 20 5 DDBDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000352408206 285030943 /nfs/dbraw/zinc/03/09/43/285030943.db2.gz XOVJLPKSKMSGLO-AWEZNQCLSA-N 1 2 319.361 1.846 20 5 DDBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1COC[C@@H]1O ZINC000352801187 285310828 /nfs/dbraw/zinc/31/08/28/285310828.db2.gz JILHQIWMYRRXOY-KBPBESRZSA-N 1 2 319.317 1.441 20 5 DDBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1COC[C@@H]1O ZINC000352801187 285310831 /nfs/dbraw/zinc/31/08/31/285310831.db2.gz JILHQIWMYRRXOY-KBPBESRZSA-N 1 2 319.317 1.441 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2[nH+]ccn21 ZINC000456364655 533636662 /nfs/dbraw/zinc/63/66/62/533636662.db2.gz GCAHKSSEVZCBSI-GMSGAONNSA-N 1 2 319.296 1.948 20 5 DDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539973 406949175 /nfs/dbraw/zinc/94/91/75/406949175.db2.gz JSULITLOJCMDJW-LLVKDONJSA-N 1 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ZINC000151747416 407489419 /nfs/dbraw/zinc/48/94/19/407489419.db2.gz YBDZEGBWNVESLK-UONOGXRCSA-N 1 2 305.334 1.058 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000195314730 407449275 /nfs/dbraw/zinc/44/92/75/407449275.db2.gz AEAIJTVRTVAKMO-UHFFFAOYSA-N 1 2 307.350 1.389 20 5 DDBDLO COc1cc(N(C)CC[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000271120119 407526181 /nfs/dbraw/zinc/52/61/81/407526181.db2.gz XTLIMEQWAGBPBU-UHFFFAOYSA-N 1 2 313.329 1.511 20 5 DDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000114858072 407629550 /nfs/dbraw/zinc/62/95/50/407629550.db2.gz CQFODMBKAGCYSF-AWEZNQCLSA-N 1 2 305.334 1.188 20 5 DDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000114858072 407629561 /nfs/dbraw/zinc/62/95/61/407629561.db2.gz CQFODMBKAGCYSF-AWEZNQCLSA-N 1 2 305.334 1.188 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000266971754 407699564 /nfs/dbraw/zinc/69/95/64/407699564.db2.gz MFKOXGHRDQXDIU-UHFFFAOYSA-N 1 2 303.322 1.622 20 5 DDBDLO Cc1nn(C)c(C(=O)NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000131021680 407719151 /nfs/dbraw/zinc/71/91/51/407719151.db2.gz ZAPNRMOEPKLHTM-UHFFFAOYSA-N 1 2 320.353 1.419 20 5 DDBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CCC1 ZINC000153387592 407813398 /nfs/dbraw/zinc/81/33/98/407813398.db2.gz ZFFQCBIQTCHNDY-UHFFFAOYSA-N 1 2 303.362 1.869 20 5 DDBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CCC1 ZINC000153387592 407813402 /nfs/dbraw/zinc/81/34/02/407813402.db2.gz ZFFQCBIQTCHNDY-UHFFFAOYSA-N 1 2 303.362 1.869 20 5 DDBDLO Cc1cccn2cc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])[nH+]c12 ZINC000153797580 407903793 /nfs/dbraw/zinc/90/37/93/407903793.db2.gz WKPACXSUAGQNHV-UHFFFAOYSA-N 1 2 300.278 1.204 20 5 DDBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181120198 407958744 /nfs/dbraw/zinc/95/87/44/407958744.db2.gz DRNBFAJRKVIJER-UHFFFAOYSA-N 1 2 317.349 1.960 20 5 DDBDLO O=C1OCC[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248146 407923809 /nfs/dbraw/zinc/92/38/09/407923809.db2.gz JVASTPTYHUQPAY-AWEZNQCLSA-N 1 2 306.318 1.754 20 5 DDBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000246691976 408318545 /nfs/dbraw/zinc/31/85/45/408318545.db2.gz JODZZDRDUYNTDN-UWVGGRQHSA-N 1 2 313.379 1.183 20 5 DDBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000246691976 408318549 /nfs/dbraw/zinc/31/85/49/408318549.db2.gz JODZZDRDUYNTDN-UWVGGRQHSA-N 1 2 313.379 1.183 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131425783 162015097 /nfs/dbraw/zinc/01/50/97/162015097.db2.gz KZJXMXMKKPHZMZ-UHFFFAOYSA-N 1 2 322.365 1.428 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131425783 162015100 /nfs/dbraw/zinc/01/51/00/162015100.db2.gz KZJXMXMKKPHZMZ-UHFFFAOYSA-N 1 2 322.365 1.428 20 5 DDBDLO COc1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173953198 162380609 /nfs/dbraw/zinc/38/06/09/162380609.db2.gz IZLJKNFXBJRSFE-AWEZNQCLSA-N 1 2 321.377 1.510 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(O)CC1 ZINC000177334741 408581980 /nfs/dbraw/zinc/58/19/80/408581980.db2.gz RKOJJYVDIGXWJN-NSHDSACASA-N 1 2 307.350 1.769 20 5 DDBDLO O=C1OCC[C@]12CCC[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000249533124 408739019 /nfs/dbraw/zinc/73/90/19/408739019.db2.gz BNKFAZAFZWCIOC-DZGCQCFKSA-N 1 2 306.318 1.410 20 5 DDBDLO O=C1OCC[C@]12CCC[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000249533124 408739026 /nfs/dbraw/zinc/73/90/26/408739026.db2.gz BNKFAZAFZWCIOC-DZGCQCFKSA-N 1 2 306.318 1.410 20 5 DDBDLO Cc1nn(C)c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000194702545 408793268 /nfs/dbraw/zinc/79/32/68/408793268.db2.gz XSSZEMCGBRMVRE-JTQLQIEISA-N 1 2 318.337 1.727 20 5 DDBDLO Nc1c(C(=O)NCc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000178067425 408768124 /nfs/dbraw/zinc/76/81/24/408768124.db2.gz PZBFOCOORJUHLE-UHFFFAOYSA-N 1 2 311.301 1.755 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)s1 ZINC000191091879 163172758 /nfs/dbraw/zinc/17/27/58/163172758.db2.gz ZYPSTYIPVODBLZ-UHFFFAOYSA-N 1 2 317.392 1.125 20 5 DDBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277602209 408975021 /nfs/dbraw/zinc/97/50/21/408975021.db2.gz XPZAUOMWVFSTPS-DAKYAEBGSA-N 1 2 312.391 1.329 20 5 DDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277602209 408975023 /nfs/dbraw/zinc/97/50/23/408975023.db2.gz XPZAUOMWVFSTPS-DAKYAEBGSA-N 1 2 312.391 1.329 20 5 DDBDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000277653789 408985526 /nfs/dbraw/zinc/98/55/26/408985526.db2.gz DEIJXFFJMHMJTH-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000277653789 408985528 /nfs/dbraw/zinc/98/55/28/408985528.db2.gz DEIJXFFJMHMJTH-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCNC1=O ZINC000282257879 409020568 /nfs/dbraw/zinc/02/05/68/409020568.db2.gz GWXHGZRRGVONGC-CYBMUJFWSA-N 1 2 320.349 1.052 20 5 DDBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCNC1=O ZINC000282257879 409020572 /nfs/dbraw/zinc/02/05/72/409020572.db2.gz GWXHGZRRGVONGC-CYBMUJFWSA-N 1 2 320.349 1.052 20 5 DDBDLO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000282417281 409051100 /nfs/dbraw/zinc/05/11/00/409051100.db2.gz GLYOXTYLDZZSOL-JTQLQIEISA-N 1 2 311.363 1.626 20 5 DDBDLO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000282417281 409051103 /nfs/dbraw/zinc/05/11/03/409051103.db2.gz GLYOXTYLDZZSOL-JTQLQIEISA-N 1 2 311.363 1.626 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279386036 409203869 /nfs/dbraw/zinc/20/38/69/409203869.db2.gz TYJJOOSAJDBZRE-MEBBXXQBSA-N 1 2 319.361 1.693 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279386036 409203871 /nfs/dbraw/zinc/20/38/71/409203871.db2.gz TYJJOOSAJDBZRE-MEBBXXQBSA-N 1 2 319.361 1.693 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374372182 164172404 /nfs/dbraw/zinc/17/24/04/164172404.db2.gz NVPFYJYUJMTBKV-LLVKDONJSA-N 1 2 302.290 1.370 20 5 DDBDLO Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000338118451 409730360 /nfs/dbraw/zinc/73/03/60/409730360.db2.gz LEDBWUOVTYRXNT-SNVBAGLBSA-N 1 2 316.321 1.030 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H](C)C1 ZINC000332282853 410038731 /nfs/dbraw/zinc/03/87/31/410038731.db2.gz DUIHMBQYLGYEBK-RYUDHWBXSA-N 1 2 307.350 1.890 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](C)C1 ZINC000332282853 410038735 /nfs/dbraw/zinc/03/87/35/410038735.db2.gz DUIHMBQYLGYEBK-RYUDHWBXSA-N 1 2 307.350 1.890 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)CC(F)(F)F)CC2 ZINC000332697313 410217383 /nfs/dbraw/zinc/21/73/83/410217383.db2.gz SVNYIARIJQBYFF-SNVBAGLBSA-N 1 2 305.256 1.661 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)CC(F)(F)F)CC2 ZINC000332697313 410217386 /nfs/dbraw/zinc/21/73/86/410217386.db2.gz SVNYIARIJQBYFF-SNVBAGLBSA-N 1 2 305.256 1.661 20 5 DDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000343365022 410398563 /nfs/dbraw/zinc/39/85/63/410398563.db2.gz QSQXGTYDNPWGCJ-AWEZNQCLSA-N 1 2 323.324 1.327 20 5 DDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000343365022 410398568 /nfs/dbraw/zinc/39/85/68/410398568.db2.gz QSQXGTYDNPWGCJ-AWEZNQCLSA-N 1 2 323.324 1.327 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000347592776 410624910 /nfs/dbraw/zinc/62/49/10/410624910.db2.gz RJNOXSKOUHMMBW-OAHLLOKOSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000347592776 410624917 /nfs/dbraw/zinc/62/49/17/410624917.db2.gz RJNOXSKOUHMMBW-OAHLLOKOSA-N 1 2 321.377 1.364 20 5 DDBDLO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352956299 410699798 /nfs/dbraw/zinc/69/97/98/410699798.db2.gz LBHLDINZVFHWBY-NSHDSACASA-N 1 2 305.334 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ZINC000134427284 196390678 /nfs/dbraw/zinc/39/06/78/196390678.db2.gz PAALQURBTBAJFQ-KBPBESRZSA-N 1 2 320.349 1.450 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000366912538 418536235 /nfs/dbraw/zinc/53/62/35/418536235.db2.gz PGZRAXNJEDNGKW-UPJWGTAASA-N 1 2 309.753 1.478 20 5 DDBDLO Cc1cnc(N2CC[NH+](Cc3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000361270213 299831628 /nfs/dbraw/zinc/83/16/28/299831628.db2.gz CWAPLAQHYKFNEY-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCCCNc2cccc[nH+]2)n1 ZINC000191819761 222109508 /nfs/dbraw/zinc/10/95/08/222109508.db2.gz MLJFMOLNFPINHE-UHFFFAOYSA-N 1 2 318.337 1.438 20 5 DDBDLO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389692 418633241 /nfs/dbraw/zinc/63/32/41/418633241.db2.gz HBJXHLVADUHQJZ-DGCLKSJQSA-N 1 2 310.354 1.770 20 5 DDBDLO CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389692 418633243 /nfs/dbraw/zinc/63/32/43/418633243.db2.gz 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CC(=O)N[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420945522 419375815 /nfs/dbraw/zinc/37/58/15/419375815.db2.gz AWJQRNSFUZQUFH-JTQLQIEISA-N 1 2 303.322 1.182 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420945522 419375821 /nfs/dbraw/zinc/37/58/21/419375821.db2.gz AWJQRNSFUZQUFH-JTQLQIEISA-N 1 2 303.322 1.182 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCOCC1 ZINC000421738869 419704486 /nfs/dbraw/zinc/70/44/86/419704486.db2.gz XBPLNDGDEFWSEY-UHFFFAOYSA-N 1 2 307.350 1.274 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000428344029 419852127 /nfs/dbraw/zinc/85/21/27/419852127.db2.gz AGZXRTGAELECCV-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC000459672817 420844216 /nfs/dbraw/zinc/84/42/16/420844216.db2.gz GSSKGUHLHWENMV-BXKDBHETSA-N 1 2 320.267 1.399 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC000459672817 420844218 /nfs/dbraw/zinc/84/42/18/420844218.db2.gz GSSKGUHLHWENMV-BXKDBHETSA-N 1 2 320.267 1.399 20 5 DDBDLO C[C@@H](CCCO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813036 420804763 /nfs/dbraw/zinc/80/47/63/420804763.db2.gz PLZRQVSTSGIKJD-ZDUSSCGKSA-N 1 2 323.393 2.000 20 5 DDBDLO COCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448713149 420888100 /nfs/dbraw/zinc/88/81/00/420888100.db2.gz KKICVWSYUIPURZ-UHFFFAOYSA-N 1 2 318.333 1.937 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449743806 421072289 /nfs/dbraw/zinc/07/22/89/421072289.db2.gz BHFMMGVBEWIAPD-NSHDSACASA-N 1 2 312.395 1.892 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449743806 421072291 /nfs/dbraw/zinc/07/22/91/421072291.db2.gz BHFMMGVBEWIAPD-NSHDSACASA-N 1 2 312.395 1.892 20 5 DDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000456346455 421145898 /nfs/dbraw/zinc/14/58/98/421145898.db2.gz HEUOKMAWZAIELQ-SECBINFHSA-N 1 2 303.322 1.884 20 5 DDBDLO CCC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450169033 421156035 /nfs/dbraw/zinc/15/60/35/421156035.db2.gz PSLABMGQNZGYIP-GFCCVEGCSA-N 1 2 318.333 1.671 20 5 DDBDLO CC(=O)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450307397 421180558 /nfs/dbraw/zinc/18/05/58/421180558.db2.gz XVQYZGNFYGXCLR-JTQLQIEISA-N 1 2 316.317 1.878 20 5 DDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)CCC2 ZINC000450404813 421193810 /nfs/dbraw/zinc/19/38/10/421193810.db2.gz NSCRRLACIZZVGH-LLVKDONJSA-N 1 2 302.338 2.188 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000545789005 421264288 /nfs/dbraw/zinc/26/42/88/421264288.db2.gz MTPHCSLIFMNSAF-GFCCVEGCSA-N 1 2 319.321 1.519 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000545789005 421264291 /nfs/dbraw/zinc/26/42/91/421264291.db2.gz MTPHCSLIFMNSAF-GFCCVEGCSA-N 1 2 319.321 1.519 20 5 DDBDLO O=C1CCCN1CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000562070108 421340816 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C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075939509 406947544 /nfs/dbraw/zinc/94/75/44/406947544.db2.gz BMBMNCVNFGTTPA-LLVKDONJSA-N 1 2 307.350 1.905 20 5 DDBDLO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000078510795 407031344 /nfs/dbraw/zinc/03/13/44/407031344.db2.gz WFBRGGGUZGDFDK-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CO)CC1 ZINC000052807569 407157395 /nfs/dbraw/zinc/15/73/95/407157395.db2.gz BNTNEUAOHPXIKG-UHFFFAOYSA-N 1 2 323.349 1.246 20 5 DDBDLO CC[C@@](C)(CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125680089 407395513 /nfs/dbraw/zinc/39/55/13/407395513.db2.gz PQRRNULNDUKKLV-HNNXBMFYSA-N 1 2 318.333 1.671 20 5 DDBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000170629451 407460102 /nfs/dbraw/zinc/46/01/02/407460102.db2.gz RHAHUQRUWUPHEG-UHFFFAOYSA-N 1 2 307.350 1.435 20 5 DDBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000170629451 407460106 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CC(C)CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000187075828 407817185 /nfs/dbraw/zinc/81/71/85/407817185.db2.gz JMRYGMRDAWAWAH-UHFFFAOYSA-N 1 2 305.378 1.938 20 5 DDBDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000118866214 407957631 /nfs/dbraw/zinc/95/76/31/407957631.db2.gz OHLIQZFGUOTNTF-KOLCDFICSA-N 1 2 318.337 1.929 20 5 DDBDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000118866214 407957634 /nfs/dbraw/zinc/95/76/34/407957634.db2.gz OHLIQZFGUOTNTF-KOLCDFICSA-N 1 2 318.337 1.929 20 5 DDBDLO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272483774 407944206 /nfs/dbraw/zinc/94/42/06/407944206.db2.gz BIYDQVLGFTVKTK-JTQLQIEISA-N 1 2 318.333 1.871 20 5 DDBDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246493280 408273283 /nfs/dbraw/zinc/27/32/83/408273283.db2.gz NTHMAQRKEIGDHE-JTNHKYCSSA-N 1 2 308.334 1.918 20 5 DDBDLO COC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246493280 408273288 /nfs/dbraw/zinc/27/32/88/408273288.db2.gz NTHMAQRKEIGDHE-JTNHKYCSSA-N 1 2 308.334 1.918 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269378004 408287930 /nfs/dbraw/zinc/28/79/30/408287930.db2.gz OECUZJVBZIIZFU-SECBINFHSA-N 1 2 306.326 1.456 20 5 DDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000183584478 408446585 /nfs/dbraw/zinc/44/65/85/408446585.db2.gz LXEVTQQSIVOFHK-NSHDSACASA-N 1 2 316.321 1.883 20 5 DDBDLO Cn1c2ccccc2nc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000177193337 408548671 /nfs/dbraw/zinc/54/86/71/408548671.db2.gz BPEYRDKZSFEGPH-UHFFFAOYSA-N 1 2 314.349 1.810 20 5 DDBDLO Cn1c2ccccc2nc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000177193337 408548674 /nfs/dbraw/zinc/54/86/74/408548674.db2.gz BPEYRDKZSFEGPH-UHFFFAOYSA-N 1 2 314.349 1.810 20 5 DDBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161249944 408578813 /nfs/dbraw/zinc/57/88/13/408578813.db2.gz YHOHUOYAHZKMOQ-CYBMUJFWSA-N 1 2 312.329 1.999 20 5 DDBDLO NC(=O)c1ccc(C[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000185077570 408752180 /nfs/dbraw/zinc/75/21/80/408752180.db2.gz WXTYIFVFAWEREG-LBPRGKRZSA-N 1 2 319.317 1.500 20 5 DDBDLO CC[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000249699165 408756547 /nfs/dbraw/zinc/75/65/47/408756547.db2.gz WSMVRVBBLCIGSJ-UHFFFAOYSA-N 1 2 303.322 1.249 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000280860313 408847815 /nfs/dbraw/zinc/84/78/15/408847815.db2.gz BCKBZUIVWUXOEG-ZJUUUORDSA-N 1 2 305.334 1.655 20 5 DDBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000282119379 408994792 /nfs/dbraw/zinc/99/47/92/408994792.db2.gz JJUVHMGSFFSJGA-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000282119379 408994795 /nfs/dbraw/zinc/99/47/95/408994795.db2.gz JJUVHMGSFFSJGA-NSHDSACASA-N 1 2 320.349 1.086 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000283980891 409251869 /nfs/dbraw/zinc/25/18/69/409251869.db2.gz HJVHWGRADARSSY-UONOGXRCSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000283980891 409251872 /nfs/dbraw/zinc/25/18/72/409251872.db2.gz HJVHWGRADARSSY-UONOGXRCSA-N 1 2 319.361 1.448 20 5 DDBDLO O=C(NOCC1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000293881923 409200059 /nfs/dbraw/zinc/20/00/59/409200059.db2.gz XUJOKTWCKNOGLY-UHFFFAOYSA-N 1 2 302.290 1.852 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284165507 409288556 /nfs/dbraw/zinc/28/85/56/409288556.db2.gz RGBIZRVBLYMUCG-GJZGRUSLSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284165507 409288557 /nfs/dbraw/zinc/28/85/57/409288557.db2.gz RGBIZRVBLYMUCG-GJZGRUSLSA-N 1 2 319.361 1.448 20 5 DDBDLO NC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284349454 409330640 /nfs/dbraw/zinc/33/06/40/409330640.db2.gz 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310.354 1.772 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000366910012 418536496 /nfs/dbraw/zinc/53/64/96/418536496.db2.gz ITDCZFOEFJGCFF-RAIGVLPGSA-N 1 2 309.753 1.478 20 5 DDBDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367040909 418554195 /nfs/dbraw/zinc/55/41/95/418554195.db2.gz OKQOYHUKSWANJT-MRVWCRGKSA-N 1 2 324.381 1.344 20 5 DDBDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367040909 418554198 /nfs/dbraw/zinc/55/41/98/418554198.db2.gz OKQOYHUKSWANJT-MRVWCRGKSA-N 1 2 324.381 1.344 20 5 DDBDLO COCC[C@H]1COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291282838 222284098 /nfs/dbraw/zinc/28/40/98/222284098.db2.gz QNOXEGVIPIEMTL-GJZGRUSLSA-N 1 2 310.350 1.366 20 5 DDBDLO COCC[C@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291282838 222284100 /nfs/dbraw/zinc/28/41/00/222284100.db2.gz QNOXEGVIPIEMTL-GJZGRUSLSA-N 1 2 310.350 1.366 20 5 DDBDLO 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ZINC000361506883 418665160 /nfs/dbraw/zinc/66/51/60/418665160.db2.gz BSODHWIWIIRLNH-BLLLJJGKSA-N 1 2 322.361 1.983 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371361769 418783238 /nfs/dbraw/zinc/78/32/38/418783238.db2.gz SRFMKPBCFKHJAQ-GFCCVEGCSA-N 1 2 314.345 1.924 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371361769 418783241 /nfs/dbraw/zinc/78/32/41/418783241.db2.gz SRFMKPBCFKHJAQ-GFCCVEGCSA-N 1 2 314.345 1.924 20 5 DDBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411883488 419450895 /nfs/dbraw/zinc/45/08/95/419450895.db2.gz ZHTQXKTZCUSANC-HNNXBMFYSA-N 1 2 319.361 1.695 20 5 DDBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411883488 419450902 /nfs/dbraw/zinc/45/09/02/419450902.db2.gz ZHTQXKTZCUSANC-HNNXBMFYSA-N 1 2 319.361 1.695 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000420472275 420306891 /nfs/dbraw/zinc/30/68/91/420306891.db2.gz 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O=C(C[N@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451440217 534547583 /nfs/dbraw/zinc/54/75/83/534547583.db2.gz WSAVAIUKIQFJHH-ZDUSSCGKSA-N 1 2 315.276 1.235 20 5 DDBDLO O=C(C[N@@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451440217 534547586 /nfs/dbraw/zinc/54/75/86/534547586.db2.gz WSAVAIUKIQFJHH-ZDUSSCGKSA-N 1 2 315.276 1.235 20 5 DDBDLO CC(C)(C(=O)NCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000429843687 527521561 /nfs/dbraw/zinc/52/15/61/527521561.db2.gz UMCWGJRIDSJYME-UHFFFAOYSA-N 1 2 302.334 1.885 20 5 DDBDLO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799169429 700125993 /nfs/dbraw/zinc/12/59/93/700125993.db2.gz JIJHVHVOBARURR-FZMZJTMJSA-N 1 2 310.350 1.902 20 5 DDBDLO CC[C@H](C)[N@H+](CC(=O)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799169429 700125996 /nfs/dbraw/zinc/12/59/96/700125996.db2.gz JIJHVHVOBARURR-FZMZJTMJSA-N 1 2 310.350 1.902 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000981138682 697016164 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308.334 1.907 20 5 DDBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840159925 702002818 /nfs/dbraw/zinc/00/28/18/702002818.db2.gz MXOACUKXJOTMNI-AWEZNQCLSA-N 1 2 310.354 1.803 20 5 DDBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840159925 702002825 /nfs/dbraw/zinc/00/28/25/702002825.db2.gz MXOACUKXJOTMNI-AWEZNQCLSA-N 1 2 310.354 1.803 20 5 DDBDLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851402492 703798027 /nfs/dbraw/zinc/79/80/27/703798027.db2.gz YELYLVNNKVGUBZ-CHWSQXEVSA-N 1 2 305.334 1.506 20 5 DDBDLO Cc1nn(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000853603733 704283662 /nfs/dbraw/zinc/28/36/62/704283662.db2.gz VACOWVXLBUANKY-GFCCVEGCSA-N 1 2 309.370 1.294 20 5 DDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000853603733 704283664 /nfs/dbraw/zinc/28/36/64/704283664.db2.gz VACOWVXLBUANKY-GFCCVEGCSA-N 1 2 309.370 1.294 20 5 DDBDLO CN(C)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1c[nH+]cn1C 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1.055 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000862971107 705839960 /nfs/dbraw/zinc/83/99/60/705839960.db2.gz JFWMNJUMJPFCML-BTKRWWFXSA-N 1 2 305.334 1.055 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865496679 706446912 /nfs/dbraw/zinc/44/69/12/706446912.db2.gz XACJHMXJYHLRAG-SNVBAGLBSA-N 1 2 313.329 1.359 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865496679 706446914 /nfs/dbraw/zinc/44/69/14/706446914.db2.gz XACJHMXJYHLRAG-SNVBAGLBSA-N 1 2 313.329 1.359 20 5 DDBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000878752273 706488678 /nfs/dbraw/zinc/48/86/78/706488678.db2.gz KKMOKANWXVFEFM-NWJSVONSSA-N 1 2 321.377 1.568 20 5 DDBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000878752273 706488679 /nfs/dbraw/zinc/48/86/79/706488679.db2.gz KKMOKANWXVFEFM-NWJSVONSSA-N 1 2 321.377 1.568 20 5 DDBDLO CCn1c[nH+]c2c1CCN(c1ccc3ncc([N+](=O)[O-])n3n1)C2 ZINC000896661026 708111046 /nfs/dbraw/zinc/11/10/46/708111046.db2.gz XOEVDDANAVZWOA-UHFFFAOYSA-N 1 2 313.321 1.417 20 5 DDBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886358317 708748880 /nfs/dbraw/zinc/74/88/80/708748880.db2.gz SOXWUZYLPPHGIQ-BXUZGUMPSA-N 1 2 310.350 1.832 20 5 DDBDLO O=c1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc[nH]1 ZINC000894836859 711291249 /nfs/dbraw/zinc/29/12/49/711291249.db2.gz ROYKQCYLOOLSFC-UHFFFAOYSA-N 1 2 301.302 1.959 20 5 DDBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn(C4CC4)nn3)CC2)n1 ZINC000906302966 712291196 /nfs/dbraw/zinc/29/11/96/712291196.db2.gz RUOZJMKHFKMIQR-UHFFFAOYSA-N 1 2 317.353 1.555 20 5 DDBDLO COC1(OC)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1O ZINC000931640793 714147015 /nfs/dbraw/zinc/14/70/15/714147015.db2.gz RSMYHCPQFOEPQD-CYBMUJFWSA-N 1 2 314.313 1.290 20 5 DDBDLO COC1(OC)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1O ZINC000931640793 714147016 /nfs/dbraw/zinc/14/70/16/714147016.db2.gz RSMYHCPQFOEPQD-CYBMUJFWSA-N 1 2 314.313 1.290 20 5 DDBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000931665968 714155285 /nfs/dbraw/zinc/15/52/85/714155285.db2.gz FNCQIYVMVIRDLL-CYBMUJFWSA-N 1 2 314.313 1.602 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934210702 714767235 /nfs/dbraw/zinc/76/72/35/714767235.db2.gz VDGDLIMFAZUFER-IUODEOHRSA-N 1 2 315.329 1.822 20 5 DDBDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984409 762152238 /nfs/dbraw/zinc/15/22/38/762152238.db2.gz MQNOQILCTQAHBG-YUELXQCFSA-N 1 2 321.377 1.591 20 5 DDBDLO CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)Cn1cc[nH+]c1 ZINC001109472440 763740823 /nfs/dbraw/zinc/74/08/23/763740823.db2.gz MVRHTLOUUFKORO-UHFFFAOYSA-N 1 2 318.337 1.147 20 5 DDBDLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173220390 777052520 /nfs/dbraw/zinc/05/25/20/777052520.db2.gz ZSHMEDQFUHWELF-LBPRGKRZSA-N 1 2 322.361 1.838 20 5 DDBDLO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC001101672171 777374471 /nfs/dbraw/zinc/37/44/71/777374471.db2.gz ZPGOCUDAQLFILV-UHFFFAOYSA-N 1 2 303.322 1.362 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001119959122 781698648 /nfs/dbraw/zinc/69/86/48/781698648.db2.gz MTPYBXLDDZMWBC-WCQYABFASA-N 1 2 322.365 1.298 20 5 DDBDLO Cc1ncc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001160723299 866067367 /nfs/dbraw/zinc/06/73/67/866067367.db2.gz KSSGQFGUCDIGTC-NEPJUHHUSA-N 1 2 307.354 1.358 20 5 DDBDLO CCOC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001161082295 866360998 /nfs/dbraw/zinc/36/09/98/866360998.db2.gz SDIOWALFHMQCEY-UHFFFAOYSA-N 1 2 322.365 1.738 20 5 DDBDLO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001324470603 867296204 /nfs/dbraw/zinc/29/62/04/867296204.db2.gz CYMJJWPCBCTLFP-RISCZKNCSA-N 1 2 318.333 1.277 20 5 DDBDLO COc1cccc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC001338084764 869791409 /nfs/dbraw/zinc/79/14/09/869791409.db2.gz SFRITYOSQOMIAC-DGCLKSJQSA-N 1 2 308.382 1.650 20 5 DDBDLO COc1cccc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC001338084764 869791412 /nfs/dbraw/zinc/79/14/12/869791412.db2.gz SFRITYOSQOMIAC-DGCLKSJQSA-N 1 2 308.382 1.650 20 5 DDBDLO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1[nH]ncc1F ZINC001166112102 869842547 /nfs/dbraw/zinc/84/25/47/869842547.db2.gz WBBKJWVHCUGQPU-UHFFFAOYSA-N 1 2 321.312 1.367 20 5 DDBDLO COc1cc(C(=O)NCCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC001349648750 875283995 /nfs/dbraw/zinc/28/39/95/875283995.db2.gz BRLPZSLASYITQS-UHFFFAOYSA-N 1 2 304.306 1.309 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[NH+]1CCC(CO)CC1 ZINC001358241232 880378265 /nfs/dbraw/zinc/37/82/65/880378265.db2.gz WOJLTXJBGOMLCA-UHFFFAOYSA-N 1 2 321.377 1.854 20 5 DDBDLO CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001291721867 913561892 /nfs/dbraw/zinc/56/18/92/913561892.db2.gz KICLIWGRNBCAQS-UHFFFAOYSA-N 1 2 318.289 1.073 20 5 DDBDLO COC(=O)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596062 896522054 /nfs/dbraw/zinc/52/20/54/896522054.db2.gz BJPCWWGUWUFUAE-AWEZNQCLSA-N 1 2 305.334 1.446 20 5 DDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H](C)[NH+]1CCOCC1 ZINC001293144743 914279688 /nfs/dbraw/zinc/27/96/88/914279688.db2.gz KKIVOGBGJBWVKB-MNOVXSKESA-N 1 2 322.365 1.016 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2nncc2C1 ZINC000579241205 422733065 /nfs/dbraw/zinc/73/30/65/422733065.db2.gz FOGVXILAKJGNTD-UHFFFAOYSA-N 1 2 317.349 1.989 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2nncc2C1 ZINC000579241205 422733069 /nfs/dbraw/zinc/73/30/69/422733069.db2.gz FOGVXILAKJGNTD-UHFFFAOYSA-N 1 2 317.349 1.989 20 5 DDBDLO CC[C@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452282747 529379790 /nfs/dbraw/zinc/37/97/90/529379790.db2.gz HWALWBQNNNTSIK-GFCCVEGCSA-N 1 2 318.333 1.623 20 5 DDBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000451944648 231244952 /nfs/dbraw/zinc/24/49/52/231244952.db2.gz GRSQPDTZOUCFPY-JOYOIKCWSA-N 1 2 322.346 1.776 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000452570250 529572843 /nfs/dbraw/zinc/57/28/43/529572843.db2.gz KJBHTTDGZOYBCS-UHFFFAOYSA-N 1 2 306.297 1.809 20 5 DDBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000331776476 530015184 /nfs/dbraw/zinc/01/51/84/530015184.db2.gz GRGFZUQKYGHQAQ-UHFFFAOYSA-N 1 2 304.310 1.123 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000330876536 232131120 /nfs/dbraw/zinc/13/11/20/232131120.db2.gz JVZXSBVONOOORX-UHFFFAOYSA-N 1 2 321.377 1.936 20 5 DDBDLO Cc1c([C@H](C)[NH2+]Cc2nnc3n2CCOC3)cccc1[N+](=O)[O-] ZINC000616365567 362660872 /nfs/dbraw/zinc/66/08/72/362660872.db2.gz CJLYGFRPWQXOTR-NSHDSACASA-N 1 2 317.349 1.876 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582838 210001398 /nfs/dbraw/zinc/00/13/98/210001398.db2.gz ULSZLJAEANSTEO-UHFFFAOYSA-N 1 2 323.349 1.141 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582838 210001404 /nfs/dbraw/zinc/00/14/04/210001404.db2.gz ULSZLJAEANSTEO-UHFFFAOYSA-N 1 2 323.349 1.141 20 5 DDBDLO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000264254405 186329565 /nfs/dbraw/zinc/32/95/65/186329565.db2.gz LGSMOQSVKRORTL-VXGBXAGGSA-N 1 2 307.350 1.434 20 5 DDBDLO Cc1c(C[NH+]2CCN(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051563851 352589480 /nfs/dbraw/zinc/58/94/80/352589480.db2.gz PAAHZJFPYFCLFB-UHFFFAOYSA-N 1 2 320.393 1.109 20 5 DDBDLO Cc1c(CN2CC[NH+](CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051563851 352589484 /nfs/dbraw/zinc/58/94/84/352589484.db2.gz PAAHZJFPYFCLFB-UHFFFAOYSA-N 1 2 320.393 1.109 20 5 DDBDLO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422803 353672759 /nfs/dbraw/zinc/67/27/59/353672759.db2.gz JDSQCKOQJHUTRK-HOCLYGCPSA-N 1 2 315.373 1.837 20 5 DDBDLO CCOC(=O)C[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266560146 354403424 /nfs/dbraw/zinc/40/34/24/354403424.db2.gz XDRHEICWKNLVEY-UHFFFAOYSA-N 1 2 312.322 1.477 20 5 DDBDLO CCOC(=O)C[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266560146 354403425 /nfs/dbraw/zinc/40/34/25/354403425.db2.gz XDRHEICWKNLVEY-UHFFFAOYSA-N 1 2 312.322 1.477 20 5 DDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH+]cn2C)cc1C ZINC000290181067 354442513 /nfs/dbraw/zinc/44/25/13/354442513.db2.gz LFIPYEPQLNITHS-UHFFFAOYSA-N 1 2 324.362 1.424 20 5 DDBDLO Cc1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000587057042 354878891 /nfs/dbraw/zinc/87/88/91/354878891.db2.gz QBGOMFMFTTZYJQ-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO CCNC(=O)C[N@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495175 354995796 /nfs/dbraw/zinc/99/57/96/354995796.db2.gz GBPSQZDQJUMNAI-UHFFFAOYSA-N 1 2 323.349 1.339 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495175 354995799 /nfs/dbraw/zinc/99/57/99/354995799.db2.gz GBPSQZDQJUMNAI-UHFFFAOYSA-N 1 2 323.349 1.339 20 5 DDBDLO 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CN(CCNc1ccccc1[N+](=O)[O-])C(=O)Cc1c[nH+]cn1C ZINC001101694697 777401857 /nfs/dbraw/zinc/40/18/57/777401857.db2.gz DEMYBHAPJSJLEE-UHFFFAOYSA-N 1 2 317.349 1.441 20 5 DDBDLO C[NH+](C)Cc1csc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC001155670210 862363615 /nfs/dbraw/zinc/36/36/15/862363615.db2.gz IHOJRFVXRVQLBE-UHFFFAOYSA-N 1 2 309.351 1.371 20 5 DDBDLO CCOc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157585893 863954675 /nfs/dbraw/zinc/95/46/75/863954675.db2.gz QMLMPZGGOVADJP-LLVKDONJSA-N 1 2 322.365 1.664 20 5 DDBDLO CCOc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157585893 863954685 /nfs/dbraw/zinc/95/46/85/863954685.db2.gz QMLMPZGGOVADJP-LLVKDONJSA-N 1 2 322.365 1.664 20 5 DDBDLO COc1cc(N2CCN(c3cccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC001158098299 864427653 /nfs/dbraw/zinc/42/76/53/864427653.db2.gz OYUPWOZRYAWJEU-UHFFFAOYSA-N 1 2 315.333 1.720 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229399891 883960908 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CO[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451070045 231002845 /nfs/dbraw/zinc/00/28/45/231002845.db2.gz NMHNAPNIBYSQNF-WDEREUQCSA-N 1 2 318.333 1.934 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254916121 282217940 /nfs/dbraw/zinc/21/79/40/282217940.db2.gz JYUKPYXLXVCTLG-LLPBQKLSSA-N 1 2 319.361 1.445 20 5 DDBDLO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000449668721 303987322 /nfs/dbraw/zinc/98/73/22/303987322.db2.gz UKKJXMRGWUZBKD-JTQLQIEISA-N 1 2 301.249 1.027 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045624372 352417339 /nfs/dbraw/zinc/41/73/39/352417339.db2.gz STLSTSAWMSCMRK-NSHDSACASA-N 1 2 303.322 1.679 20 5 DDBDLO C[C@H]1C[C@H](O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000331882793 234232604 /nfs/dbraw/zinc/23/26/04/234232604.db2.gz GILJKLFIPSNKIF-JQWIXIFHSA-N 1 2 316.317 1.376 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000491871134 234321753 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1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454613 356499263 /nfs/dbraw/zinc/49/92/63/356499263.db2.gz JLHIFFBQALHNSJ-LQJRIPTKSA-N 1 2 307.325 1.820 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595809560 356660247 /nfs/dbraw/zinc/66/02/47/356660247.db2.gz HAXCVBUFWBAMHK-VXGBXAGGSA-N 1 2 310.375 1.710 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595809560 356660251 /nfs/dbraw/zinc/66/02/51/356660251.db2.gz HAXCVBUFWBAMHK-VXGBXAGGSA-N 1 2 310.375 1.710 20 5 DDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597584945 357239047 /nfs/dbraw/zinc/23/90/47/357239047.db2.gz YLXPRRMHKPNWLH-KGLIPLIRSA-N 1 2 323.324 1.559 20 5 DDBDLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000597923764 357383587 /nfs/dbraw/zinc/38/35/87/357383587.db2.gz PJGSBLBUKDLQJB-JTQLQIEISA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000597923764 357383590 /nfs/dbraw/zinc/38/35/90/357383590.db2.gz PJGSBLBUKDLQJB-JTQLQIEISA-N 1 2 307.350 1.903 20 5 DDBDLO COc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459955 357591412 /nfs/dbraw/zinc/59/14/12/357591412.db2.gz PIQCIIPKZODKHN-SECBINFHSA-N 1 2 304.306 1.828 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464648 357592526 /nfs/dbraw/zinc/59/25/26/357592526.db2.gz KRUZHMCSJTXPLA-VIFPVBQESA-N 1 2 304.306 1.828 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000602642344 359093923 /nfs/dbraw/zinc/09/39/23/359093923.db2.gz JTQOPTBNDAVMTP-BXUZGUMPSA-N 1 2 310.354 1.098 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000602642344 359093927 /nfs/dbraw/zinc/09/39/27/359093927.db2.gz JTQOPTBNDAVMTP-BXUZGUMPSA-N 1 2 310.354 1.098 20 5 DDBDLO CCn1cc(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C(C)C)cn1 ZINC000602862877 359247631 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420757858 /nfs/dbraw/zinc/75/78/58/420757858.db2.gz AUVSENANABRAAH-JTQLQIEISA-N 1 2 316.317 1.545 20 5 DDBDLO C[C@@H](CO)[C@H](C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801302 420802364 /nfs/dbraw/zinc/80/23/64/420802364.db2.gz BQBCTMHSPCFOCG-STQMWFEESA-N 1 2 323.393 1.856 20 5 DDBDLO COc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000523480674 421240819 /nfs/dbraw/zinc/24/08/19/421240819.db2.gz LJUFTEWSFOOHAD-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO COc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000523480674 421240822 /nfs/dbraw/zinc/24/08/22/421240822.db2.gz LJUFTEWSFOOHAD-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2(F)CC2)CC1 ZINC000556962682 421753043 /nfs/dbraw/zinc/75/30/43/421753043.db2.gz WLVQYRLNVMWGGM-UHFFFAOYSA-N 1 2 307.325 1.855 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592201115 422330760 /nfs/dbraw/zinc/33/07/60/422330760.db2.gz URTACVVQTHFGHB-ZYHUDNBSSA-N 1 2 312.297 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COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363122952 300214894 /nfs/dbraw/zinc/21/48/94/300214894.db2.gz VRVCDPMLVBFXNJ-TUAOUCFPSA-N 1 2 322.365 1.634 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C3COC3)CC2)c2ccncc21 ZINC000368583626 301058093 /nfs/dbraw/zinc/05/80/93/301058093.db2.gz PBURTDZWZCHDJX-UHFFFAOYSA-N 1 2 314.345 1.664 20 5 DDBDLO Cc1nn(C)c(N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000370180522 301290342 /nfs/dbraw/zinc/29/03/42/301290342.db2.gz DFEPGUFZWKPISU-UHFFFAOYSA-N 1 2 304.354 1.806 20 5 DDBDLO COc1cc(C(=O)N2CCn3cc(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000374677172 301835772 /nfs/dbraw/zinc/83/57/72/301835772.db2.gz IVEPMHHXCOGUMM-UHFFFAOYSA-N 1 2 316.317 1.764 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000375992870 302020578 /nfs/dbraw/zinc/02/05/78/302020578.db2.gz GORHJPLUPRAKEX-OLZOCXBDSA-N 1 2 320.324 1.775 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000375992870 302020581 /nfs/dbraw/zinc/02/05/81/302020581.db2.gz GORHJPLUPRAKEX-OLZOCXBDSA-N 1 2 320.324 1.775 20 5 DDBDLO Cc1nn(C[NH+]2CCC(OC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000496163091 302531736 /nfs/dbraw/zinc/53/17/36/302531736.db2.gz ZOLCZQGOIUPHPY-UHFFFAOYSA-N 1 2 311.342 1.220 20 5 DDBDLO COCCn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000536671117 303367701 /nfs/dbraw/zinc/36/77/01/303367701.db2.gz ZCKYUBSGISXKGP-UHFFFAOYSA-N 1 2 316.361 1.996 20 5 DDBDLO COCCn1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000536671117 303367703 /nfs/dbraw/zinc/36/77/03/303367703.db2.gz ZCKYUBSGISXKGP-UHFFFAOYSA-N 1 2 316.361 1.996 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000372932203 307177164 /nfs/dbraw/zinc/17/71/64/307177164.db2.gz WPBNPTHXXGCTLU-GFCCVEGCSA-N 1 2 322.321 1.414 20 5 DDBDLO Cc1noc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000564586012 308000305 /nfs/dbraw/zinc/00/03/05/308000305.db2.gz RWDIWJGHXZLVOT-VIFPVBQESA-N 1 2 307.310 1.141 20 5 DDBDLO Cc1noc([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000564586012 308000306 /nfs/dbraw/zinc/00/03/06/308000306.db2.gz RWDIWJGHXZLVOT-VIFPVBQESA-N 1 2 307.310 1.141 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567750366 308094168 /nfs/dbraw/zinc/09/41/68/308094168.db2.gz STMDBBUQABXQJI-GFCCVEGCSA-N 1 2 306.366 1.611 20 5 DDBDLO C[N@H+]1CCO[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567750366 308094170 /nfs/dbraw/zinc/09/41/70/308094170.db2.gz STMDBBUQABXQJI-GFCCVEGCSA-N 1 2 306.366 1.611 20 5 DDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000343051827 490743617 /nfs/dbraw/zinc/74/36/17/490743617.db2.gz GECFDTHXTMYJPH-UHFFFAOYSA-N 1 2 313.277 1.011 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446069172 534339871 /nfs/dbraw/zinc/33/98/71/534339871.db2.gz KDLLVKUQCRYHBU-AWEZNQCLSA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446069172 534339880 /nfs/dbraw/zinc/33/98/80/534339880.db2.gz KDLLVKUQCRYHBU-AWEZNQCLSA-N 1 2 321.377 1.935 20 5 DDBDLO CC(C)(CCC(=O)NCCc1cn2ccccc2[nH+]1)[N+](=O)[O-] ZINC000294604781 527003194 /nfs/dbraw/zinc/00/31/94/527003194.db2.gz XRTMDWPJBLYQAD-UHFFFAOYSA-N 1 2 304.350 1.829 20 5 DDBDLO C[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000125145277 696750049 /nfs/dbraw/zinc/75/00/49/696750049.db2.gz QLEYWDCGNCNBCQ-SNVBAGLBSA-N 1 2 309.347 1.898 20 5 DDBDLO C[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000125145277 696750052 /nfs/dbraw/zinc/75/00/52/696750052.db2.gz QLEYWDCGNCNBCQ-SNVBAGLBSA-N 1 2 309.347 1.898 20 5 DDBDLO Cn1cc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000179913588 697442924 /nfs/dbraw/zinc/44/29/24/697442924.db2.gz UWEIBFCBUGSGHW-UHFFFAOYSA-N 1 2 313.273 1.733 20 5 DDBDLO COC[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794635924 699820738 /nfs/dbraw/zinc/82/07/38/699820738.db2.gz YGMJMDKFHZRENT-JTQLQIEISA-N 1 2 307.306 1.429 20 5 DDBDLO COC[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794635924 699820741 /nfs/dbraw/zinc/82/07/41/699820741.db2.gz YGMJMDKFHZRENT-JTQLQIEISA-N 1 2 307.306 1.429 20 5 DDBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804336124 701179990 /nfs/dbraw/zinc/17/99/90/701179990.db2.gz JWXFQXDROOXURY-UJYKQDJBSA-N 1 2 312.329 1.936 20 5 DDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000804562124 701201206 /nfs/dbraw/zinc/20/12/06/701201206.db2.gz VWOWKMBPUFKZAI-NSHDSACASA-N 1 2 322.321 1.414 20 5 DDBDLO COC[C@]1(C)CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000840108148 701972126 /nfs/dbraw/zinc/97/21/26/701972126.db2.gz OTIYENNFIMUJFG-OAHLLOKOSA-N 1 2 321.333 1.819 20 5 DDBDLO COC[C@]1(C)CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000840108148 701972129 /nfs/dbraw/zinc/97/21/29/701972129.db2.gz OTIYENNFIMUJFG-OAHLLOKOSA-N 1 2 321.333 1.819 20 5 DDBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@](O)(C(F)F)C3)c2c1 ZINC000840118927 701979031 /nfs/dbraw/zinc/97/90/31/701979031.db2.gz OTIPRSSQEBMYLB-ZDUSSCGKSA-N 1 2 312.276 1.604 20 5 DDBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@](O)(C(F)F)C3)c2c1 ZINC000840118927 701979037 /nfs/dbraw/zinc/97/90/37/701979037.db2.gz OTIPRSSQEBMYLB-ZDUSSCGKSA-N 1 2 312.276 1.604 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2c[nH+]cc2C1 ZINC000811857358 702073295 /nfs/dbraw/zinc/07/32/95/702073295.db2.gz DBCHGIMXJDVEKE-UHFFFAOYSA-N 1 2 301.306 1.171 20 5 DDBDLO CC[N@H+](C[C@H](C)OC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000812301274 702142724 /nfs/dbraw/zinc/14/27/24/702142724.db2.gz FHXUWVOWTGBPGK-JTQLQIEISA-N 1 2 309.322 1.817 20 5 DDBDLO CC[N@@H+](C[C@H](C)OC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000812301274 702142726 /nfs/dbraw/zinc/14/27/26/702142726.db2.gz FHXUWVOWTGBPGK-JTQLQIEISA-N 1 2 309.322 1.817 20 5 DDBDLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000841690379 702540118 /nfs/dbraw/zinc/54/01/18/702540118.db2.gz KNCLZKYNBQSDQW-CYBMUJFWSA-N 1 2 317.349 1.996 20 5 DDBDLO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000841690379 702540122 /nfs/dbraw/zinc/54/01/22/702540122.db2.gz KNCLZKYNBQSDQW-CYBMUJFWSA-N 1 2 317.349 1.996 20 5 DDBDLO CO[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853493656 704249849 /nfs/dbraw/zinc/24/98/49/704249849.db2.gz CMERJOJXIKCAQI-GFCCVEGCSA-N 1 2 317.349 1.922 20 5 DDBDLO CO[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853493656 704249852 /nfs/dbraw/zinc/24/98/52/704249852.db2.gz CMERJOJXIKCAQI-GFCCVEGCSA-N 1 2 317.349 1.922 20 5 DDBDLO COC(=O)[C@H](CC1CC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877587282 706150846 /nfs/dbraw/zinc/15/08/46/706150846.db2.gz JFJLLJHOQDQECG-XIVSLSHWSA-N 1 2 308.338 1.426 20 5 DDBDLO Cn1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000865705510 706500961 /nfs/dbraw/zinc/50/09/61/706500961.db2.gz UIPCRHIHFTYFSX-AWEZNQCLSA-N 1 2 324.768 1.979 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898485524 708653556 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SWUYWUPCKWKBEL-UHFFFAOYSA-N 1 2 305.338 1.895 20 5 DDBDLO CCN1CC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000595291790 356436044 /nfs/dbraw/zinc/43/60/44/356436044.db2.gz RMZBGKUSIJROMU-OAHLLOKOSA-N 1 2 318.377 1.338 20 5 DDBDLO Cc1noc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000595291010 356436329 /nfs/dbraw/zinc/43/63/29/356436329.db2.gz VTKQHSAPZLHSTC-UHFFFAOYSA-N 1 2 318.333 1.919 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000347162107 283194630 /nfs/dbraw/zinc/19/46/30/283194630.db2.gz VDTQSHREEMJLJU-UHFFFAOYSA-N 1 2 312.289 1.971 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757646 356639538 /nfs/dbraw/zinc/63/95/38/356639538.db2.gz ORRGLHJACMMQTB-ZIBATOQPSA-N 1 2 305.334 1.379 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757646 356639540 /nfs/dbraw/zinc/63/95/40/356639540.db2.gz ORRGLHJACMMQTB-ZIBATOQPSA-N 1 2 305.334 1.379 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000598000977 357416710 /nfs/dbraw/zinc/41/67/10/357416710.db2.gz WPNFWSNSJTYYHQ-QWHCGFSZSA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000598000977 357416716 /nfs/dbraw/zinc/41/67/16/357416716.db2.gz WPNFWSNSJTYYHQ-QWHCGFSZSA-N 1 2 321.377 1.363 20 5 DDBDLO COc1c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000598947111 357770595 /nfs/dbraw/zinc/77/05/95/357770595.db2.gz JPFRMUDSURIPPE-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO NC(=O)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599085016 357810679 /nfs/dbraw/zinc/81/06/79/357810679.db2.gz JFFRBOZJBZIHET-SNVBAGLBSA-N 1 2 300.318 1.845 20 5 DDBDLO O=[N+]([O-])c1c(NC2CC(CO)(CO)C2)ccc2c[nH+]ccc21 ZINC000599180189 357841704 /nfs/dbraw/zinc/84/17/04/357841704.db2.gz VUNWAOCAIJEJKQ-UHFFFAOYSA-N 1 2 303.318 1.688 20 5 DDBDLO COC(=O)[C@@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCC(C)(C)C1 ZINC000599559166 357973157 /nfs/dbraw/zinc/97/31/57/357973157.db2.gz RJHIEMSHORKOLW-OAHLLOKOSA-N 1 2 324.381 1.893 20 5 DDBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])[C@@H]2C1 ZINC000602483399 359008758 /nfs/dbraw/zinc/00/87/58/359008758.db2.gz GOMRFVQPHMYFGS-UPJWGTAASA-N 1 2 310.354 1.097 20 5 DDBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])[C@@H]2C1 ZINC000602483399 359008760 /nfs/dbraw/zinc/00/87/60/359008760.db2.gz GOMRFVQPHMYFGS-UPJWGTAASA-N 1 2 310.354 1.097 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000602826595 359220310 /nfs/dbraw/zinc/22/03/10/359220310.db2.gz HUSPEXUHPZPOJW-JTQLQIEISA-N 1 2 304.297 1.456 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000602826595 359220315 /nfs/dbraw/zinc/22/03/15/359220315.db2.gz HUSPEXUHPZPOJW-JTQLQIEISA-N 1 2 304.297 1.456 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603091375 359396758 /nfs/dbraw/zinc/39/67/58/359396758.db2.gz XIIVADILJONRPP-PGUXBMHVSA-N 1 2 305.334 1.297 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603091375 359396762 /nfs/dbraw/zinc/39/67/62/359396762.db2.gz XIIVADILJONRPP-PGUXBMHVSA-N 1 2 305.334 1.297 20 5 DDBDLO Cc1cccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000187279219 200087311 /nfs/dbraw/zinc/08/73/11/200087311.db2.gz CAUNTSQEQLZORW-LBPRGKRZSA-N 1 2 307.350 1.042 20 5 DDBDLO Cc1cccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000187279219 200087312 /nfs/dbraw/zinc/08/73/12/200087312.db2.gz CAUNTSQEQLZORW-LBPRGKRZSA-N 1 2 307.350 1.042 20 5 DDBDLO O=[N+]([O-])c1ncccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000603844931 359687275 /nfs/dbraw/zinc/68/72/75/359687275.db2.gz KLYGQUSCOWOKDW-UHFFFAOYSA-N 1 2 315.333 1.834 20 5 DDBDLO CC(C)OC[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189462588 200405785 /nfs/dbraw/zinc/40/57/85/200405785.db2.gz ITUMSUXYASPYEK-CYBMUJFWSA-N 1 2 310.350 1.444 20 5 DDBDLO COc1ccc(CC(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000609043768 360258094 /nfs/dbraw/zinc/25/80/94/360258094.db2.gz QZXJREWFIOVOKK-UHFFFAOYSA-N 1 2 301.302 1.910 20 5 DDBDLO Cc1ccnc(NC(=O)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000610211614 360390531 /nfs/dbraw/zinc/39/05/31/360390531.db2.gz WHBRFSQVCRTJPZ-UHFFFAOYSA-N 1 2 318.337 1.065 20 5 DDBDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000610211614 360390534 /nfs/dbraw/zinc/39/05/34/360390534.db2.gz WHBRFSQVCRTJPZ-UHFFFAOYSA-N 1 2 318.337 1.065 20 5 DDBDLO C[C@@H]1COCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610990665 360591977 /nfs/dbraw/zinc/59/19/77/360591977.db2.gz GOCDXOLNUGLTBN-GFCCVEGCSA-N 1 2 307.350 1.668 20 5 DDBDLO C[C@@H]1COCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610990665 360591979 /nfs/dbraw/zinc/59/19/79/360591979.db2.gz GOCDXOLNUGLTBN-GFCCVEGCSA-N 1 2 307.350 1.668 20 5 DDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3c[nH]nc3C2)c2c(c1)COCO2 ZINC000611008650 360600027 /nfs/dbraw/zinc/60/00/27/360600027.db2.gz FXCVMBZPVOZODG-UHFFFAOYSA-N 1 2 316.317 1.743 20 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/nfs/dbraw/zinc/00/25/29/212002529.db2.gz NRHUYFIIBWYWMK-UHFFFAOYSA-N 1 2 307.350 1.857 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1 ZINC000175660500 306686867 /nfs/dbraw/zinc/68/68/67/306686867.db2.gz DEJSOTRBYSYYGA-UHFFFAOYSA-N 1 2 321.314 1.578 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110952412 194373275 /nfs/dbraw/zinc/37/32/75/194373275.db2.gz SETJJWMADLAJTE-LBPRGKRZSA-N 1 2 323.349 1.515 20 5 DDBDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340909166 251270314 /nfs/dbraw/zinc/27/03/14/251270314.db2.gz NFJBNKYJSOOHNX-SCZZXKLOSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340909166 251270317 /nfs/dbraw/zinc/27/03/17/251270317.db2.gz NFJBNKYJSOOHNX-SCZZXKLOSA-N 1 2 313.741 1.642 20 5 DDBDLO Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000412412902 224025013 /nfs/dbraw/zinc/02/50/13/224025013.db2.gz DOSYJOGKSVIFBD-LSDHHAIUSA-N 1 2 314.345 1.791 20 5 DDBDLO Cn1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159173022 197332705 /nfs/dbraw/zinc/33/27/05/197332705.db2.gz ZVOCWGKKMMNXDU-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157095531 197161903 /nfs/dbraw/zinc/16/19/03/197161903.db2.gz OOGKRHYHHBTIPN-KBPBESRZSA-N 1 2 317.349 1.594 20 5 DDBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157095531 197161904 /nfs/dbraw/zinc/16/19/04/197161904.db2.gz OOGKRHYHHBTIPN-KBPBESRZSA-N 1 2 317.349 1.594 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1CNCC[NH+]1CCC(O)CC1 ZINC000294841274 224257688 /nfs/dbraw/zinc/25/76/88/224257688.db2.gz MMECDJVRVHPCIY-UHFFFAOYSA-N 1 2 323.393 1.540 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000568567894 304299213 /nfs/dbraw/zinc/29/92/13/304299213.db2.gz ZOLARMMGKWXIPE-UHFFFAOYSA-N 1 2 306.366 1.702 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000245522405 292295392 /nfs/dbraw/zinc/29/53/92/292295392.db2.gz LUKOUFRAVVRBRW-JTNHKYCSSA-N 1 2 307.350 1.539 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000245522405 292295393 /nfs/dbraw/zinc/29/53/93/292295393.db2.gz LUKOUFRAVVRBRW-JTNHKYCSSA-N 1 2 307.350 1.539 20 5 DDBDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069863461 406780645 /nfs/dbraw/zinc/78/06/45/406780645.db2.gz CPMJBQSIKBAANH-LLVKDONJSA-N 1 2 316.379 1.339 20 5 DDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069863461 406780647 /nfs/dbraw/zinc/78/06/47/406780647.db2.gz CPMJBQSIKBAANH-LLVKDONJSA-N 1 2 316.379 1.339 20 5 DDBDLO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000078510783 407030500 /nfs/dbraw/zinc/03/05/00/407030500.db2.gz WFBRGGGUZGDFDK-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO CCOC(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037571 407053149 /nfs/dbraw/zinc/05/31/49/407053149.db2.gz HNKGWXDPUVZWKL-UHFFFAOYSA-N 1 2 323.349 1.748 20 5 DDBDLO Cc1nn(C)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000114708676 407602636 /nfs/dbraw/zinc/60/26/36/407602636.db2.gz LNFRQDIWHKCYDU-UHFFFAOYSA-N 1 2 318.337 1.612 20 5 DDBDLO Cc1cc(C(=O)N(C)CC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000171419022 407684085 /nfs/dbraw/zinc/68/40/85/407684085.db2.gz SKEMPVJAXDPFBQ-UHFFFAOYSA-N 1 2 307.350 1.307 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000267075152 407739560 /nfs/dbraw/zinc/73/95/60/407739560.db2.gz BOXODXAOVQPFNT-UHFFFAOYSA-N 1 2 318.289 1.328 20 5 DDBDLO C[N@H+](Cc1cccnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000119035994 407981240 /nfs/dbraw/zinc/98/12/40/407981240.db2.gz MTDBJCRKQYBZTQ-UHFFFAOYSA-N 1 2 300.318 1.721 20 5 DDBDLO C[N@@H+](Cc1cccnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000119035994 407981245 /nfs/dbraw/zinc/98/12/45/407981245.db2.gz MTDBJCRKQYBZTQ-UHFFFAOYSA-N 1 2 300.318 1.721 20 5 DDBDLO Nc1nc(NCCCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000263958094 408325695 /nfs/dbraw/zinc/32/56/95/408325695.db2.gz NBFVZLITZDHBJX-UHFFFAOYSA-N 1 2 303.326 1.666 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000173764183 162361512 /nfs/dbraw/zinc/36/15/12/162361512.db2.gz QEWQMQNFEAJMBN-OAHLLOKOSA-N 1 2 319.361 1.117 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000173764183 162361517 /nfs/dbraw/zinc/36/15/17/162361517.db2.gz QEWQMQNFEAJMBN-OAHLLOKOSA-N 1 2 319.361 1.117 20 5 DDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265645392 408729459 /nfs/dbraw/zinc/72/94/59/408729459.db2.gz LLJRDKFFJWIBLC-ZWNOBZJWSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265645392 408729465 /nfs/dbraw/zinc/72/94/65/408729465.db2.gz LLJRDKFFJWIBLC-ZWNOBZJWSA-N 1 2 320.349 1.084 20 5 DDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000281885467 408948144 /nfs/dbraw/zinc/94/81/44/408948144.db2.gz XRWOHNSLGOXPDU-LLVKDONJSA-N 1 2 308.294 1.213 20 5 DDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000281885467 408948146 /nfs/dbraw/zinc/94/81/46/408948146.db2.gz XRWOHNSLGOXPDU-LLVKDONJSA-N 1 2 308.294 1.213 20 5 DDBDLO CCN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380147 408974525 /nfs/dbraw/zinc/97/45/25/408974525.db2.gz GQCPNUWKIGOSSU-ZFWWWQNUSA-N 1 2 323.393 1.361 20 5 DDBDLO CCN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380147 408974528 /nfs/dbraw/zinc/97/45/28/408974528.db2.gz GQCPNUWKIGOSSU-ZFWWWQNUSA-N 1 2 323.393 1.361 20 5 DDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280238322 409275444 /nfs/dbraw/zinc/27/54/44/409275444.db2.gz MGWASIDYNZLFPQ-UHFFFAOYSA-N 1 2 311.363 1.135 20 5 DDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280238322 409275445 /nfs/dbraw/zinc/27/54/45/409275445.db2.gz MGWASIDYNZLFPQ-UHFFFAOYSA-N 1 2 311.363 1.135 20 5 DDBDLO 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C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCOCC1 ZINC000267558128 206143406 /nfs/dbraw/zinc/14/34/06/206143406.db2.gz ABJBLEFODYHPGX-MLGOLLRUSA-N 1 2 323.368 1.886 20 5 DDBDLO COC(=O)C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000267618312 206176078 /nfs/dbraw/zinc/17/60/78/206176078.db2.gz CXEFRTGVWSRAHE-AWEZNQCLSA-N 1 2 324.333 1.238 20 5 DDBDLO COC(=O)C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000267618312 206176082 /nfs/dbraw/zinc/17/60/82/206176082.db2.gz CXEFRTGVWSRAHE-AWEZNQCLSA-N 1 2 324.333 1.238 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000041835115 183222414 /nfs/dbraw/zinc/22/24/14/183222414.db2.gz RLVCLBHAYMVTRH-UHFFFAOYSA-N 1 2 317.349 1.789 20 5 DDBDLO CCCS(=O)(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285298165 218370735 /nfs/dbraw/zinc/37/07/35/218370735.db2.gz KVQSHIJBJRRYIH-UHFFFAOYSA-N 1 2 314.407 1.894 20 5 DDBDLO CCCS(=O)(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285298165 218370738 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20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000105609885 407354956 /nfs/dbraw/zinc/35/49/56/407354956.db2.gz SRHGWUNDMRYWBT-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000105609885 407354959 /nfs/dbraw/zinc/35/49/59/407354959.db2.gz SRHGWUNDMRYWBT-ZDUSSCGKSA-N 1 2 307.350 1.704 20 5 DDBDLO CC[C@](C)(CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125680270 407395236 /nfs/dbraw/zinc/39/52/36/407395236.db2.gz PQRRNULNDUKKLV-OAHLLOKOSA-N 1 2 318.333 1.671 20 5 DDBDLO COc1cc(N[C@H](C)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000271111853 407520607 /nfs/dbraw/zinc/52/06/07/407520607.db2.gz USMRYVXQFRLXEK-SNVBAGLBSA-N 1 2 313.329 1.875 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185892535 407532471 /nfs/dbraw/zinc/53/24/71/407532471.db2.gz NRXYRYDAXPOFOM-OAHLLOKOSA-N 1 2 307.350 1.833 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185892535 407532476 /nfs/dbraw/zinc/53/24/76/407532476.db2.gz NRXYRYDAXPOFOM-OAHLLOKOSA-N 1 2 307.350 1.833 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000171287028 407648868 /nfs/dbraw/zinc/64/88/68/407648868.db2.gz IIAZSZALOFHSIS-NSHDSACASA-N 1 2 318.333 1.137 20 5 DDBDLO C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000171287028 407648870 /nfs/dbraw/zinc/64/88/70/407648870.db2.gz IIAZSZALOFHSIS-NSHDSACASA-N 1 2 318.333 1.137 20 5 DDBDLO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186497202 407683680 /nfs/dbraw/zinc/68/36/80/407683680.db2.gz RHSLAMBBTFZCFL-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186497202 407683686 /nfs/dbraw/zinc/68/36/86/407683686.db2.gz RHSLAMBBTFZCFL-NSHDSACASA-N 1 2 307.350 1.714 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000153097436 407754408 /nfs/dbraw/zinc/75/44/08/407754408.db2.gz HRLPPNHEZOAPKQ-NSHDSACASA-N 1 2 323.349 1.389 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000153097436 407754418 /nfs/dbraw/zinc/75/44/18/407754418.db2.gz HRLPPNHEZOAPKQ-NSHDSACASA-N 1 2 323.349 1.389 20 5 DDBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273611869 408266284 /nfs/dbraw/zinc/26/62/84/408266284.db2.gz MGELFBZSRQWGCU-GFCCVEGCSA-N 1 2 314.349 1.663 20 5 DDBDLO CCOC(=O)[C@H](CC)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000190635287 408293677 /nfs/dbraw/zinc/29/36/77/408293677.db2.gz VEEAGBQCUDWCQG-LBPRGKRZSA-N 1 2 310.354 1.597 20 5 DDBDLO CCOC(=O)[C@H](CC)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000190635287 408293680 /nfs/dbraw/zinc/29/36/80/408293680.db2.gz VEEAGBQCUDWCQG-LBPRGKRZSA-N 1 2 310.354 1.597 20 5 DDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000183230865 408359936 /nfs/dbraw/zinc/35/99/36/408359936.db2.gz OFYCDIOHPXQEPD-CQSZACIVSA-N 1 2 312.391 1.912 20 5 DDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000183230865 408359939 /nfs/dbraw/zinc/35/99/39/408359939.db2.gz OFYCDIOHPXQEPD-CQSZACIVSA-N 1 2 312.391 1.912 20 5 DDBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2ccon2)CC1 ZINC000173938898 162381153 /nfs/dbraw/zinc/38/11/53/162381153.db2.gz IRFMLAFJLAHAMO-UHFFFAOYSA-N 1 2 302.334 1.901 20 5 DDBDLO C[C@H](O)CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247377978 408459338 /nfs/dbraw/zinc/45/93/38/408459338.db2.gz VOFRVNBOCMZUAN-KGLIPLIRSA-N 1 2 307.394 1.524 20 5 DDBDLO C[C@H](O)CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247377978 408459343 /nfs/dbraw/zinc/45/93/43/408459343.db2.gz VOFRVNBOCMZUAN-KGLIPLIRSA-N 1 2 307.394 1.524 20 5 DDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000247179167 408424686 /nfs/dbraw/zinc/42/46/86/408424686.db2.gz UQHSRFZGXKLITL-GHMZBOCLSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000247179167 408424692 /nfs/dbraw/zinc/42/46/92/408424692.db2.gz UQHSRFZGXKLITL-GHMZBOCLSA-N 1 2 323.349 1.387 20 5 DDBDLO C[C@@H](N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000178259505 408795352 /nfs/dbraw/zinc/79/53/52/408795352.db2.gz UCOIYPKJUJEPTN-SNVBAGLBSA-N 1 2 321.303 1.360 20 5 DDBDLO Cc1noc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000285696901 408844187 /nfs/dbraw/zinc/84/41/87/408844187.db2.gz OVDRSYDIQLZEPH-LBPRGKRZSA-N 1 2 319.321 1.285 20 5 DDBDLO Cc1noc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000285696901 408844189 /nfs/dbraw/zinc/84/41/89/408844189.db2.gz OVDRSYDIQLZEPH-LBPRGKRZSA-N 1 2 319.321 1.285 20 5 DDBDLO CC(C)(C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000283292599 409129920 /nfs/dbraw/zinc/12/99/20/409129920.db2.gz SZGOQBBSHTVDDI-UHFFFAOYSA-N 1 2 321.377 1.364 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCOCC1 ZINC000283575631 409179028 /nfs/dbraw/zinc/17/90/28/409179028.db2.gz ONENDNKOSUEWEL-LLVKDONJSA-N 1 2 307.350 1.930 20 5 DDBDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284349457 409331233 /nfs/dbraw/zinc/33/12/33/409331233.db2.gz YJVPLVFAHAEIKD-SECBINFHSA-N 1 2 313.304 1.831 20 5 DDBDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284349457 409331241 /nfs/dbraw/zinc/33/12/41/409331241.db2.gz YJVPLVFAHAEIKD-SECBINFHSA-N 1 2 313.304 1.831 20 5 DDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000295463885 409493896 /nfs/dbraw/zinc/49/38/96/409493896.db2.gz LKNTUPGKJJBKRK-UHFFFAOYSA-N 1 2 324.362 1.598 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331853248 409789686 /nfs/dbraw/zinc/78/96/86/409789686.db2.gz WTJHVRQANFNGDG-DGCLKSJQSA-N 1 2 309.753 1.959 20 5 DDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331853248 409789693 /nfs/dbraw/zinc/78/96/93/409789693.db2.gz WTJHVRQANFNGDG-DGCLKSJQSA-N 1 2 309.753 1.959 20 5 DDBDLO COCCc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338381679 409951251 /nfs/dbraw/zinc/95/12/51/409951251.db2.gz PBJIDVLIZUEALF-UHFFFAOYSA-N 1 2 320.349 1.841 20 5 DDBDLO COCCc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338381679 409951256 /nfs/dbraw/zinc/95/12/56/409951256.db2.gz PBJIDVLIZUEALF-UHFFFAOYSA-N 1 2 320.349 1.841 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)CO)CC1 ZINC000342840760 409939164 /nfs/dbraw/zinc/93/91/64/409939164.db2.gz ACNCHJLSAGUPPZ-LCYFTJDESA-N 1 2 319.361 1.135 20 5 DDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000298190667 410127209 /nfs/dbraw/zinc/12/72/09/410127209.db2.gz MBUIUUMRRVBQPK-UHFFFAOYSA-N 1 2 303.322 1.287 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000339469922 410211554 /nfs/dbraw/zinc/21/15/54/410211554.db2.gz HNGRBSXAGIVPGF-SNVBAGLBSA-N 1 2 303.322 1.297 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000355933307 410738524 /nfs/dbraw/zinc/73/85/24/410738524.db2.gz CBMIPMQKMCZADD-NSHDSACASA-N 1 2 323.397 1.455 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000355933307 410738529 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1.488 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373758445 307194655 /nfs/dbraw/zinc/19/46/55/307194655.db2.gz OTZSXQJMACCZIH-OAHLLOKOSA-N 1 2 324.381 1.488 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000376543433 307246655 /nfs/dbraw/zinc/24/66/55/307246655.db2.gz UUROSUYPTJRQNB-ZDUSSCGKSA-N 1 2 324.333 1.238 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000376543433 307246656 /nfs/dbraw/zinc/24/66/56/307246656.db2.gz UUROSUYPTJRQNB-ZDUSSCGKSA-N 1 2 324.333 1.238 20 5 DDBDLO CON(C)C(=O)CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000376644933 307251295 /nfs/dbraw/zinc/25/12/95/307251295.db2.gz JPZGXLOVMRQKHV-UHFFFAOYSA-N 1 2 309.322 1.068 20 5 DDBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000495776504 307318034 /nfs/dbraw/zinc/31/80/34/307318034.db2.gz VZASSKLIIBMMGC-SNVBAGLBSA-N 1 2 311.342 1.039 20 5 DDBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000495776504 307318035 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1.903 20 5 DDBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1n1cc[nH+]c1 ZINC000331848729 534010195 /nfs/dbraw/zinc/01/01/95/534010195.db2.gz QGVODJYIYATAJD-DGCLKSJQSA-N 1 2 317.349 1.853 20 5 DDBDLO Cc1nn(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000748266644 700108550 /nfs/dbraw/zinc/10/85/50/700108550.db2.gz MSLNPGOBTXWQHE-CQSZACIVSA-N 1 2 324.381 1.636 20 5 DDBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000726588526 699369592 /nfs/dbraw/zinc/36/95/92/699369592.db2.gz QOFXKWANWWETJM-LBPRGKRZSA-N 1 2 310.354 1.783 20 5 DDBDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000726588526 699369593 /nfs/dbraw/zinc/36/95/93/699369593.db2.gz QOFXKWANWWETJM-LBPRGKRZSA-N 1 2 310.354 1.783 20 5 DDBDLO C[C@@H]1C[C@H](C)C[N@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740859865 699803012 /nfs/dbraw/zinc/80/30/12/699803012.db2.gz NRMPIIPQEHNKJV-VHSXEESVSA-N 1 2 303.318 1.879 20 5 DDBDLO C[C@@H]1C[C@H](C)C[N@@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000740859865 699803015 /nfs/dbraw/zinc/80/30/15/699803015.db2.gz NRMPIIPQEHNKJV-VHSXEESVSA-N 1 2 303.318 1.879 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000804625182 701204363 /nfs/dbraw/zinc/20/43/63/701204363.db2.gz HGNOVUZLRXRFQQ-NSHDSACASA-N 1 2 307.350 1.300 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000804625182 701204364 /nfs/dbraw/zinc/20/43/64/701204364.db2.gz HGNOVUZLRXRFQQ-NSHDSACASA-N 1 2 307.350 1.300 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830866164 706594269 /nfs/dbraw/zinc/59/42/69/706594269.db2.gz UNERWKPWCVDQPO-QWRGUYRKSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830866164 706594270 /nfs/dbraw/zinc/59/42/70/706594270.db2.gz UNERWKPWCVDQPO-QWRGUYRKSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892581 706598527 /nfs/dbraw/zinc/59/85/27/706598527.db2.gz XYNNCIPSPLEFKG-JQWIXIFHSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830892581 706598529 /nfs/dbraw/zinc/59/85/29/706598529.db2.gz XYNNCIPSPLEFKG-JQWIXIFHSA-N 1 2 312.297 1.090 20 5 DDBDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000842047172 702663561 /nfs/dbraw/zinc/66/35/61/702663561.db2.gz MBSCKAZJYXKZJL-NXEZZACHSA-N 1 2 315.320 1.764 20 5 DDBDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000842047172 702663562 /nfs/dbraw/zinc/66/35/62/702663562.db2.gz MBSCKAZJYXKZJL-NXEZZACHSA-N 1 2 315.320 1.764 20 5 DDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc21 ZINC000857990131 704657534 /nfs/dbraw/zinc/65/75/34/704657534.db2.gz RVIDDXRFOVNQJT-NSHDSACASA-N 1 2 316.317 1.821 20 5 DDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc21 ZINC000857990130 704657689 /nfs/dbraw/zinc/65/76/89/704657689.db2.gz RVIDDXRFOVNQJT-LLVKDONJSA-N 1 2 316.317 1.821 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000874698567 705131548 /nfs/dbraw/zinc/13/15/48/705131548.db2.gz HRFSUSRZHYUNHA-CYBMUJFWSA-N 1 2 307.350 1.435 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000874698567 705131551 /nfs/dbraw/zinc/13/15/51/705131551.db2.gz HRFSUSRZHYUNHA-CYBMUJFWSA-N 1 2 307.350 1.435 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874896130 705221259 /nfs/dbraw/zinc/22/12/59/705221259.db2.gz JRFZXSHIJMKKQU-CYBMUJFWSA-N 1 2 318.308 1.849 20 5 DDBDLO C[C@@H]1C[N@H+](CCO)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000829578194 706360235 /nfs/dbraw/zinc/36/02/35/706360235.db2.gz WSUDPDYKIAERJR-SECBINFHSA-N 1 2 301.293 1.376 20 5 DDBDLO C[C@@H]1C[N@@H+](CCO)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000829578194 706360238 /nfs/dbraw/zinc/36/02/38/706360238.db2.gz WSUDPDYKIAERJR-SECBINFHSA-N 1 2 301.293 1.376 20 5 DDBDLO COC(=O)CN1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000878457735 706393489 /nfs/dbraw/zinc/39/34/89/706393489.db2.gz GCCXCJNSWBHTNJ-UHFFFAOYSA-N 1 2 307.350 1.194 20 5 DDBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000881914126 707421724 /nfs/dbraw/zinc/42/17/24/707421724.db2.gz DWKIUCANWTWOOY-NSHDSACASA-N 1 2 307.350 1.300 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000872773323 707594419 /nfs/dbraw/zinc/59/44/19/707594419.db2.gz JQIITMGFJQCDQY-GFCCVEGCSA-N 1 2 311.386 1.642 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000872773323 707594423 /nfs/dbraw/zinc/59/44/23/707594423.db2.gz JQIITMGFJQCDQY-GFCCVEGCSA-N 1 2 311.386 1.642 20 5 DDBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000886178619 708710606 /nfs/dbraw/zinc/71/06/06/708710606.db2.gz AHSMVZJVLOIOPQ-TYNCELHUSA-N 1 2 307.350 1.758 20 5 DDBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000886178619 708710608 /nfs/dbraw/zinc/71/06/08/708710608.db2.gz AHSMVZJVLOIOPQ-TYNCELHUSA-N 1 2 307.350 1.758 20 5 DDBDLO COc1ccc(C[N@H+](CCO)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886319313 708741678 /nfs/dbraw/zinc/74/16/78/708741678.db2.gz AQEGXYTXFPKFQD-UHFFFAOYSA-N 1 2 317.345 1.993 20 5 DDBDLO COc1ccc(C[N@@H+](CCO)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886319313 708741680 /nfs/dbraw/zinc/74/16/80/708741680.db2.gz AQEGXYTXFPKFQD-UHFFFAOYSA-N 1 2 317.345 1.993 20 5 DDBDLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000886952958 708902353 /nfs/dbraw/zinc/90/23/53/708902353.db2.gz RFCWULCEXNSKCS-GJZGRUSLSA-N 1 2 322.361 1.838 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CC(F)F)C2CCC2)c1 ZINC000887099077 708954949 /nfs/dbraw/zinc/95/49/49/708954949.db2.gz QGPGOVCRQQHTAQ-LLVKDONJSA-N 1 2 304.297 1.272 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CC(F)F)C2CCC2)c1 ZINC000887099077 708954951 /nfs/dbraw/zinc/95/49/51/708954951.db2.gz QGPGOVCRQQHTAQ-LLVKDONJSA-N 1 2 304.297 1.272 20 5 DDBDLO COC(=O)[C@H](CC(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895592384 711552926 /nfs/dbraw/zinc/55/29/26/711552926.db2.gz NLNZSIQTBUBLJV-XIVSLSHWSA-N 1 2 310.354 1.672 20 5 DDBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CNOC3)cs2)c1 ZINC000904425792 711856711 /nfs/dbraw/zinc/85/67/11/711856711.db2.gz YJBNJIUWRQWKCL-JTQLQIEISA-N 1 2 306.347 1.711 20 5 DDBDLO Cc1nn(C[NH+]2CCC(c3ccn(C)n3)CC2)c(C)c1[N+](=O)[O-] ZINC000905722744 712131931 /nfs/dbraw/zinc/13/19/31/712131931.db2.gz MOGDTPWEDBNGJO-UHFFFAOYSA-N 1 2 318.381 1.979 20 5 DDBDLO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000921413239 713761881 /nfs/dbraw/zinc/76/18/81/713761881.db2.gz HGVMRHUEWOYJFI-NSHDSACASA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000921413239 713761882 /nfs/dbraw/zinc/76/18/82/713761882.db2.gz HGVMRHUEWOYJFI-NSHDSACASA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921414127 713762830 /nfs/dbraw/zinc/76/28/30/713762830.db2.gz CYNWJDCRIWUKGP-NSHDSACASA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921414127 713762833 /nfs/dbraw/zinc/76/28/33/713762833.db2.gz CYNWJDCRIWUKGP-NSHDSACASA-N 1 2 313.379 1.194 20 5 DDBDLO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@H]1CN(C)CC[N@@H+]1C ZINC001120960725 782258629 /nfs/dbraw/zinc/25/86/29/782258629.db2.gz WTKRFGWXGPFIAZ-XHDPSFHLSA-N 1 2 319.409 1.609 20 5 DDBDLO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@H]1CN(C)CC[N@H+]1C ZINC001120960725 782258635 /nfs/dbraw/zinc/25/86/35/782258635.db2.gz WTKRFGWXGPFIAZ-XHDPSFHLSA-N 1 2 319.409 1.609 20 5 DDBDLO Cc1nn(CC[N@H+]2CCOC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC001188854009 744785199 /nfs/dbraw/zinc/78/51/99/744785199.db2.gz OCOVKFHFHFUTPD-JTQLQIEISA-N 1 2 305.338 1.369 20 5 DDBDLO Cc1nn(CC[N@@H+]2CCOC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC001188854009 744785201 /nfs/dbraw/zinc/78/52/01/744785201.db2.gz OCOVKFHFHFUTPD-JTQLQIEISA-N 1 2 305.338 1.369 20 5 DDBDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169037084 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324.333 1.236 20 5 DDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cs1 ZINC001329956090 863973462 /nfs/dbraw/zinc/97/34/62/863973462.db2.gz FJENMSISCWBMPS-UHFFFAOYSA-N 1 2 314.348 1.057 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158700906 864824004 /nfs/dbraw/zinc/82/40/04/864824004.db2.gz HIHJLHHKYVXIEW-NSHDSACASA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158700906 864824018 /nfs/dbraw/zinc/82/40/18/864824018.db2.gz HIHJLHHKYVXIEW-NSHDSACASA-N 1 2 302.334 1.886 20 5 DDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001158851265 864936542 /nfs/dbraw/zinc/93/65/42/864936542.db2.gz FXRUACLHDNRKES-SNVBAGLBSA-N 1 2 311.301 1.627 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226436084 882428919 /nfs/dbraw/zinc/42/89/19/882428919.db2.gz IRCXXIGHXVDXOH-LLVKDONJSA-N 1 2 318.333 1.638 20 5 DDBDLO Cn1cc[nH+]c1CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349300561 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DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@](O)(C(F)F)C3)nc2c1 ZINC000451430251 231092157 /nfs/dbraw/zinc/09/21/57/231092157.db2.gz MDHHXSDDOYCBPT-ZDUSSCGKSA-N 1 2 312.276 1.673 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@](O)(C(F)F)C3)nc2c1 ZINC000451430251 231092159 /nfs/dbraw/zinc/09/21/59/231092159.db2.gz MDHHXSDDOYCBPT-ZDUSSCGKSA-N 1 2 312.276 1.673 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249566311 282174193 /nfs/dbraw/zinc/17/41/93/282174193.db2.gz NDGKGVRBLRMTFZ-ZWNOBZJWSA-N 1 2 307.350 1.689 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249566311 282174196 /nfs/dbraw/zinc/17/41/96/282174196.db2.gz NDGKGVRBLRMTFZ-ZWNOBZJWSA-N 1 2 307.350 1.689 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491438083 529910058 /nfs/dbraw/zinc/91/00/58/529910058.db2.gz ZIQSPUAKJMBDCY-AATRIKPKSA-N 1 2 319.361 1.399 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000331373621 233219012 /nfs/dbraw/zinc/21/90/12/233219012.db2.gz CFZJXYSVLNHHGG-VIFPVBQESA-N 1 2 304.310 1.512 20 5 DDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCCNc1cccc[nH+]1 ZINC000171928765 198009537 /nfs/dbraw/zinc/00/95/37/198009537.db2.gz HBLGMCKCRTYTMB-UHFFFAOYSA-N 1 2 318.337 1.195 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000016419940 352159957 /nfs/dbraw/zinc/15/99/57/352159957.db2.gz AINAPCBCEVMNCI-LBPRGKRZSA-N 1 2 307.350 1.446 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000016419940 352159960 /nfs/dbraw/zinc/15/99/60/352159960.db2.gz AINAPCBCEVMNCI-LBPRGKRZSA-N 1 2 307.350 1.446 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000027566403 352220044 /nfs/dbraw/zinc/22/00/44/352220044.db2.gz GVKICKISTSVBSQ-CYBMUJFWSA-N 1 2 307.350 1.656 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000027566403 352220046 /nfs/dbraw/zinc/22/00/46/352220046.db2.gz GVKICKISTSVBSQ-CYBMUJFWSA-N 1 2 307.350 1.656 20 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O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000590602351 355128182 /nfs/dbraw/zinc/12/81/82/355128182.db2.gz WPLLDNJWWZMOGR-LBPRGKRZSA-N 1 2 318.333 1.116 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000590602351 355128183 /nfs/dbraw/zinc/12/81/83/355128183.db2.gz WPLLDNJWWZMOGR-LBPRGKRZSA-N 1 2 318.333 1.116 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000332646750 235239421 /nfs/dbraw/zinc/23/94/21/235239421.db2.gz LLZFRZNLDIJXER-VXNVDRBHSA-N 1 2 308.260 1.216 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000332646750 235239424 /nfs/dbraw/zinc/23/94/24/235239424.db2.gz LLZFRZNLDIJXER-VXNVDRBHSA-N 1 2 308.260 1.216 20 5 DDBDLO C[C@@H](CCO)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593881098 356039311 /nfs/dbraw/zinc/03/93/11/356039311.db2.gz RLEILAFHEVXABI-NSHDSACASA-N 1 2 318.333 1.623 20 5 DDBDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594565951 356252263 /nfs/dbraw/zinc/25/22/63/356252263.db2.gz STMDBMVDGCQNBO-LBPRGKRZSA-N 1 2 307.350 1.514 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595319995 356448210 /nfs/dbraw/zinc/44/82/10/356448210.db2.gz FDLQRPCFUZCPTR-ZDUSSCGKSA-N 1 2 322.340 1.724 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595319995 356448213 /nfs/dbraw/zinc/44/82/13/356448213.db2.gz FDLQRPCFUZCPTR-ZDUSSCGKSA-N 1 2 322.340 1.724 20 5 DDBDLO Cc1noc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000595469719 356505528 /nfs/dbraw/zinc/50/55/28/356505528.db2.gz XENPONFZGWMPRY-CHIMOYNISA-N 1 2 311.338 1.660 20 5 DDBDLO Cc1noc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000595469719 356505534 /nfs/dbraw/zinc/50/55/34/356505534.db2.gz XENPONFZGWMPRY-CHIMOYNISA-N 1 2 311.338 1.660 20 5 DDBDLO CC(=O)N1CC[NH+](CCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596079098 356764803 /nfs/dbraw/zinc/76/48/03/356764803.db2.gz YQAYUDBZHXXLEJ-UHFFFAOYSA-N 1 2 312.395 1.541 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ZINC000596454807 356884833 /nfs/dbraw/zinc/88/48/33/356884833.db2.gz UYPDPSQCTDZENI-VXGBXAGGSA-N 1 2 322.365 1.826 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596480696 356892823 /nfs/dbraw/zinc/89/28/23/356892823.db2.gz FLHZKWFZIOJSNW-UHFFFAOYSA-N 1 2 322.365 1.107 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCO[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276874755 213146812 /nfs/dbraw/zinc/14/68/12/213146812.db2.gz IBERROFWHMJHPA-ZDUSSCGKSA-N 1 2 310.350 1.841 20 5 DDBDLO CCOc1cc(C[N@H+]2CCO[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276874755 213146815 /nfs/dbraw/zinc/14/68/15/213146815.db2.gz IBERROFWHMJHPA-ZDUSSCGKSA-N 1 2 310.350 1.841 20 5 DDBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597584893 357239083 /nfs/dbraw/zinc/23/90/83/357239083.db2.gz YKPQRBITTAUOBA-NEPJUHHUSA-N 1 2 323.324 1.559 20 5 DDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000597865125 357363807 /nfs/dbraw/zinc/36/38/07/357363807.db2.gz SNXDKLRVUKLJEW-UHFFFAOYSA-N 1 2 303.322 1.779 20 5 DDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000597865125 357363812 /nfs/dbraw/zinc/36/38/12/357363812.db2.gz SNXDKLRVUKLJEW-UHFFFAOYSA-N 1 2 303.322 1.779 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597995366 357410719 /nfs/dbraw/zinc/41/07/19/357410719.db2.gz FKXUHJHCFBCJCO-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597995366 357410724 /nfs/dbraw/zinc/41/07/24/357410724.db2.gz FKXUHJHCFBCJCO-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597996399 357412288 /nfs/dbraw/zinc/41/22/88/357412288.db2.gz IYSMESBWYNEVRM-NWDGAFQWSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597996399 357412290 /nfs/dbraw/zinc/41/22/90/357412290.db2.gz IYSMESBWYNEVRM-NWDGAFQWSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598460631 357591087 /nfs/dbraw/zinc/59/10/87/357591087.db2.gz UGGYLHOQSKVMDR-NSHDSACASA-N 1 2 318.333 1.975 20 5 DDBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944111 357768629 /nfs/dbraw/zinc/76/86/29/357768629.db2.gz WPRGISZEUBYRFQ-SNVBAGLBSA-N 1 2 318.358 1.625 20 5 DDBDLO C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000599020776 357796370 /nfs/dbraw/zinc/79/63/70/357796370.db2.gz CNTQKPYAHVCQLR-NWDGAFQWSA-N 1 2 322.365 1.286 20 5 DDBDLO C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000599020776 357796374 /nfs/dbraw/zinc/79/63/74/357796374.db2.gz CNTQKPYAHVCQLR-NWDGAFQWSA-N 1 2 322.365 1.286 20 5 DDBDLO CNC(=O)[C@@H](C)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599056255 357804158 /nfs/dbraw/zinc/80/41/58/357804158.db2.gz UUCVYOZGUNEPTG-JTQLQIEISA-N 1 2 302.334 1.961 20 5 DDBDLO CNC(=O)[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599064495 357805765 /nfs/dbraw/zinc/80/57/65/357805765.db2.gz BPLNXKMQFGBBSM-CYBMUJFWSA-N 1 2 316.317 1.094 20 5 DDBDLO COC(=O)C[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599164554 357835492 /nfs/dbraw/zinc/83/54/92/357835492.db2.gz LBDSKXWILJOKFD-SNVBAGLBSA-N 1 2 305.290 1.479 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536844 357965621 /nfs/dbraw/zinc/96/56/21/357965621.db2.gz UPFJWIKXUPEAJI-UHFFFAOYSA-N 1 2 301.302 1.478 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536844 357965626 /nfs/dbraw/zinc/96/56/26/357965626.db2.gz UPFJWIKXUPEAJI-UHFFFAOYSA-N 1 2 301.302 1.478 20 5 DDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000276677653 213041170 /nfs/dbraw/zinc/04/11/70/213041170.db2.gz ZNUSNJBWXNHTIM-LBPRGKRZSA-N 1 2 323.349 1.371 20 5 DDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000276677653 213041173 /nfs/dbraw/zinc/04/11/73/213041173.db2.gz ZNUSNJBWXNHTIM-LBPRGKRZSA-N 1 2 323.349 1.371 20 5 DDBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000276677646 213041193 /nfs/dbraw/zinc/04/11/93/213041193.db2.gz ZNUSNJBWXNHTIM-GFCCVEGCSA-N 1 2 323.349 1.371 20 5 DDBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000276677646 213041196 /nfs/dbraw/zinc/04/11/96/213041196.db2.gz ZNUSNJBWXNHTIM-GFCCVEGCSA-N 1 2 323.349 1.371 20 5 DDBDLO CO[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600776888 358313114 /nfs/dbraw/zinc/31/31/14/358313114.db2.gz UGUHSIDZDZSUGB-HAQNSBGRSA-N 1 2 316.317 1.688 20 5 DDBDLO C[C@@H]1C[N@@H+](CCN(C)c2ncc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601155590 358424666 /nfs/dbraw/zinc/42/46/66/358424666.db2.gz BCDWIPRPSSSARV-PHIMTYICSA-N 1 2 312.345 1.674 20 5 DDBDLO C[C@@H]1C[N@H+](CCN(C)c2ncc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601155590 358424669 /nfs/dbraw/zinc/42/46/69/358424669.db2.gz BCDWIPRPSSSARV-PHIMTYICSA-N 1 2 312.345 1.674 20 5 DDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601648163 358635792 /nfs/dbraw/zinc/63/57/92/358635792.db2.gz GECZKYHIHRIRKO-UHFFFAOYSA-N 1 2 323.324 1.327 20 5 DDBDLO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000602167816 358860004 /nfs/dbraw/zinc/86/00/04/358860004.db2.gz BRHZSJJMMOCEKI-RYUDHWBXSA-N 1 2 307.350 1.759 20 5 DDBDLO Cn1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000602433868 358974010 /nfs/dbraw/zinc/97/40/10/358974010.db2.gz RZTHDDSMIFDNNZ-UHFFFAOYSA-N 1 2 304.306 1.689 20 5 DDBDLO Cn1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000602433868 358974014 /nfs/dbraw/zinc/97/40/14/358974014.db2.gz RZTHDDSMIFDNNZ-UHFFFAOYSA-N 1 2 304.306 1.689 20 5 DDBDLO Cn1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602461665 358993550 /nfs/dbraw/zinc/99/35/50/358993550.db2.gz ZGGVCIIXCOYLGX-UHFFFAOYSA-N 1 2 324.381 1.882 20 5 DDBDLO Cc1ccc(C[N@@H+](CCO)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602603742 359066561 /nfs/dbraw/zinc/06/65/61/359066561.db2.gz UTKPXZABZYPMNV-UHFFFAOYSA-N 1 2 304.350 1.631 20 5 DDBDLO Cc1ccc(C[N@H+](CCO)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602603742 359066566 /nfs/dbraw/zinc/06/65/66/359066566.db2.gz UTKPXZABZYPMNV-UHFFFAOYSA-N 1 2 304.350 1.631 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000602834287 359225424 /nfs/dbraw/zinc/22/54/24/359225424.db2.gz YGWBIRFOPXIWAI-WOOQEGAKSA-N 1 2 314.411 1.331 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000602834287 359225426 /nfs/dbraw/zinc/22/54/26/359225426.db2.gz YGWBIRFOPXIWAI-WOOQEGAKSA-N 1 2 314.411 1.331 20 5 DDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814718 359210336 /nfs/dbraw/zinc/21/03/36/359210336.db2.gz GOYOECVNIBRLDI-USWWRNFRSA-N 1 2 308.338 1.102 20 5 DDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814718 359210338 /nfs/dbraw/zinc/21/03/38/359210338.db2.gz GOYOECVNIBRLDI-USWWRNFRSA-N 1 2 308.338 1.102 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602903567 359284313 /nfs/dbraw/zinc/28/43/13/359284313.db2.gz RFJYVRZZAWRKEY-SWLSCSKDSA-N 1 2 317.349 1.648 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602903567 359284319 /nfs/dbraw/zinc/28/43/19/359284319.db2.gz RFJYVRZZAWRKEY-SWLSCSKDSA-N 1 2 317.349 1.648 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187196431 200075076 /nfs/dbraw/zinc/07/50/76/200075076.db2.gz BPUVHNADUULGAL-UHFFFAOYSA-N 1 2 305.294 1.054 20 5 DDBDLO Cc1cccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000187279202 200087564 /nfs/dbraw/zinc/08/75/64/200087564.db2.gz CAUNTSQEQLZORW-GFCCVEGCSA-N 1 2 307.350 1.042 20 5 DDBDLO Cc1cccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000187279202 200087565 /nfs/dbraw/zinc/08/75/65/200087565.db2.gz CAUNTSQEQLZORW-GFCCVEGCSA-N 1 2 307.350 1.042 20 5 DDBDLO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000609135886 360264155 /nfs/dbraw/zinc/26/41/55/360264155.db2.gz ZDSLSOHLJXZWKA-GFCCVEGCSA-N 1 2 307.350 1.903 20 5 DDBDLO COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000609991772 360369531 /nfs/dbraw/zinc/36/95/31/360369531.db2.gz RACUHBTUWMDMAG-CYBMUJFWSA-N 1 2 321.333 1.804 20 5 DDBDLO COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000609991772 360369537 /nfs/dbraw/zinc/36/95/37/360369537.db2.gz RACUHBTUWMDMAG-CYBMUJFWSA-N 1 2 321.333 1.804 20 5 DDBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272432 360685466 /nfs/dbraw/zinc/68/54/66/360685466.db2.gz MHBONCGICPRCCS-LLVKDONJSA-N 1 2 308.334 1.977 20 5 DDBDLO C[C@@H]1COCCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272432 360685474 /nfs/dbraw/zinc/68/54/74/360685474.db2.gz MHBONCGICPRCCS-LLVKDONJSA-N 1 2 308.334 1.977 20 5 DDBDLO CCN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030670 360895307 /nfs/dbraw/zinc/89/53/07/360895307.db2.gz WIWJMUGNOLWRJS-ZIAGYGMSSA-N 1 2 323.393 1.361 20 5 DDBDLO CCN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030670 360895309 /nfs/dbraw/zinc/89/53/09/360895309.db2.gz WIWJMUGNOLWRJS-ZIAGYGMSSA-N 1 2 323.393 1.361 20 5 DDBDLO CNc1c(C(=O)N2CCn3cc(C)[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000613240054 361344441 /nfs/dbraw/zinc/34/44/41/361344441.db2.gz USKZIQYFLADOII-UHFFFAOYSA-N 1 2 315.333 1.797 20 5 DDBDLO Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193666606 201099547 /nfs/dbraw/zinc/09/95/47/201099547.db2.gz FIGPXLNUZRBQKC-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193773981 201121179 /nfs/dbraw/zinc/12/11/79/201121179.db2.gz OXINXACUXIVOKA-LLVKDONJSA-N 1 2 308.294 1.213 20 5 DDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193773981 201121183 /nfs/dbraw/zinc/12/11/83/201121183.db2.gz OXINXACUXIVOKA-LLVKDONJSA-N 1 2 308.294 1.213 20 5 DDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC[NH+](C)CC1 ZINC000613953738 361639797 /nfs/dbraw/zinc/63/97/97/361639797.db2.gz DMYZUNNPCKJIRY-JTQLQIEISA-N 1 2 307.350 1.761 20 5 DDBDLO COc1c(C(=O)NCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000359125823 299333200 /nfs/dbraw/zinc/33/32/00/299333200.db2.gz NTFKRHAMZVFMOO-UHFFFAOYSA-N 1 2 316.317 1.840 20 5 DDBDLO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1O ZINC000619574140 364067402 /nfs/dbraw/zinc/06/74/02/364067402.db2.gz SMPXIQGRWPYSLM-UHFFFAOYSA-N 1 2 305.334 1.659 20 5 DDBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC(=O)N(C)C1=O ZINC000282466357 217016218 /nfs/dbraw/zinc/01/62/18/217016218.db2.gz KHMVZWQSKGVXKR-CYBMUJFWSA-N 1 2 323.324 1.703 20 5 DDBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC(=O)N(C)C1=O ZINC000282466357 217016221 /nfs/dbraw/zinc/01/62/21/217016221.db2.gz KHMVZWQSKGVXKR-CYBMUJFWSA-N 1 2 323.324 1.703 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330656701 296234335 /nfs/dbraw/zinc/23/43/35/296234335.db2.gz QRVXKPOASDWROL-GXFFZTMASA-N 1 2 313.379 1.409 20 5 DDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330656701 296234336 /nfs/dbraw/zinc/23/43/36/296234336.db2.gz QRVXKPOASDWROL-GXFFZTMASA-N 1 2 313.379 1.409 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)C2CCOCC2)c(F)c1 ZINC000285271531 218359916 /nfs/dbraw/zinc/35/99/16/218359916.db2.gz JOZYGSCPKBKFEY-UHFFFAOYSA-N 1 2 316.304 1.846 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)C2CCOCC2)c(F)c1 ZINC000285271531 218359920 /nfs/dbraw/zinc/35/99/20/218359920.db2.gz JOZYGSCPKBKFEY-UHFFFAOYSA-N 1 2 316.304 1.846 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110923074 194369846 /nfs/dbraw/zinc/36/98/46/194369846.db2.gz IQZHJNXXBGIMOO-UHFFFAOYSA-N 1 2 307.350 1.389 20 5 DDBDLO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000330367973 285186699 /nfs/dbraw/zinc/18/66/99/285186699.db2.gz JDODQTYUUGTRNG-UHFFFAOYSA-N 1 2 307.350 1.857 20 5 DDBDLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000457850033 533267769 /nfs/dbraw/zinc/26/77/69/533267769.db2.gz GHSSOLAUBXSZKO-SNVBAGLBSA-N 1 2 320.324 1.930 20 5 DDBDLO C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000569521443 304360047 /nfs/dbraw/zinc/36/00/47/304360047.db2.gz OWBJKIQYNARYJG-QWHCGFSZSA-N 1 2 321.377 1.535 20 5 DDBDLO C[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000569521443 304360049 /nfs/dbraw/zinc/36/00/49/304360049.db2.gz OWBJKIQYNARYJG-QWHCGFSZSA-N 1 2 321.377 1.535 20 5 DDBDLO COc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000010237263 406821517 /nfs/dbraw/zinc/82/15/17/406821517.db2.gz HNOLVPWEBFAPOY-UHFFFAOYSA-N 1 2 304.306 1.609 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093384367 407197009 /nfs/dbraw/zinc/19/70/09/407197009.db2.gz JQILBSMPOXWWBW-WMADIVHISA-N 1 2 312.391 1.973 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093384367 407197011 /nfs/dbraw/zinc/19/70/11/407197011.db2.gz JQILBSMPOXWWBW-WMADIVHISA-N 1 2 312.391 1.973 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272146392 407792699 /nfs/dbraw/zinc/79/26/99/407792699.db2.gz AYFXCDWTGLWYBQ-UHFFFAOYSA-N 1 2 318.289 1.329 20 5 DDBDLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000182312583 306703867 /nfs/dbraw/zinc/70/38/67/306703867.db2.gz UEEDMMRCVHHGCF-SNVBAGLBSA-N 1 2 306.297 1.850 20 5 DDBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154196372 407993727 /nfs/dbraw/zinc/99/37/27/407993727.db2.gz SLEDFWOILNSCFF-LDYMZIIASA-N 1 2 300.746 1.774 20 5 DDBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154196372 407993729 /nfs/dbraw/zinc/99/37/29/407993729.db2.gz SLEDFWOILNSCFF-LDYMZIIASA-N 1 2 300.746 1.774 20 5 DDBDLO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154196263 407994047 /nfs/dbraw/zinc/99/40/47/407994047.db2.gz SLEDFWOILNSCFF-GZMMTYOYSA-N 1 2 300.746 1.774 20 5 DDBDLO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154196263 407994051 /nfs/dbraw/zinc/99/40/51/407994051.db2.gz SLEDFWOILNSCFF-GZMMTYOYSA-N 1 2 300.746 1.774 20 5 DDBDLO Cn1ccnc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273260299 408128959 /nfs/dbraw/zinc/12/89/59/408128959.db2.gz ZFPLYFWCFATJRX-GFCCVEGCSA-N 1 2 320.349 1.200 20 5 DDBDLO Cn1ccnc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273260299 408128963 /nfs/dbraw/zinc/12/89/63/408128963.db2.gz ZFPLYFWCFATJRX-GFCCVEGCSA-N 1 2 320.349 1.200 20 5 DDBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000269547741 408350288 /nfs/dbraw/zinc/35/02/88/408350288.db2.gz CWUYKHNKAMTHCB-AWEZNQCLSA-N 1 2 308.382 1.399 20 5 DDBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000269547741 408350294 /nfs/dbraw/zinc/35/02/94/408350294.db2.gz CWUYKHNKAMTHCB-AWEZNQCLSA-N 1 2 308.382 1.399 20 5 DDBDLO CC(=O)N1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269626920 408365172 /nfs/dbraw/zinc/36/51/72/408365172.db2.gz CYLURKASSIGIJC-XHDPSFHLSA-N 1 2 307.350 1.181 20 5 DDBDLO CC(=O)N1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269626920 408365176 /nfs/dbraw/zinc/36/51/76/408365176.db2.gz CYLURKASSIGIJC-XHDPSFHLSA-N 1 2 307.350 1.181 20 5 DDBDLO COc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000269860494 408452187 /nfs/dbraw/zinc/45/21/87/408452187.db2.gz JHAIQFHUOHPBOB-UHFFFAOYSA-N 1 2 308.334 1.942 20 5 DDBDLO COc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000269860494 408452193 /nfs/dbraw/zinc/45/21/93/408452193.db2.gz JHAIQFHUOHPBOB-UHFFFAOYSA-N 1 2 308.334 1.942 20 5 DDBDLO Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000264172517 408389923 /nfs/dbraw/zinc/38/99/23/408389923.db2.gz ACGKAAKWCBAZMK-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000275821905 408686800 /nfs/dbraw/zinc/68/68/00/408686800.db2.gz NBQMGTFVNUTPFH-SECBINFHSA-N 1 2 300.746 1.146 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185138687 408766332 /nfs/dbraw/zinc/76/63/32/408766332.db2.gz ACYDQPDZYWSBFV-OAHLLOKOSA-N 1 2 308.334 1.465 20 5 DDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185138687 408766338 /nfs/dbraw/zinc/76/63/38/408766338.db2.gz ACYDQPDZYWSBFV-OAHLLOKOSA-N 1 2 308.334 1.465 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000192567121 163228205 /nfs/dbraw/zinc/22/82/05/163228205.db2.gz WTFKETQUXVAXLR-ZYHUDNBSSA-N 1 2 311.386 1.641 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278975912 409124245 /nfs/dbraw/zinc/12/42/45/409124245.db2.gz ZVGZZUWKKQNCKC-LBPRGKRZSA-N 1 2 322.365 1.779 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000283980887 409252233 /nfs/dbraw/zinc/25/22/33/409252233.db2.gz HJVHWGRADARSSY-KGLIPLIRSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000283980887 409252236 /nfs/dbraw/zinc/25/22/36/409252236.db2.gz HJVHWGRADARSSY-KGLIPLIRSA-N 1 2 319.361 1.448 20 5 DDBDLO Cn1cc([C@H](CO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000285372394 409415424 /nfs/dbraw/zinc/41/54/24/409415424.db2.gz CEAHOTJUEUQRQK-ZDUSSCGKSA-N 1 2 312.276 1.430 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)c1 ZINC000313268573 409803822 /nfs/dbraw/zinc/80/38/22/409803822.db2.gz WJSINKWXLDUEKH-UHFFFAOYSA-N 1 2 304.306 1.770 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000349642004 409894714 /nfs/dbraw/zinc/89/47/14/409894714.db2.gz ANJJUGUKYDNXOH-UHFFFAOYSA-N 1 2 302.338 1.590 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332233309 410002647 /nfs/dbraw/zinc/00/26/47/410002647.db2.gz PBYMTHVFZRUING-CHWSQXEVSA-N 1 2 306.322 1.142 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332233309 410002651 /nfs/dbraw/zinc/00/26/51/410002651.db2.gz PBYMTHVFZRUING-CHWSQXEVSA-N 1 2 306.322 1.142 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000332616836 410188908 /nfs/dbraw/zinc/18/89/08/410188908.db2.gz LQAIZXUYPYFTBN-UHFFFAOYSA-N 1 2 322.346 1.304 20 5 DDBDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352024161 410423551 /nfs/dbraw/zinc/42/35/51/410423551.db2.gz DQXVGXQJHHSSNH-IUCAKERBSA-N 1 2 313.304 1.959 20 5 DDBDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352024161 410423555 /nfs/dbraw/zinc/42/35/55/410423555.db2.gz DQXVGXQJHHSSNH-IUCAKERBSA-N 1 2 313.304 1.959 20 5 DDBDLO COc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000359452872 410670152 /nfs/dbraw/zinc/67/01/52/410670152.db2.gz BGNXMKHPTGWSMP-UHFFFAOYSA-N 1 2 302.290 1.456 20 5 DDBDLO Cc1nn(C)c(NCc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000301118336 410659132 /nfs/dbraw/zinc/65/91/32/410659132.db2.gz RGWGFZHRBYYTTN-UHFFFAOYSA-N 1 2 313.321 1.830 20 5 DDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340221651 410766623 /nfs/dbraw/zinc/76/66/23/410766623.db2.gz HDQGSCWMHURKBD-MFKMUULPSA-N 1 2 320.349 1.051 20 5 DDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340221651 410766630 /nfs/dbraw/zinc/76/66/30/410766630.db2.gz HDQGSCWMHURKBD-MFKMUULPSA-N 1 2 320.349 1.051 20 5 DDBDLO COc1cc(NCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000343904944 410797028 /nfs/dbraw/zinc/79/70/28/410797028.db2.gz CHOJFHVTUZZJCO-SNVBAGLBSA-N 1 2 313.329 1.875 20 5 DDBDLO COc1cc(NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000343904944 410797035 /nfs/dbraw/zinc/79/70/35/410797035.db2.gz CHOJFHVTUZZJCO-SNVBAGLBSA-N 1 2 313.329 1.875 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000134426252 196390035 /nfs/dbraw/zinc/39/00/35/196390035.db2.gz RPQNLEGNTKKERK-UONOGXRCSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000134426252 196390037 /nfs/dbraw/zinc/39/00/37/196390037.db2.gz RPQNLEGNTKKERK-UONOGXRCSA-N 1 2 320.349 1.450 20 5 DDBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000373838231 418464704 /nfs/dbraw/zinc/46/47/04/418464704.db2.gz CFYLHIVBSAHRIF-UHFFFAOYSA-N 1 2 316.317 1.974 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000192628702 418525083 /nfs/dbraw/zinc/52/50/83/418525083.db2.gz MDIOSKNBMMMHRP-GFCCVEGCSA-N 1 2 309.370 1.031 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000366910014 418535852 /nfs/dbraw/zinc/53/58/52/418535852.db2.gz ITDCZFOEFJGCFF-WXHSDQCUSA-N 1 2 309.753 1.478 20 5 DDBDLO O=C(C1CC1)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000360960671 418555858 /nfs/dbraw/zinc/55/58/58/418555858.db2.gz ZTWIZYBICJXYMT-HNNXBMFYSA-N 1 2 304.346 1.817 20 5 DDBDLO O=C(C1CC1)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000360960671 418555861 /nfs/dbraw/zinc/55/58/61/418555861.db2.gz ZTWIZYBICJXYMT-HNNXBMFYSA-N 1 2 304.346 1.817 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375617319 418663520 /nfs/dbraw/zinc/66/35/20/418663520.db2.gz HPUUFQLDMUPKME-MRXNPFEDSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375617319 418663521 /nfs/dbraw/zinc/66/35/21/418663521.db2.gz HPUUFQLDMUPKME-MRXNPFEDSA-N 1 2 322.361 1.985 20 5 DDBDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354281 418859880 /nfs/dbraw/zinc/85/98/80/418859880.db2.gz IWVNDPRTWKXQLV-NEPJUHHUSA-N 1 2 310.354 1.770 20 5 DDBDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354281 418859883 /nfs/dbraw/zinc/85/98/83/418859883.db2.gz IWVNDPRTWKXQLV-NEPJUHHUSA-N 1 2 310.354 1.770 20 5 DDBDLO Nc1[nH+]cnc(N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365459203 418863891 /nfs/dbraw/zinc/86/38/91/418863891.db2.gz GEEIKHSSBDITSU-QMMMGPOBSA-N 1 2 323.744 1.658 20 5 DDBDLO Nc1nc[nH+]c(N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365459203 418863893 /nfs/dbraw/zinc/86/38/93/418863893.db2.gz GEEIKHSSBDITSU-QMMMGPOBSA-N 1 2 323.744 1.658 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@]3(CCO)CCOC3)[nH]c2c1 ZINC000428362455 419852824 /nfs/dbraw/zinc/85/28/24/419852824.db2.gz WFLHAQRIGXZCRF-AWEZNQCLSA-N 1 2 306.322 1.094 20 5 DDBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428358744 419853837 /nfs/dbraw/zinc/85/38/37/419853837.db2.gz ODKPHHONYPYIEB-NSHDSACASA-N 1 2 316.317 1.301 20 5 DDBDLO Cc1sc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428357909 419855759 /nfs/dbraw/zinc/85/57/59/419855759.db2.gz GFGHYCDWZMIKRF-SECBINFHSA-N 1 2 306.347 1.906 20 5 DDBDLO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436996537 420391813 /nfs/dbraw/zinc/39/18/13/420391813.db2.gz CLPQEOBXWQIDJB-UHFFFAOYSA-N 1 2 305.334 1.682 20 5 DDBDLO CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436996537 420391816 /nfs/dbraw/zinc/39/18/16/420391816.db2.gz CLPQEOBXWQIDJB-UHFFFAOYSA-N 1 2 305.334 1.682 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000450828691 420541815 /nfs/dbraw/zinc/54/18/15/420541815.db2.gz KVRSRRUMAHUFHY-QMMMGPOBSA-N 1 2 304.310 1.478 20 5 DDBDLO O=c1[nH]c(NCCCn2cc[nH+]c2)nc2ccc([N+](=O)[O-])cc21 ZINC000439135030 420481474 /nfs/dbraw/zinc/48/14/74/420481474.db2.gz VAXCXUKMHGJRIU-UHFFFAOYSA-N 1 2 314.305 1.942 20 5 DDBDLO CCc1n[nH]c(C(=O)NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000456863122 420557159 /nfs/dbraw/zinc/55/71/59/420557159.db2.gz QLUMQZDGRXPTDK-UHFFFAOYSA-N 1 2 303.322 1.822 20 5 DDBDLO O=C1N=NC(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)O1 ZINC000450918156 420559634 /nfs/dbraw/zinc/55/96/34/420559634.db2.gz GYCXLWUDKIYSAE-UHFFFAOYSA-N 1 2 320.305 1.769 20 5 DDBDLO CNc1nc(C(=O)NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000454153334 420807933 /nfs/dbraw/zinc/80/79/33/420807933.db2.gz JHSUYGDYSRSIPH-UHFFFAOYSA-N 1 2 304.310 1.048 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448939539 420919850 /nfs/dbraw/zinc/91/98/50/420919850.db2.gz XQUMBLSLHKHJMC-UHFFFAOYSA-N 1 2 316.317 1.939 20 5 DDBDLO O=C1OCC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494031220 420981989 /nfs/dbraw/zinc/98/19/89/420981989.db2.gz CILKRQITQDKHNF-ZDUSSCGKSA-N 1 2 321.333 1.500 20 5 DDBDLO O=C1OCC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494031220 420981994 /nfs/dbraw/zinc/98/19/94/420981994.db2.gz CILKRQITQDKHNF-ZDUSSCGKSA-N 1 2 321.333 1.500 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000449527478 421022026 /nfs/dbraw/zinc/02/20/26/421022026.db2.gz IQTLNQPJWRMAOK-ZDUSSCGKSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000449527478 421022029 /nfs/dbraw/zinc/02/20/29/421022029.db2.gz IQTLNQPJWRMAOK-ZDUSSCGKSA-N 1 2 312.391 1.994 20 5 DDBDLO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000449541043 421024262 /nfs/dbraw/zinc/02/42/62/421024262.db2.gz YPWTXBFCSLJSMP-TXEJJXNPSA-N 1 2 309.366 1.187 20 5 DDBDLO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000449541043 421024266 /nfs/dbraw/zinc/02/42/66/421024266.db2.gz YPWTXBFCSLJSMP-TXEJJXNPSA-N 1 2 309.366 1.187 20 5 DDBDLO C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000548084529 421398721 /nfs/dbraw/zinc/39/87/21/421398721.db2.gz FTZUTAPNNSWFHF-CYBMUJFWSA-N 1 2 315.333 1.447 20 5 DDBDLO C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000548084529 421398724 /nfs/dbraw/zinc/39/87/24/421398724.db2.gz FTZUTAPNNSWFHF-CYBMUJFWSA-N 1 2 315.333 1.447 20 5 DDBDLO Cc1noc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000562983671 421433785 /nfs/dbraw/zinc/43/37/85/421433785.db2.gz CVKJHZSZMXNSTD-UHFFFAOYSA-N 1 2 305.294 1.405 20 5 DDBDLO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000540932518 421777355 /nfs/dbraw/zinc/77/73/55/421777355.db2.gz CPYOISRWWXLIBB-LLVKDONJSA-N 1 2 307.350 1.761 20 5 DDBDLO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000540932518 421777358 /nfs/dbraw/zinc/77/73/58/421777358.db2.gz CPYOISRWWXLIBB-LLVKDONJSA-N 1 2 307.350 1.761 20 5 DDBDLO CN1CCC[C@@H]([N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000575910802 422346894 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ZINC000293090839 534751133 /nfs/dbraw/zinc/75/11/33/534751133.db2.gz KICOGRPPNLRHSE-UHFFFAOYSA-N 1 2 315.333 1.276 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000413023465 534888236 /nfs/dbraw/zinc/88/82/36/534888236.db2.gz JCZOFBUXMAUJOK-UHFFFAOYSA-N 1 2 303.297 1.851 20 5 DDBDLO CC[C@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000119525034 696681814 /nfs/dbraw/zinc/68/18/14/696681814.db2.gz CWHOMFHFGMNYHZ-JTQLQIEISA-N 1 2 303.318 1.880 20 5 DDBDLO CC[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000119525034 696681815 /nfs/dbraw/zinc/68/18/15/696681815.db2.gz CWHOMFHFGMNYHZ-JTQLQIEISA-N 1 2 303.318 1.880 20 5 DDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748263225 700108602 /nfs/dbraw/zinc/10/86/02/700108602.db2.gz KHOXVWSNFLWAKZ-YPMHNXCESA-N 1 2 315.333 1.255 20 5 DDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748263225 700108603 /nfs/dbraw/zinc/10/86/03/700108603.db2.gz 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C[C@]1(O)CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794673259 699823125 /nfs/dbraw/zinc/82/31/25/699823125.db2.gz STIHLKNTOWUDIO-HNNXBMFYSA-N 1 2 321.333 1.697 20 5 DDBDLO C[C@]1(O)CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794673259 699823127 /nfs/dbraw/zinc/82/31/27/699823127.db2.gz STIHLKNTOWUDIO-HNNXBMFYSA-N 1 2 321.333 1.697 20 5 DDBDLO Cc1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000771149315 701311383 /nfs/dbraw/zinc/31/13/83/701311383.db2.gz ZFKJMLPNXVOFAC-OAQYLSRUSA-N 1 2 311.407 1.404 20 5 DDBDLO O=C(OCCn1cc[nH+]c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771873793 701334914 /nfs/dbraw/zinc/33/49/14/701334914.db2.gz JNEUNPJAFBLXKW-UHFFFAOYSA-N 1 2 305.246 1.377 20 5 DDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000843800594 702925978 /nfs/dbraw/zinc/92/59/78/702925978.db2.gz SHWRUTDODWMPCA-UHFFFAOYSA-N 1 2 304.281 1.936 20 5 DDBDLO C[C@H](O)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849766690 703676019 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/nfs/dbraw/zinc/77/42/42/418774242.db2.gz NKZCDCCTXXITAV-SNVBAGLBSA-N 1 2 300.318 1.914 20 5 DDBDLO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1O ZINC000371602165 418803730 /nfs/dbraw/zinc/80/37/30/418803730.db2.gz OOFDBGWBQQYXJR-MNOVXSKESA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1O ZINC000371602165 418803732 /nfs/dbraw/zinc/80/37/32/418803732.db2.gz OOFDBGWBQQYXJR-MNOVXSKESA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000364818353 418812432 /nfs/dbraw/zinc/81/24/32/418812432.db2.gz YXLKRQNQTOIMAQ-LLVKDONJSA-N 1 2 305.334 1.611 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000364818353 418812434 /nfs/dbraw/zinc/81/24/34/418812434.db2.gz YXLKRQNQTOIMAQ-LLVKDONJSA-N 1 2 305.334 1.611 20 5 DDBDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354284 418860514 /nfs/dbraw/zinc/86/05/14/418860514.db2.gz IWVNDPRTWKXQLV-VXGBXAGGSA-N 1 2 310.354 1.770 20 5 DDBDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372354284 418860516 /nfs/dbraw/zinc/86/05/16/418860516.db2.gz IWVNDPRTWKXQLV-VXGBXAGGSA-N 1 2 310.354 1.770 20 5 DDBDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000411371932 418898012 /nfs/dbraw/zinc/89/80/12/418898012.db2.gz BFSSIRFHLNPMFR-GXSJLCMTSA-N 1 2 317.353 1.664 20 5 DDBDLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000411371932 418898014 /nfs/dbraw/zinc/89/80/14/418898014.db2.gz BFSSIRFHLNPMFR-GXSJLCMTSA-N 1 2 317.353 1.664 20 5 DDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444682087 230118998 /nfs/dbraw/zinc/11/89/98/230118998.db2.gz YQYRPJYLFKUCMU-UHFFFAOYSA-N 1 2 320.353 1.174 20 5 DDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444682087 230118999 /nfs/dbraw/zinc/11/89/99/230118999.db2.gz YQYRPJYLFKUCMU-UHFFFAOYSA-N 1 2 320.353 1.174 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444720822 230125004 /nfs/dbraw/zinc/12/50/04/230125004.db2.gz PXPDMPAVXLZHND-PSASIEDQSA-N 1 2 322.287 1.464 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444720822 230125008 /nfs/dbraw/zinc/12/50/08/230125008.db2.gz PXPDMPAVXLZHND-PSASIEDQSA-N 1 2 322.287 1.464 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000492724830 420642067 /nfs/dbraw/zinc/64/20/67/420642067.db2.gz USFFVTLOUFRMCP-CYBMUJFWSA-N 1 2 319.361 1.800 20 5 DDBDLO CCOc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000492724830 420642069 /nfs/dbraw/zinc/64/20/69/420642069.db2.gz USFFVTLOUFRMCP-CYBMUJFWSA-N 1 2 319.361 1.800 20 5 DDBDLO C[C@H]1C[N@H+](C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448945489 420920129 /nfs/dbraw/zinc/92/01/29/420920129.db2.gz IPOYDIDNMIWMJK-LBPRGKRZSA-N 1 2 319.361 1.720 20 5 DDBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448945489 420920133 /nfs/dbraw/zinc/92/01/33/420920133.db2.gz IPOYDIDNMIWMJK-LBPRGKRZSA-N 1 2 319.361 1.720 20 5 DDBDLO O=C(NCCNc1cccc[nH+]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000479451205 420979372 /nfs/dbraw/zinc/97/93/72/420979372.db2.gz VPVDZUXGJMJGDG-UHFFFAOYSA-N 1 2 302.290 1.537 20 5 DDBDLO Cc1cccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000449650639 421045583 /nfs/dbraw/zinc/04/55/83/421045583.db2.gz LMJNRSGDZBVNFB-SNVBAGLBSA-N 1 2 313.304 1.878 20 5 DDBDLO O=C1OCC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000494133706 420997014 /nfs/dbraw/zinc/99/70/14/420997014.db2.gz NBBKLKMFQASPRO-ZDUSSCGKSA-N 1 2 321.333 1.500 20 5 DDBDLO O=C1OCC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000494133706 420997016 /nfs/dbraw/zinc/99/70/16/420997016.db2.gz NBBKLKMFQASPRO-ZDUSSCGKSA-N 1 2 321.333 1.500 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncc(F)c3)CC2)cn1 ZINC000561849854 421335900 /nfs/dbraw/zinc/33/59/00/421335900.db2.gz LQDSRIVZKGURQD-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000518429567 421653469 /nfs/dbraw/zinc/65/34/69/421653469.db2.gz SBVKJNOEBZJPJU-DGCLKSJQSA-N 1 2 323.397 1.419 20 5 DDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000519548844 421699799 /nfs/dbraw/zinc/69/97/99/421699799.db2.gz ZBWCIXRZWUTIEC-QMMMGPOBSA-N 1 2 317.305 1.353 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000556841957 421746746 /nfs/dbraw/zinc/74/67/46/421746746.db2.gz RZHXHBHDYRWLRG-UHFFFAOYSA-N 1 2 317.305 1.214 20 5 DDBDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540469673 421763069 /nfs/dbraw/zinc/76/30/69/421763069.db2.gz DHYXSZVBTBBUMT-HNNXBMFYSA-N 1 2 319.361 1.200 20 5 DDBDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540469673 421763071 /nfs/dbraw/zinc/76/30/71/421763071.db2.gz DHYXSZVBTBBUMT-HNNXBMFYSA-N 1 2 319.361 1.200 20 5 DDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541125073 421787893 /nfs/dbraw/zinc/78/78/93/421787893.db2.gz SIZQNGWHHTWTFX-UHFFFAOYSA-N 1 2 308.319 1.037 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000543545345 421838667 /nfs/dbraw/zinc/83/86/67/421838667.db2.gz KEPFKHDFOSDWED-RKDXNWHRSA-N 1 2 319.321 1.964 20 5 DDBDLO C[C@H](c1nccc(N)n1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000574700271 422161728 /nfs/dbraw/zinc/16/17/28/422161728.db2.gz GQKLQJQHFHWITC-SNVBAGLBSA-N 1 2 317.353 1.562 20 5 DDBDLO O=c1[nH]ccc2c1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339124518 271046692 /nfs/dbraw/zinc/04/66/92/271046692.db2.gz MIHHOSVMYAGNBH-UHFFFAOYSA-N 1 2 301.302 1.959 20 5 DDBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339124518 271046697 /nfs/dbraw/zinc/04/66/97/271046697.db2.gz MIHHOSVMYAGNBH-UHFFFAOYSA-N 1 2 301.302 1.959 20 5 DDBDLO CCN1CC[NH+]([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)CC1 ZINC000264454063 276202104 /nfs/dbraw/zinc/20/21/04/276202104.db2.gz IVJRKKRCAQMWEK-AWEZNQCLSA-N 1 2 319.409 1.514 20 5 DDBDLO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280926935 289308958 /nfs/dbraw/zinc/30/89/58/289308958.db2.gz KBPWKMUYJVZRHA-WDEREUQCSA-N 1 2 307.350 1.903 20 5 DDBDLO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCCC1 ZINC000261994456 295243853 /nfs/dbraw/zinc/24/38/53/295243853.db2.gz ADCOOQGSEMUKCQ-GFCCVEGCSA-N 1 2 307.350 1.938 20 5 DDBDLO Cc1ccnc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286337403 302275170 /nfs/dbraw/zinc/27/51/70/302275170.db2.gz LUQKGLDBRZWLIM-STQMWFEESA-N 1 2 306.366 1.598 20 5 DDBDLO CN1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)OC1=O ZINC000495652661 302441417 /nfs/dbraw/zinc/44/14/17/302441417.db2.gz PQVXONFIDNQWQU-GFCCVEGCSA-N 1 2 320.349 1.167 20 5 DDBDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000515571782 302778282 /nfs/dbraw/zinc/77/82/82/302778282.db2.gz HHCXGJOXZDGCJP-RKDXNWHRSA-N 1 2 307.306 1.745 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411955226 303019917 /nfs/dbraw/zinc/01/99/17/303019917.db2.gz VJYPDFKTWXEUCN-STQMWFEESA-N 1 2 302.334 1.636 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411955226 303019920 /nfs/dbraw/zinc/01/99/20/303019920.db2.gz VJYPDFKTWXEUCN-STQMWFEESA-N 1 2 302.334 1.636 20 5 DDBDLO CN(C)c1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000357319011 306876248 /nfs/dbraw/zinc/87/62/48/306876248.db2.gz TWDHPZWXBBWTAI-UHFFFAOYSA-N 1 2 316.321 1.162 20 5 DDBDLO Cc1c(CNC(=O)NCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000358307072 306939288 /nfs/dbraw/zinc/93/92/88/306939288.db2.gz JOEAZRBLMCXXFG-UHFFFAOYSA-N 1 2 317.349 1.989 20 5 DDBDLO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000364804074 307051736 /nfs/dbraw/zinc/05/17/36/307051736.db2.gz GAVRDQIHIBYRTN-WDEREUQCSA-N 1 2 305.334 1.609 20 5 DDBDLO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000364804074 307051737 /nfs/dbraw/zinc/05/17/37/307051737.db2.gz GAVRDQIHIBYRTN-WDEREUQCSA-N 1 2 305.334 1.609 20 5 DDBDLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000371273422 307146217 /nfs/dbraw/zinc/14/62/17/307146217.db2.gz NTCTZDHGXROGKL-LLVKDONJSA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000371273422 307146218 /nfs/dbraw/zinc/14/62/18/307146218.db2.gz NTCTZDHGXROGKL-LLVKDONJSA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000372564425 307170988 /nfs/dbraw/zinc/17/09/88/307170988.db2.gz VZBQEHXLCIJNDN-LLVKDONJSA-N 1 2 318.308 1.984 20 5 DDBDLO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000377385677 307268835 /nfs/dbraw/zinc/26/88/35/307268835.db2.gz HSOCRSGNKZTBJI-UPJWGTAASA-N 1 2 306.366 1.835 20 5 DDBDLO Cc1[nH+]c2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2n1C ZINC000540125758 307685046 /nfs/dbraw/zinc/68/50/46/307685046.db2.gz YHQIMAWHGYCMOF-UHFFFAOYSA-N 1 2 314.305 1.776 20 5 DDBDLO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1(C)C ZINC000569721525 308148734 /nfs/dbraw/zinc/14/87/34/308148734.db2.gz VRJPRWGAVSQDLJ-SWLSCSKDSA-N 1 2 323.349 1.771 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000569882144 308152574 /nfs/dbraw/zinc/15/25/74/308152574.db2.gz HYJLEZMIERAVQP-UHFFFAOYSA-N 1 2 324.362 1.158 20 5 DDBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nnc(C4CC4)[nH]3)CC2)n1 ZINC000488803461 484218994 /nfs/dbraw/zinc/21/89/94/484218994.db2.gz SNRWDKGFIQGHNY-UHFFFAOYSA-N 1 2 317.353 1.624 20 5 DDBDLO CCN1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000413262371 527715362 /nfs/dbraw/zinc/71/53/62/527715362.db2.gz HBVCWUPLRYYXHY-GFCCVEGCSA-N 1 2 320.328 1.735 20 5 DDBDLO CCOC1(C)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000453013073 528461165 /nfs/dbraw/zinc/46/11/65/528461165.db2.gz JNAQCYRUMUTKBR-ZDUSSCGKSA-N 1 2 310.350 1.445 20 5 DDBDLO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433014095 529134801 /nfs/dbraw/zinc/13/48/01/529134801.db2.gz QSFXAZGKOMWWKR-LLVKDONJSA-N 1 2 318.337 1.165 20 5 DDBDLO CC[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000119465335 696681293 /nfs/dbraw/zinc/68/12/93/696681293.db2.gz GEIOYZWXSIGEIY-JTQLQIEISA-N 1 2 303.318 1.880 20 5 DDBDLO CC[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000119465335 696681295 /nfs/dbraw/zinc/68/12/95/696681295.db2.gz GEIOYZWXSIGEIY-JTQLQIEISA-N 1 2 303.318 1.880 20 5 DDBDLO Nc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000728543336 699448739 /nfs/dbraw/zinc/44/87/39/699448739.db2.gz VSMNUSXDHFQJDD-LBPRGKRZSA-N 1 2 315.333 1.851 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@H+](CCF)C1 ZINC000802235282 700385413 /nfs/dbraw/zinc/38/54/13/700385413.db2.gz XSWFWUNJBQVQJI-LLVKDONJSA-N 1 2 312.297 1.561 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802235282 700385417 /nfs/dbraw/zinc/38/54/17/700385417.db2.gz XSWFWUNJBQVQJI-LLVKDONJSA-N 1 2 312.297 1.561 20 5 DDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000811589607 702014614 /nfs/dbraw/zinc/01/46/14/702014614.db2.gz YSDIJFVXMZSMHG-UHFFFAOYSA-N 1 2 319.277 1.475 20 5 DDBDLO C[C@H]1COCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853503352 704252219 /nfs/dbraw/zinc/25/22/19/704252219.db2.gz RAIZUZSUAAKGEX-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO C[C@H]1COCCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853503352 704252221 /nfs/dbraw/zinc/25/22/21/704252221.db2.gz RAIZUZSUAAKGEX-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO CC(C)OC[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000854141998 704360993 /nfs/dbraw/zinc/36/09/93/704360993.db2.gz BSLPYDBTHBAEFA-NSHDSACASA-N 1 2 307.310 1.388 20 5 DDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821385177 704401337 /nfs/dbraw/zinc/40/13/37/704401337.db2.gz HLYYNYQFIPEDSA-KCPJHIHWSA-N 1 2 312.329 1.636 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc21 ZINC000857991182 704657985 /nfs/dbraw/zinc/65/79/85/704657985.db2.gz VOGZJHMQSYHNRJ-JTQLQIEISA-N 1 2 302.290 1.431 20 5 DDBDLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880415868 706967502 /nfs/dbraw/zinc/96/75/02/706967502.db2.gz BIVIFBOAFPJJCH-AMIZOPFISA-N 1 2 311.725 1.253 20 5 DDBDLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880415868 706967503 /nfs/dbraw/zinc/96/75/03/706967503.db2.gz BIVIFBOAFPJJCH-AMIZOPFISA-N 1 2 311.725 1.253 20 5 DDBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000823398071 705231233 /nfs/dbraw/zinc/23/12/33/705231233.db2.gz XBBXGZFBBVXANM-ZETCQYMHSA-N 1 2 323.309 1.705 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000824725961 705516616 /nfs/dbraw/zinc/51/66/16/705516616.db2.gz BKZCIZSVDHXCIW-GFCCVEGCSA-N 1 2 317.248 1.705 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000824725961 705516619 /nfs/dbraw/zinc/51/66/19/705516619.db2.gz BKZCIZSVDHXCIW-GFCCVEGCSA-N 1 2 317.248 1.705 20 5 DDBDLO CCC(=O)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000826568815 705816650 /nfs/dbraw/zinc/81/66/50/705816650.db2.gz RKUUMKVGQWTNIY-CYBMUJFWSA-N 1 2 319.361 1.443 20 5 DDBDLO CCC(=O)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000826568815 705816655 /nfs/dbraw/zinc/81/66/55/705816655.db2.gz RKUUMKVGQWTNIY-CYBMUJFWSA-N 1 2 319.361 1.443 20 5 DDBDLO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@H]21 ZINC000827287793 705968954 /nfs/dbraw/zinc/96/89/54/705968954.db2.gz LPEYJWMWRQSAMU-GXFFZTMASA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@H]21 ZINC000827287793 705968955 /nfs/dbraw/zinc/96/89/55/705968955.db2.gz LPEYJWMWRQSAMU-GXFFZTMASA-N 1 2 305.334 1.467 20 5 DDBDLO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC1CCCC1 ZINC000877469540 706116435 /nfs/dbraw/zinc/11/64/35/706116435.db2.gz PSHBKLVEPIEKMC-UNXYVOJBSA-N 1 2 322.365 1.959 20 5 DDBDLO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000880562624 707019222 /nfs/dbraw/zinc/01/92/22/707019222.db2.gz PFGSIRJBSYKRJI-ZDUSSCGKSA-N 1 2 314.725 1.358 20 5 DDBDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000880562624 707019224 /nfs/dbraw/zinc/01/92/24/707019224.db2.gz PFGSIRJBSYKRJI-ZDUSSCGKSA-N 1 2 314.725 1.358 20 5 DDBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839477118 708050521 /nfs/dbraw/zinc/05/05/21/708050521.db2.gz VYJVQMMDXUTPLD-ZIAGYGMSSA-N 1 2 300.318 1.213 20 5 DDBDLO CCc1nn(C)c(N2CCc3c([nH+]cn3CC)C2)c1[N+](=O)[O-] ZINC000896660269 708110648 /nfs/dbraw/zinc/11/06/48/708110648.db2.gz MKJRYSSKVUTPTC-UHFFFAOYSA-N 1 2 304.354 1.670 20 5 DDBDLO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913278528 713189562 /nfs/dbraw/zinc/18/95/62/713189562.db2.gz HXXRQGUYUUNZQW-IYBDPMFKSA-N 1 2 319.361 1.714 20 5 DDBDLO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913278528 713189563 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307.354 1.110 20 5 DDBDLO CN1Cc2cc(NC[C@@H]3COCC[N@H+]3C)cc([N+](=O)[O-])c2N1 ZINC001169659983 762582730 /nfs/dbraw/zinc/58/27/30/762582730.db2.gz LCLHPIKHAHNOKS-GFCCVEGCSA-N 1 2 307.354 1.110 20 5 DDBDLO CCc1[nH]c(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])c[nH+]1 ZINC001156538058 763169737 /nfs/dbraw/zinc/16/97/37/763169737.db2.gz IZRVUXQVAGHSFO-UHFFFAOYSA-N 1 2 304.306 1.819 20 5 DDBDLO CCc1[nH]cc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[nH+]1 ZINC001156538058 763169743 /nfs/dbraw/zinc/16/97/43/763169743.db2.gz IZRVUXQVAGHSFO-UHFFFAOYSA-N 1 2 304.306 1.819 20 5 DDBDLO COc1c(F)cc(-n2[nH]c(=O)c(CC[NH3+])c2C)cc1[N+](=O)[O-] ZINC001170342168 766274970 /nfs/dbraw/zinc/27/49/70/766274970.db2.gz BQRRBIKLKHMBBB-UHFFFAOYSA-N 1 2 310.285 1.443 20 5 DDBDLO O=C(CCc1[nH]cc[nH+]1)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093581802 774858118 /nfs/dbraw/zinc/85/81/18/774858118.db2.gz BOYBCSBUHCNKGL-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093749993 775051591 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DDBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H](CF)C1 ZINC001119389520 781432358 /nfs/dbraw/zinc/43/23/58/781432358.db2.gz MMHMMPUPXLFQPL-XHDPSFHLSA-N 1 2 323.324 1.781 20 5 DDBDLO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001203067357 860699292 /nfs/dbraw/zinc/69/92/92/860699292.db2.gz ITXHBEHEJZZBTK-SNVBAGLBSA-N 1 2 316.321 1.053 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156891683 863421272 /nfs/dbraw/zinc/42/12/72/863421272.db2.gz OQTLTXOPEANBED-UHFFFAOYSA-N 1 2 318.337 1.100 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001225451445 881841407 /nfs/dbraw/zinc/84/14/07/881841407.db2.gz RIDWRUMPNWNWNY-NSHDSACASA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001225451445 881841422 /nfs/dbraw/zinc/84/14/22/881841422.db2.gz RIDWRUMPNWNWNY-NSHDSACASA-N 1 2 310.306 1.091 20 5 DDBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC001160691959 866032708 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ZINC001222259897 880363822 /nfs/dbraw/zinc/36/38/22/880363822.db2.gz CYDYETCXDLYFPU-LLVKDONJSA-N 1 2 301.306 1.215 20 5 DDBDLO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[nH]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227694216 883135916 /nfs/dbraw/zinc/13/59/16/883135916.db2.gz FGJIUFWFUTYLPH-MSRIBSCDSA-N 1 2 317.349 1.975 20 5 DDBDLO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[nH]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227694216 883135924 /nfs/dbraw/zinc/13/59/24/883135924.db2.gz FGJIUFWFUTYLPH-MSRIBSCDSA-N 1 2 317.349 1.975 20 5 DDBDLO COC(=O)c1cc(O[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001228769647 883660493 /nfs/dbraw/zinc/66/04/93/883660493.db2.gz WKDPWOVHDQHEMA-NSHDSACASA-N 1 2 324.333 1.481 20 5 DDBDLO C[C@H]1C[NH+](CCc2nnc(-c3[nH]cnc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258109344 898062608 /nfs/dbraw/zinc/06/26/08/898062608.db2.gz JIRCDNAKKLCUJS-IUCAKERBSA-N 1 2 322.325 1.020 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C2CCC1(CO)CC2 ZINC001262313692 900101352 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O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1Cl ZINC000792192174 699681814 /nfs/dbraw/zinc/68/18/14/699681814.db2.gz GONKJPFKSHSIMN-UHFFFAOYSA-N 1 2 323.740 1.660 20 5 DDBDLO CO[C@@H]1CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644827 699881166 /nfs/dbraw/zinc/88/11/66/699881166.db2.gz LGGKODUWGKBELG-CYBMUJFWSA-N 1 2 307.350 1.274 20 5 DDBDLO CO[C@@H]1CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644827 699881169 /nfs/dbraw/zinc/88/11/69/699881169.db2.gz LGGKODUWGKBELG-CYBMUJFWSA-N 1 2 307.350 1.274 20 5 DDBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795708913 699885538 /nfs/dbraw/zinc/88/55/38/699885538.db2.gz CCDXGDVIGVMWPC-CYBMUJFWSA-N 1 2 308.334 2.000 20 5 DDBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795708913 699885539 /nfs/dbraw/zinc/88/55/39/699885539.db2.gz CCDXGDVIGVMWPC-CYBMUJFWSA-N 1 2 308.334 2.000 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2csc([N+](=O)[O-])c2)C1 ZINC000805478203 701385156 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DDBDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000870121374 703919908 /nfs/dbraw/zinc/91/99/08/703919908.db2.gz PFTUECRZZJJTAH-NWANDNLSSA-N 1 2 303.362 1.557 20 5 DDBDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000870121373 703919969 /nfs/dbraw/zinc/91/99/69/703919969.db2.gz PFTUECRZZJJTAH-BPLDGKMQSA-N 1 2 303.362 1.557 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nc(C3CC3)no2)c1 ZINC000818967220 704037319 /nfs/dbraw/zinc/03/73/19/704037319.db2.gz ZMSKHBAJCGGAJF-GFCCVEGCSA-N 1 2 304.306 1.678 20 5 DDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC3(COC3)C2)nc1-c1ccccn1 ZINC000853598244 704281903 /nfs/dbraw/zinc/28/19/03/704281903.db2.gz PFGZVEFEMCGDCU-UHFFFAOYSA-N 1 2 315.333 1.533 20 5 DDBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC3(COC3)C2)nc1-c1ccccn1 ZINC000853598244 704281906 /nfs/dbraw/zinc/28/19/06/704281906.db2.gz PFGZVEFEMCGDCU-UHFFFAOYSA-N 1 2 315.333 1.533 20 5 DDBDLO Nc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000854495723 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CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000928641814 713246720 /nfs/dbraw/zinc/24/67/20/713246720.db2.gz XBDZYDBUDPEMJU-ZDUSSCGKSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1nc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000931624112 714141120 /nfs/dbraw/zinc/14/11/20/714141120.db2.gz DVEMBWXKQSLVKH-UHFFFAOYSA-N 1 2 302.338 1.344 20 5 DDBDLO C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000932340818 714312852 /nfs/dbraw/zinc/31/28/52/714312852.db2.gz NWDHNOQWXCUBHD-SWLSCSKDSA-N 1 2 319.361 1.811 20 5 DDBDLO C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000932340818 714312856 /nfs/dbraw/zinc/31/28/56/714312856.db2.gz NWDHNOQWXCUBHD-SWLSCSKDSA-N 1 2 319.361 1.811 20 5 DDBDLO C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000932340819 714313040 /nfs/dbraw/zinc/31/30/40/714313040.db2.gz NWDHNOQWXCUBHD-WFASDCNBSA-N 1 2 319.361 1.811 20 5 DDBDLO C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000932340819 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1.627 20 5 DDBDLO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197759780 747247993 /nfs/dbraw/zinc/24/79/93/747247993.db2.gz QVMVRLCCHBGCJN-LLVKDONJSA-N 1 2 310.329 1.627 20 5 DDBDLO COC(=O)[C@H](COC(C)(C)C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974910 762164767 /nfs/dbraw/zinc/16/47/67/762164767.db2.gz SUWCFOGMFPGYBB-TUAOUCFPSA-N 1 2 302.371 1.378 20 5 DDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2Oc3ccc(CCO)cc3O2)C1 ZINC001169004108 762173546 /nfs/dbraw/zinc/17/35/46/762173546.db2.gz PTJFEJOUWHDDBM-XUJVJEKNSA-N 1 2 308.334 1.311 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3cccc([N+](=O)[O-])c3n2)C[NH2+]1 ZINC001156243467 762187430 /nfs/dbraw/zinc/18/74/30/762187430.db2.gz VTKUSNWDJQBBBG-QWRGUYRKSA-N 1 2 316.317 1.458 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(F)c(OC)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001169132543 762249119 /nfs/dbraw/zinc/24/91/19/762249119.db2.gz PVJODVFWZGAQLO-SCZZXKLOSA-N 1 2 313.285 1.058 20 5 DDBDLO 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ZINC000290043244 221398808 /nfs/dbraw/zinc/39/88/08/221398808.db2.gz CUPDWAHUGJEVHL-RYUDHWBXSA-N 1 2 320.305 1.148 20 5 DDBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nncn1C ZINC000444684310 533471506 /nfs/dbraw/zinc/47/15/06/533471506.db2.gz LHHBPBPRLDPZTL-MRVPVSSYSA-N 1 2 301.310 1.450 20 5 DDBDLO C[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000570401373 304409938 /nfs/dbraw/zinc/40/99/38/304409938.db2.gz QWHZOQDVXIUNGH-GFCCVEGCSA-N 1 2 318.333 1.938 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](C)CC1 ZINC000072035575 406872362 /nfs/dbraw/zinc/87/23/62/406872362.db2.gz SFDOVKJBECVOIF-UHFFFAOYSA-N 1 2 324.293 1.041 20 5 DDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000015316656 406879563 /nfs/dbraw/zinc/87/95/63/406879563.db2.gz VHUAGJOEHFJKDE-UHFFFAOYSA-N 1 2 312.329 1.952 20 5 DDBDLO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076380785 406966725 /nfs/dbraw/zinc/96/67/25/406966725.db2.gz OBIONURPKDLJLW-LLVKDONJSA-N 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315.337 1.048 20 5 DDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000264181848 408392449 /nfs/dbraw/zinc/39/24/49/408392449.db2.gz BHITURQCBSGZDZ-RYUDHWBXSA-N 1 2 307.350 1.434 20 5 DDBDLO CCCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634938 408621312 /nfs/dbraw/zinc/62/13/12/408621312.db2.gz ZGBZLXSCKDMQAU-UHFFFAOYSA-N 1 2 308.338 1.262 20 5 DDBDLO CCCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634938 408621319 /nfs/dbraw/zinc/62/13/19/408621319.db2.gz ZGBZLXSCKDMQAU-UHFFFAOYSA-N 1 2 308.338 1.262 20 5 DDBDLO COc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1F ZINC000185432564 408807306 /nfs/dbraw/zinc/80/73/06/408807306.db2.gz AOROQLNVBPEBSI-BTKVJGODSA-N 1 2 318.370 1.941 20 5 DDBDLO COc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1F ZINC000185432564 408807311 /nfs/dbraw/zinc/80/73/11/408807311.db2.gz AOROQLNVBPEBSI-BTKVJGODSA-N 1 2 318.370 1.941 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211608 408781252 /nfs/dbraw/zinc/78/12/52/408781252.db2.gz XSORESUKINGOHQ-HNNXBMFYSA-N 1 2 308.334 1.595 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185211608 408781254 /nfs/dbraw/zinc/78/12/54/408781254.db2.gz XSORESUKINGOHQ-HNNXBMFYSA-N 1 2 308.334 1.595 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000277549764 408963016 /nfs/dbraw/zinc/96/30/16/408963016.db2.gz IPKHUUCDBJUHFQ-JTQLQIEISA-N 1 2 304.306 1.618 20 5 DDBDLO CC(C)(CCC(=O)N1CC[NH+](Cc2ccncc2)CC1)[N+](=O)[O-] ZINC000294242716 409265668 /nfs/dbraw/zinc/26/56/68/409265668.db2.gz CJOVXPGGCCGSIJ-UHFFFAOYSA-N 1 2 320.393 1.561 20 5 DDBDLO COC(=O)c1cc(C)nc(N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000290602080 409457038 /nfs/dbraw/zinc/45/70/38/409457038.db2.gz DWIJYNXHZSOPQG-UHFFFAOYSA-N 1 2 317.305 1.302 20 5 DDBDLO COc1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000319178645 164034927 /nfs/dbraw/zinc/03/49/27/164034927.db2.gz HOHJUADZSJOXQA-GFCCVEGCSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1ccc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000319178645 164034930 /nfs/dbraw/zinc/03/49/30/164034930.db2.gz HOHJUADZSJOXQA-GFCCVEGCSA-N 1 2 310.350 1.575 20 5 DDBDLO CC(C)[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000290734085 409501596 /nfs/dbraw/zinc/50/15/96/409501596.db2.gz BFXPLIMUHSEXLO-VIFPVBQESA-N 1 2 304.310 1.621 20 5 DDBDLO O=[N+]([O-])c1ccc(Cc2noc(CCn3cc[nH+]c3)n2)nc1 ZINC000357329556 409978112 /nfs/dbraw/zinc/97/81/12/409978112.db2.gz CZDQJRGXADYFRC-UHFFFAOYSA-N 1 2 300.278 1.403 20 5 DDBDLO CCc1[nH]nc(-c2nc(Cc3c[nH+]cn3C)no2)c1[N+](=O)[O-] ZINC000351304027 410056873 /nfs/dbraw/zinc/05/68/73/410056873.db2.gz USHRTZFGNYXMMR-UHFFFAOYSA-N 1 2 303.282 1.255 20 5 DDBDLO NC(=O)c1ccnc(N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000357520217 410081730 /nfs/dbraw/zinc/08/17/30/410081730.db2.gz DDDNNCFKAWHYIM-UHFFFAOYSA-N 1 2 316.321 1.196 20 5 DDBDLO NC(=O)c1ccnc(N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000357520217 410081735 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ZINC000330658458 410857323 /nfs/dbraw/zinc/85/73/23/410857323.db2.gz PCVFTWSCDKGHSJ-QMTHXVAHSA-N 1 2 323.349 1.245 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000353677486 411106433 /nfs/dbraw/zinc/10/64/33/411106433.db2.gz ZMKMKXRKWKUXDZ-SSDOTTSWSA-N 1 2 321.362 1.704 20 5 DDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000360416146 418429158 /nfs/dbraw/zinc/42/91/58/418429158.db2.gz CZVFAFYGAVCGRD-UHFFFAOYSA-N 1 2 312.289 1.766 20 5 DDBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1F ZINC000366284275 418451694 /nfs/dbraw/zinc/45/16/94/418451694.db2.gz JPLSRJOIMLFRPU-QMMMGPOBSA-N 1 2 304.281 1.744 20 5 DDBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1F ZINC000366284275 418451696 /nfs/dbraw/zinc/45/16/96/418451696.db2.gz JPLSRJOIMLFRPU-QMMMGPOBSA-N 1 2 304.281 1.744 20 5 DDBDLO O=[N+]([O-])c1nn(CCCn2cc[nH+]c2)cc1Br ZINC000049329075 418477373 /nfs/dbraw/zinc/47/73/73/418477373.db2.gz RMIZGSDIWXQTEF-UHFFFAOYSA-N 1 2 300.116 1.841 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000366403794 418470444 /nfs/dbraw/zinc/47/04/44/418470444.db2.gz WLWCLOCKCDVRCP-LBPRGKRZSA-N 1 2 303.322 1.377 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000366403794 418470447 /nfs/dbraw/zinc/47/04/47/418470447.db2.gz WLWCLOCKCDVRCP-LBPRGKRZSA-N 1 2 303.322 1.377 20 5 DDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000361002710 418564366 /nfs/dbraw/zinc/56/43/66/418564366.db2.gz PAULLKNPVSCOTD-NSHDSACASA-N 1 2 307.350 1.300 20 5 DDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000361002710 418564369 /nfs/dbraw/zinc/56/43/69/418564369.db2.gz PAULLKNPVSCOTD-NSHDSACASA-N 1 2 307.350 1.300 20 5 DDBDLO O=C1OCC[C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000372479659 418876185 /nfs/dbraw/zinc/87/61/85/418876185.db2.gz BKAJCPNAKFWYDQ-FZMZJTMJSA-N 1 2 306.318 1.611 20 5 DDBDLO O=C1OCC[C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000372479659 418876187 /nfs/dbraw/zinc/87/61/87/418876187.db2.gz BKAJCPNAKFWYDQ-FZMZJTMJSA-N 1 2 306.318 1.611 20 5 DDBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785923 230028804 /nfs/dbraw/zinc/02/88/04/230028804.db2.gz YOOSZGKISMSRRK-LLVKDONJSA-N 1 2 313.379 1.061 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785923 230028808 /nfs/dbraw/zinc/02/88/08/230028808.db2.gz YOOSZGKISMSRRK-LLVKDONJSA-N 1 2 313.379 1.061 20 5 DDBDLO CC[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1[nH]cc[nH+]1 ZINC000442797758 420717307 /nfs/dbraw/zinc/71/73/07/420717307.db2.gz VUIHGCCMMDXVPA-SECBINFHSA-N 1 2 318.289 1.928 20 5 DDBDLO COCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448854671 420906473 /nfs/dbraw/zinc/90/64/73/420906473.db2.gz VSWSKSVSROYZPY-NSHDSACASA-N 1 2 318.333 1.935 20 5 DDBDLO CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449950916 421115952 /nfs/dbraw/zinc/11/59/52/421115952.db2.gz JUYMPFKKYFVTLH-HNNXBMFYSA-N 1 2 318.333 1.671 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456363989 421150732 /nfs/dbraw/zinc/15/07/32/421150732.db2.gz FQVLFRBKIHVKPK-GXFFZTMASA-N 1 2 316.317 1.992 20 5 DDBDLO C[C@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450168245 421156147 /nfs/dbraw/zinc/15/61/47/421156147.db2.gz KERWODZFCDDUOK-LLVKDONJSA-N 1 2 318.333 1.529 20 5 DDBDLO CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450419164 421195696 /nfs/dbraw/zinc/19/56/96/421195696.db2.gz NLNMYSGTHSSQRT-LLVKDONJSA-N 1 2 304.306 1.281 20 5 DDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000553284517 421609847 /nfs/dbraw/zinc/60/98/47/421609847.db2.gz VVCRPTKSRVGVOO-LBPRGKRZSA-N 1 2 301.306 1.604 20 5 DDBDLO C[C@@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000531340072 421629955 /nfs/dbraw/zinc/62/99/55/421629955.db2.gz UMHOKWIMHSPYHT-GFCCVEGCSA-N 1 2 304.350 1.711 20 5 DDBDLO C[C@@H](O)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000531340072 421629957 /nfs/dbraw/zinc/62/99/57/421629957.db2.gz UMHOKWIMHSPYHT-GFCCVEGCSA-N 1 2 304.350 1.711 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1c[nH+]cn1C ZINC000554514304 421645638 /nfs/dbraw/zinc/64/56/38/421645638.db2.gz IZQDYIVPCKUPKU-UHFFFAOYSA-N 1 2 304.306 1.196 20 5 DDBDLO C[C@@H]1C[N@@H+](CCn2cc(Cl)cc([N+](=O)[O-])c2=O)C[C@H](C)O1 ZINC000570698617 421663171 /nfs/dbraw/zinc/66/31/71/421663171.db2.gz HXTQIJCAUXDRSD-AOOOYVTPSA-N 1 2 315.757 1.519 20 5 DDBDLO C[C@@H]1C[N@H+](CCn2cc(Cl)cc([N+](=O)[O-])c2=O)C[C@H](C)O1 ZINC000570698617 421663173 /nfs/dbraw/zinc/66/31/73/421663173.db2.gz HXTQIJCAUXDRSD-AOOOYVTPSA-N 1 2 315.757 1.519 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000533698559 421682063 /nfs/dbraw/zinc/68/20/63/421682063.db2.gz CZLPFWMSIXGSPD-JTQLQIEISA-N 1 2 301.306 1.353 20 5 DDBDLO COc1ccc(CNc2nc[nH+]c(C)c2OC)cc1[N+](=O)[O-] ZINC000594548357 422349403 /nfs/dbraw/zinc/34/94/03/422349403.db2.gz DVUGXJWCIXQZRR-UHFFFAOYSA-N 1 2 304.306 2.323 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345755812 272326301 /nfs/dbraw/zinc/32/63/01/272326301.db2.gz NCEWRCHPGLUXJX-UHFFFAOYSA-N 1 2 311.301 1.807 20 5 DDBDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000293887613 274332035 /nfs/dbraw/zinc/33/20/35/274332035.db2.gz DFQPTWPRDICYLK-AOOOYVTPSA-N 1 2 317.349 1.636 20 5 DDBDLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000293887613 274332037 /nfs/dbraw/zinc/33/20/37/274332037.db2.gz DFQPTWPRDICYLK-AOOOYVTPSA-N 1 2 317.349 1.636 20 5 DDBDLO CNc1nc(C(=O)Nc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000456024623 277304444 /nfs/dbraw/zinc/30/44/44/277304444.db2.gz BGKRQGCKZGMZBN-UHFFFAOYSA-N 1 2 316.321 1.817 20 5 DDBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000132147139 281441802 /nfs/dbraw/zinc/44/18/02/281441802.db2.gz LNNFNJJWAXZLQQ-UHFFFAOYSA-N 1 2 320.309 1.397 20 5 DDBDLO CN(CC(=O)NCCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000174760871 289477730 /nfs/dbraw/zinc/47/77/30/289477730.db2.gz QNFNHEQBUMDLEH-UHFFFAOYSA-N 1 2 303.322 1.113 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423971371 304529413 /nfs/dbraw/zinc/52/94/13/304529413.db2.gz KGKQZHUDPWPNKO-OLZOCXBDSA-N 1 2 319.361 1.905 20 5 DDBDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000367437203 300847310 /nfs/dbraw/zinc/84/73/10/300847310.db2.gz VEGHQVQKUXSFGM-STQMWFEESA-N 1 2 306.366 1.598 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000408171308 301205513 /nfs/dbraw/zinc/20/55/13/301205513.db2.gz HVYIMSVHHIIJNV-OCCSQVGLSA-N 1 2 320.393 1.764 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370452588 301342086 /nfs/dbraw/zinc/34/20/86/301342086.db2.gz KZFKEAJNUCVCQO-SECBINFHSA-N 1 2 316.317 1.614 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370452588 301342088 /nfs/dbraw/zinc/34/20/88/301342088.db2.gz KZFKEAJNUCVCQO-SECBINFHSA-N 1 2 316.317 1.614 20 5 DDBDLO COc1cccc(C(=O)NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000444736249 302394579 /nfs/dbraw/zinc/39/45/79/302394579.db2.gz QFBSRSMWUMVSRD-UHFFFAOYSA-N 1 2 316.317 1.840 20 5 DDBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCn2c[nH+]cc2C1 ZINC000516134053 302784019 /nfs/dbraw/zinc/78/40/19/302784019.db2.gz AWQLEPDCKYPGEC-UHFFFAOYSA-N 1 2 316.273 1.176 20 5 DDBDLO NC(=O)c1ccnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000290817125 303349315 /nfs/dbraw/zinc/34/93/15/303349315.db2.gz RXWMKJZDFLSVOD-JTQLQIEISA-N 1 2 316.321 1.543 20 5 DDBDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000542623661 303443596 /nfs/dbraw/zinc/44/35/96/303443596.db2.gz ZKLYZIJYZSZFRG-SECBINFHSA-N 1 2 319.321 1.966 20 5 DDBDLO Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)[nH+]1 ZINC000364771404 307050434 /nfs/dbraw/zinc/05/04/34/307050434.db2.gz NMQAZQGBRPUNEI-QWHCGFSZSA-N 1 2 304.350 1.140 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000367654982 307100528 /nfs/dbraw/zinc/10/05/28/307100528.db2.gz XPEAYPWBDNYKNI-QWHCGFSZSA-N 1 2 319.361 1.905 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000369123328 307116467 /nfs/dbraw/zinc/11/64/67/307116467.db2.gz ZXRVMXLNEDJKPN-RTXFEEFZSA-N 1 2 309.753 1.478 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000374348242 307206085 /nfs/dbraw/zinc/20/60/85/307206085.db2.gz FJKXOERDAGSJLY-CYBMUJFWSA-N 1 2 314.345 1.887 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375506850 307227166 /nfs/dbraw/zinc/22/71/66/307227166.db2.gz MADXIUJLHGURHY-IUPBHXKESA-N 1 2 307.325 1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375506850 307227167 /nfs/dbraw/zinc/22/71/67/307227167.db2.gz MADXIUJLHGURHY-IUPBHXKESA-N 1 2 307.325 1.820 20 5 DDBDLO O=C1OCC[C@@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000376333326 307242738 /nfs/dbraw/zinc/24/27/38/307242738.db2.gz NHKBPPSQHGHKHU-BPNCWPANSA-N 1 2 306.318 1.266 20 5 DDBDLO O=C1OCC[C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000376333326 307242739 /nfs/dbraw/zinc/24/27/39/307242739.db2.gz NHKBPPSQHGHKHU-BPNCWPANSA-N 1 2 306.318 1.266 20 5 DDBDLO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000377385575 307268844 /nfs/dbraw/zinc/26/88/44/307268844.db2.gz HSOCRSGNKZTBJI-FRRDWIJNSA-N 1 2 306.366 1.835 20 5 DDBDLO C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)n1cc[nH+]c1 ZINC000565080558 308019225 /nfs/dbraw/zinc/01/92/25/308019225.db2.gz MDFGPTOGNCVGSW-NSHDSACASA-N 1 2 315.333 1.722 20 5 DDBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000570120483 308159718 /nfs/dbraw/zinc/15/97/18/308159718.db2.gz SPSHJSYSRREYTL-JTQLQIEISA-N 1 2 309.370 1.608 20 5 DDBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000570120483 308159720 /nfs/dbraw/zinc/15/97/20/308159720.db2.gz 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CCc1nn(C)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000091740399 353835423 /nfs/dbraw/zinc/83/54/23/353835423.db2.gz HXHDJIIRCYUPIV-LBPRGKRZSA-N 1 2 317.349 1.943 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093343716 353897502 /nfs/dbraw/zinc/89/75/02/353897502.db2.gz ZKLYSNUEEWOOSM-QMTHXVAHSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093343716 353897505 /nfs/dbraw/zinc/89/75/05/353897505.db2.gz ZKLYSNUEEWOOSM-QMTHXVAHSA-N 1 2 307.350 1.544 20 5 DDBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587055967 354879506 /nfs/dbraw/zinc/87/95/06/354879506.db2.gz AUYCIHJSWBQNLN-NSHDSACASA-N 1 2 316.317 1.301 20 5 DDBDLO Cn1cc([C@H](CO)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000494813874 235092368 /nfs/dbraw/zinc/09/23/68/235092368.db2.gz YMNKEIZRBZKUED-LBPRGKRZSA-N 1 2 310.741 1.805 20 5 DDBDLO CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000346569231 283127721 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CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596246457 356830997 /nfs/dbraw/zinc/83/09/97/356830997.db2.gz FURHISLVWDKQSO-CYBMUJFWSA-N 1 2 323.397 1.421 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434045 356879779 /nfs/dbraw/zinc/87/97/79/356879779.db2.gz WXOKKZWZXAAHHG-GHMZBOCLSA-N 1 2 322.365 1.215 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434045 356879780 /nfs/dbraw/zinc/87/97/80/356879780.db2.gz WXOKKZWZXAAHHG-GHMZBOCLSA-N 1 2 322.365 1.215 20 5 DDBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597941370 357391847 /nfs/dbraw/zinc/39/18/47/357391847.db2.gz OROKFQQKHTUDOR-UHFFFAOYSA-N 1 2 315.333 1.848 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000276832478 213121638 /nfs/dbraw/zinc/12/16/38/213121638.db2.gz BGXMCGIKZOQDOV-MRXNPFEDSA-N 1 2 322.361 1.985 20 5 DDBDLO CCOc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000276832478 213121641 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320.393 1.845 20 5 DDBDLO Cc1cnc(N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000275796962 408680507 /nfs/dbraw/zinc/68/05/07/408680507.db2.gz SPASIKHRHZEPMC-CQSZACIVSA-N 1 2 320.393 1.845 20 5 DDBDLO COC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251694356 408784334 /nfs/dbraw/zinc/78/43/34/408784334.db2.gz JPCUKOHPKMIOFS-AAEUAGOBSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251694356 408784337 /nfs/dbraw/zinc/78/43/37/408784337.db2.gz JPCUKOHPKMIOFS-AAEUAGOBSA-N 1 2 310.350 1.839 20 5 DDBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(CO)CC1 ZINC000285665315 408838856 /nfs/dbraw/zinc/83/88/56/408838856.db2.gz ZIRWVUFNRSDULN-UHFFFAOYSA-N 1 2 304.306 1.602 20 5 DDBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(CO)CC1 ZINC000285665315 408838859 /nfs/dbraw/zinc/83/88/59/408838859.db2.gz ZIRWVUFNRSDULN-UHFFFAOYSA-N 1 2 304.306 1.602 20 5 DDBDLO CC(C)c1nnc2n1CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]2C ZINC000189511551 163103875 /nfs/dbraw/zinc/10/38/75/163103875.db2.gz FQPAZHZSIINNSV-NSHDSACASA-N 1 2 319.369 1.583 20 5 DDBDLO CC(C)c1nnc2n1CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]2C ZINC000189511551 163103877 /nfs/dbraw/zinc/10/38/77/163103877.db2.gz FQPAZHZSIINNSV-NSHDSACASA-N 1 2 319.369 1.583 20 5 DDBDLO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000278062798 409060142 /nfs/dbraw/zinc/06/01/42/409060142.db2.gz WMJVRLASTOGWOW-UHFFFAOYSA-N 1 2 319.361 1.498 20 5 DDBDLO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000283552660 409175243 /nfs/dbraw/zinc/17/52/43/409175243.db2.gz MSAIUINZWQKSNE-UHFFFAOYSA-N 1 2 307.350 1.566 20 5 DDBDLO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000318811442 164033420 /nfs/dbraw/zinc/03/34/20/164033420.db2.gz UMLIYVSTUPQFBL-NEPJUHHUSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000318811442 164033422 /nfs/dbraw/zinc/03/34/22/164033422.db2.gz UMLIYVSTUPQFBL-NEPJUHHUSA-N 1 2 305.334 1.657 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000331534353 409609332 /nfs/dbraw/zinc/60/93/32/409609332.db2.gz PTKCWGYJUXFDGJ-NXEZZACHSA-N 1 2 305.334 1.655 20 5 DDBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000331534353 409609340 /nfs/dbraw/zinc/60/93/40/409609340.db2.gz PTKCWGYJUXFDGJ-NXEZZACHSA-N 1 2 305.334 1.655 20 5 DDBDLO COC(=O)c1cc(C)nc(N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000342415170 409613601 /nfs/dbraw/zinc/61/36/01/409613601.db2.gz NVNHRODSEANIMP-UHFFFAOYSA-N 1 2 305.294 1.444 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357121384 409888639 /nfs/dbraw/zinc/88/86/39/409888639.db2.gz UIYUCDYUSZVSLR-LLVKDONJSA-N 1 2 318.337 1.577 20 5 DDBDLO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000332167491 409943373 /nfs/dbraw/zinc/94/33/73/409943373.db2.gz RXDVWMHTVNRSDA-SMDDNHRTSA-N 1 2 322.365 1.106 20 5 DDBDLO CCOC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298262411 410158935 /nfs/dbraw/zinc/15/89/35/410158935.db2.gz VTTVLDDRAZEKMK-UHFFFAOYSA-N 1 2 323.349 1.855 20 5 DDBDLO Cc1c(CC(=O)N2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000332666605 410197133 /nfs/dbraw/zinc/19/71/33/410197133.db2.gz YGJMYIAQEAPUMQ-UHFFFAOYSA-N 1 2 300.318 1.685 20 5 DDBDLO CNC(=O)[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347375045 410504597 /nfs/dbraw/zinc/50/45/97/410504597.db2.gz NERRICNKYMBAMV-JQVXPOPVSA-N 1 2 319.361 1.445 20 5 DDBDLO CNC(=O)[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347375045 410504601 /nfs/dbraw/zinc/50/46/01/410504601.db2.gz NERRICNKYMBAMV-JQVXPOPVSA-N 1 2 319.361 1.445 20 5 DDBDLO CC[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](CC)CN1C(C)=O ZINC000355732356 410665242 /nfs/dbraw/zinc/66/52/42/410665242.db2.gz JUADGAGGPAXFQZ-STQMWFEESA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](CC)CN1C(C)=O ZINC000355732356 410665246 /nfs/dbraw/zinc/66/52/46/410665246.db2.gz JUADGAGGPAXFQZ-STQMWFEESA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCO1 ZINC000347650580 410650956 /nfs/dbraw/zinc/65/09/56/410650956.db2.gz GTJFXHFEOAXLMA-OAHLLOKOSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCO1 ZINC000347650580 410650964 /nfs/dbraw/zinc/65/09/64/410650964.db2.gz GTJFXHFEOAXLMA-OAHLLOKOSA-N 1 2 321.377 1.744 20 5 DDBDLO COC(=O)c1cc(C(=O)NCc2c[nH+]c[nH]2)cc([N+](=O)[O-])c1 ZINC000359701003 410826650 /nfs/dbraw/zinc/82/66/50/410826650.db2.gz RNVFFDXPYIXHMZ-UHFFFAOYSA-N 1 2 304.262 1.035 20 5 DDBDLO COC(=O)c1cc(C(=O)NCc2c[nH]c[nH+]2)cc([N+](=O)[O-])c1 ZINC000359701003 410826655 /nfs/dbraw/zinc/82/66/55/410826655.db2.gz RNVFFDXPYIXHMZ-UHFFFAOYSA-N 1 2 304.262 1.035 20 5 DDBDLO COC(=O)c1cnc(Nc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000302774703 410860773 /nfs/dbraw/zinc/86/07/73/410860773.db2.gz OGYDODAMENRRPZ-UHFFFAOYSA-N 1 2 317.305 1.981 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)CN(CCC[NH+]1CCOCC1)CC2 ZINC000131399829 196164763 /nfs/dbraw/zinc/16/47/63/196164763.db2.gz BOZPAEUFRTXJBN-UHFFFAOYSA-N 1 2 305.378 1.675 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134245252 196373689 /nfs/dbraw/zinc/37/36/89/196373689.db2.gz XZNZQOBCGSDYFA-UHFFFAOYSA-N 1 2 311.313 1.138 20 5 DDBDLO O=C(C[NH+]1CCC2(CCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374362121 418522766 /nfs/dbraw/zinc/52/27/66/418522766.db2.gz YPFVSBFNKGVTPD-UHFFFAOYSA-N 1 2 305.334 1.788 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2cccc[nH+]2)CC1 ZINC000360841812 418530999 /nfs/dbraw/zinc/53/09/99/418530999.db2.gz JUAUDVOEFQYAES-UHFFFAOYSA-N 1 2 316.365 1.841 20 5 DDBDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)O1 ZINC000366911191 418536830 /nfs/dbraw/zinc/53/68/30/418536830.db2.gz LQEGQPNGASUQMI-CQSZACIVSA-N 1 2 309.297 1.808 20 5 DDBDLO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)O1 ZINC000366911191 418536834 /nfs/dbraw/zinc/53/68/34/418536834.db2.gz LQEGQPNGASUQMI-CQSZACIVSA-N 1 2 309.297 1.808 20 5 DDBDLO CCc1[nH]nc(C(=O)Nc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000195445454 222202448 /nfs/dbraw/zinc/20/24/48/222202448.db2.gz MCXBAEAWYBAGFB-UHFFFAOYSA-N 1 2 304.310 1.594 20 5 DDBDLO Cc1cccc(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])[nH+]1 ZINC000291199507 222216193 /nfs/dbraw/zinc/21/61/93/222216193.db2.gz UGABOGREUSTZMD-UHFFFAOYSA-N 1 2 315.333 1.837 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408353961 418799314 /nfs/dbraw/zinc/79/93/14/418799314.db2.gz FLUNKKBXLAYEDW-STQMWFEESA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408353961 418799315 /nfs/dbraw/zinc/79/93/15/418799315.db2.gz FLUNKKBXLAYEDW-STQMWFEESA-N 1 2 305.334 1.058 20 5 DDBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477779 418866389 /nfs/dbraw/zinc/86/63/89/418866389.db2.gz RBDVPGUKSYPYJM-HQHPYACNSA-N 1 2 312.391 1.471 20 5 DDBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000365477779 418866391 /nfs/dbraw/zinc/86/63/91/418866391.db2.gz RBDVPGUKSYPYJM-HQHPYACNSA-N 1 2 312.391 1.471 20 5 DDBDLO COC(=O)c1cnc(N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000365157105 418840109 /nfs/dbraw/zinc/84/01/09/418840109.db2.gz NVIJDOBBFRNXHO-UHFFFAOYSA-N 1 2 317.305 1.302 20 5 DDBDLO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])cn2)CC1 ZINC000372212493 418845535 /nfs/dbraw/zinc/84/55/35/418845535.db2.gz ZREJWWHQHYLMBE-OLZOCXBDSA-N 1 2 320.349 1.158 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373237230 418933265 /nfs/dbraw/zinc/93/32/65/418933265.db2.gz OZIWXFFOCMYAPB-CYBMUJFWSA-N 1 2 320.349 1.155 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373237230 418933266 /nfs/dbraw/zinc/93/32/66/418933266.db2.gz OZIWXFFOCMYAPB-CYBMUJFWSA-N 1 2 320.349 1.155 20 5 DDBDLO CCOc1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000420944435 419373819 /nfs/dbraw/zinc/37/38/19/419373819.db2.gz SDBMHBCAUKCUHC-ZDUSSCGKSA-N 1 2 324.377 1.965 20 5 DDBDLO CCOc1cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000420944435 419373824 /nfs/dbraw/zinc/37/38/24/419373824.db2.gz SDBMHBCAUKCUHC-ZDUSSCGKSA-N 1 2 324.377 1.965 20 5 DDBDLO COC(=O)[C@@H]1CN(C)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912325 419479817 /nfs/dbraw/zinc/47/98/17/419479817.db2.gz VGKZXMDOVOWJLI-QWHCGFSZSA-N 1 2 321.377 1.692 20 5 DDBDLO COC(=O)[C@@H]1CN(C)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912325 419479825 /nfs/dbraw/zinc/47/98/25/419479825.db2.gz VGKZXMDOVOWJLI-QWHCGFSZSA-N 1 2 321.377 1.692 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000418122953 419555149 /nfs/dbraw/zinc/55/51/49/419555149.db2.gz YGKIXUWHGVKXNG-UONOGXRCSA-N 1 2 307.394 1.790 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000418122953 419555153 /nfs/dbraw/zinc/55/51/53/419555153.db2.gz YGKIXUWHGVKXNG-UONOGXRCSA-N 1 2 307.394 1.790 20 5 DDBDLO Cc1cc(NCC(=O)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299387859 229091482 /nfs/dbraw/zinc/09/14/82/229091482.db2.gz AKJUCOLUVOOLIB-UHFFFAOYSA-N 1 2 315.333 1.860 20 5 DDBDLO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430192603 420088025 /nfs/dbraw/zinc/08/80/25/420088025.db2.gz CHQRVVNGIJNHES-FZMZJTMJSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430192603 420088027 /nfs/dbraw/zinc/08/80/27/420088027.db2.gz CHQRVVNGIJNHES-FZMZJTMJSA-N 1 2 310.350 1.839 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434709122 420262418 /nfs/dbraw/zinc/26/24/18/420262418.db2.gz FRKBWCINOMJVRJ-ZDUSSCGKSA-N 1 2 323.393 1.756 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425543141 420413484 /nfs/dbraw/zinc/41/34/84/420413484.db2.gz HTUWYFYGDJKVGF-QMMMGPOBSA-N 1 2 309.276 1.981 20 5 DDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425543141 420413487 /nfs/dbraw/zinc/41/34/87/420413487.db2.gz HTUWYFYGDJKVGF-QMMMGPOBSA-N 1 2 309.276 1.981 20 5 DDBDLO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000457076445 420602522 /nfs/dbraw/zinc/60/25/22/420602522.db2.gz NTBQZYMSYUVTOT-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000457076445 420602526 /nfs/dbraw/zinc/60/25/26/420602526.db2.gz NTBQZYMSYUVTOT-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO CO[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451036349 420585204 /nfs/dbraw/zinc/58/52/04/420585204.db2.gz HVNNARZVKCXREH-SNVBAGLBSA-N 1 2 304.306 1.545 20 5 DDBDLO COC(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493982662 420976998 /nfs/dbraw/zinc/97/69/98/420976998.db2.gz SLZHLFCNJFHWMX-ZDUSSCGKSA-N 1 2 309.322 1.012 20 5 DDBDLO O=C1OCC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000494085230 420988681 /nfs/dbraw/zinc/98/86/81/420988681.db2.gz HRAWFBZSVSRVIT-KGLIPLIRSA-N 1 2 321.333 1.155 20 5 DDBDLO O=C1OCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000494085230 420988683 /nfs/dbraw/zinc/98/86/83/420988683.db2.gz HRAWFBZSVSRVIT-KGLIPLIRSA-N 1 2 321.333 1.155 20 5 DDBDLO COC(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000494101669 420991875 /nfs/dbraw/zinc/99/18/75/420991875.db2.gz AFFZKHUWAWYMOR-XQRVVYSFSA-N 1 2 305.334 1.992 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210638 421122245 /nfs/dbraw/zinc/12/22/45/421122245.db2.gz YXBRABSIYGNCER-BETUJISGSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210638 421122248 /nfs/dbraw/zinc/12/22/48/421122248.db2.gz YXBRABSIYGNCER-BETUJISGSA-N 1 2 319.361 1.496 20 5 DDBDLO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456342805 421146435 /nfs/dbraw/zinc/14/64/35/421146435.db2.gz CLZOXBOFQMNINX-LBPRGKRZSA-N 1 2 307.350 1.857 20 5 DDBDLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456342805 421146439 /nfs/dbraw/zinc/14/64/39/421146439.db2.gz CLZOXBOFQMNINX-LBPRGKRZSA-N 1 2 307.350 1.857 20 5 DDBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c[nH+]1 ZINC000532619386 421661302 /nfs/dbraw/zinc/66/13/02/421661302.db2.gz FUEVFHJYJXAAJA-UHFFFAOYSA-N 1 2 313.360 1.891 20 5 DDBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000583449213 422169118 /nfs/dbraw/zinc/16/91/18/422169118.db2.gz FCRDVDYHUIMYHX-NSHDSACASA-N 1 2 317.349 1.725 20 5 DDBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000583449213 422169125 /nfs/dbraw/zinc/16/91/25/422169125.db2.gz FCRDVDYHUIMYHX-NSHDSACASA-N 1 2 317.349 1.725 20 5 DDBDLO CC(C)Oc1nc(N[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000576240718 422371391 /nfs/dbraw/zinc/37/13/91/422371391.db2.gz HDUQTKRYZATHMK-GFCCVEGCSA-N 1 2 324.381 1.910 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000341715475 271185443 /nfs/dbraw/zinc/18/54/43/271185443.db2.gz TUMLYIXQOIRNMD-GFCCVEGCSA-N 1 2 303.322 1.548 20 5 DDBDLO C[C@H]1C[NH+](CCN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000345385784 272237861 /nfs/dbraw/zinc/23/78/61/272237861.db2.gz BKFCNXCXJJXLPX-QWRGUYRKSA-N 1 2 310.354 1.104 20 5 DDBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340148006 279248817 /nfs/dbraw/zinc/24/88/17/279248817.db2.gz HHKQFHVLSKCFOM-UHFFFAOYSA-N 1 2 317.349 1.917 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000190328494 280379744 /nfs/dbraw/zinc/37/97/44/280379744.db2.gz OKZBUEQOENEETM-LLVKDONJSA-N 1 2 312.395 1.600 20 5 DDBDLO Cc1nc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000268435819 281929506 /nfs/dbraw/zinc/92/95/06/281929506.db2.gz BYJZXSNTIOCQTB-SNVBAGLBSA-N 1 2 321.406 1.912 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000361944319 299968395 /nfs/dbraw/zinc/96/83/95/299968395.db2.gz OVITZAJRJQTXLZ-UHFFFAOYSA-N 1 2 321.381 1.305 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000362341694 300050488 /nfs/dbraw/zinc/05/04/88/300050488.db2.gz ISBIEAOBKLSZME-UHFFFAOYSA-N 1 2 308.725 1.841 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+](C2CC2)C1 ZINC000295309094 300194005 /nfs/dbraw/zinc/19/40/05/300194005.db2.gz KDSJJKINSBGWRJ-LLVKDONJSA-N 1 2 319.361 1.857 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+](C2CC2)C1 ZINC000295309094 300194006 /nfs/dbraw/zinc/19/40/06/300194006.db2.gz KDSJJKINSBGWRJ-LLVKDONJSA-N 1 2 319.361 1.857 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])cnc1C)CC2 ZINC000369922729 301240030 /nfs/dbraw/zinc/24/00/30/301240030.db2.gz GOIFWRWXVLORFN-UHFFFAOYSA-N 1 2 301.306 1.459 20 5 DDBDLO CCOC(=O)[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370569287 301366900 /nfs/dbraw/zinc/36/69/00/301366900.db2.gz NJOHVEZLLDPSEG-CYBMUJFWSA-N 1 2 310.354 1.599 20 5 DDBDLO CCOC(=O)[C@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370569287 301366903 /nfs/dbraw/zinc/36/69/03/301366903.db2.gz NJOHVEZLLDPSEG-CYBMUJFWSA-N 1 2 310.354 1.599 20 5 DDBDLO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376492035 302084059 /nfs/dbraw/zinc/08/40/59/302084059.db2.gz PRRNLKBMJUXYEJ-WCQYABFASA-N 1 2 319.361 1.999 20 5 DDBDLO Cc1ccnc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000377981624 302262254 /nfs/dbraw/zinc/26/22/54/302262254.db2.gz FQGMBNVJAJWZKJ-CHWSQXEVSA-N 1 2 306.366 1.598 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339774779 304804314 /nfs/dbraw/zinc/80/43/14/304804314.db2.gz YPCPTKYYUHMCFX-JKSUJKDBSA-N 1 2 322.361 1.710 20 5 DDBDLO Cc1c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000368680122 307107886 /nfs/dbraw/zinc/10/78/86/307107886.db2.gz JIIPWQOJYXNOER-GFCCVEGCSA-N 1 2 313.379 1.156 20 5 DDBDLO Cc1c(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000368680122 307107887 /nfs/dbraw/zinc/10/78/87/307107887.db2.gz JIIPWQOJYXNOER-GFCCVEGCSA-N 1 2 313.379 1.156 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000371661017 307155619 /nfs/dbraw/zinc/15/56/19/307155619.db2.gz WVIGBKCZWMHSFR-KGLIPLIRSA-N 1 2 324.333 1.236 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000371661017 307155620 /nfs/dbraw/zinc/15/56/20/307155620.db2.gz WVIGBKCZWMHSFR-KGLIPLIRSA-N 1 2 324.333 1.236 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000376540314 307246360 /nfs/dbraw/zinc/24/63/60/307246360.db2.gz KMGUEEDKEXGZPI-AWEZNQCLSA-N 1 2 308.334 1.401 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000376540314 307246361 /nfs/dbraw/zinc/24/63/61/307246361.db2.gz KMGUEEDKEXGZPI-AWEZNQCLSA-N 1 2 308.334 1.401 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000434713851 533856301 /nfs/dbraw/zinc/85/63/01/533856301.db2.gz KWRNZEJWHDANBM-LBPRGKRZSA-N 1 2 311.357 1.886 20 5 DDBDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000434713851 533856312 /nfs/dbraw/zinc/85/63/12/533856312.db2.gz KWRNZEJWHDANBM-LBPRGKRZSA-N 1 2 311.357 1.886 20 5 DDBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000434713851 533856322 /nfs/dbraw/zinc/85/63/22/533856322.db2.gz KWRNZEJWHDANBM-LBPRGKRZSA-N 1 2 311.357 1.886 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(=O)CC1 ZINC000299264626 534686290 /nfs/dbraw/zinc/68/62/90/534686290.db2.gz QZMQGLGTHOKFIR-UHFFFAOYSA-N 1 2 314.301 1.586 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000413039810 534888175 /nfs/dbraw/zinc/88/81/75/534888175.db2.gz VQZYOOUZZRAYMH-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO CC[C@@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000119465182 696681285 /nfs/dbraw/zinc/68/12/85/696681285.db2.gz GEIOYZWXSIGEIY-SNVBAGLBSA-N 1 2 303.318 1.880 20 5 DDBDLO CC[C@@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000119465182 696681288 /nfs/dbraw/zinc/68/12/88/696681288.db2.gz GEIOYZWXSIGEIY-SNVBAGLBSA-N 1 2 303.318 1.880 20 5 DDBDLO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC000981138459 697015780 /nfs/dbraw/zinc/01/57/80/697015780.db2.gz TXQGNSGQYXOBEP-CHWSQXEVSA-N 1 2 324.406 1.151 20 5 DDBDLO Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC000981138459 697015783 /nfs/dbraw/zinc/01/57/83/697015783.db2.gz TXQGNSGQYXOBEP-CHWSQXEVSA-N 1 2 324.406 1.151 20 5 DDBDLO C[C@H]1C[N@H+](CCOC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800077409 700184545 /nfs/dbraw/zinc/18/45/45/700184545.db2.gz OUVBFARDEXOOIP-LBPRGKRZSA-N 1 2 324.333 1.238 20 5 DDBDLO C[C@H]1C[N@@H+](CCOC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800077409 700184548 /nfs/dbraw/zinc/18/45/48/700184548.db2.gz OUVBFARDEXOOIP-LBPRGKRZSA-N 1 2 324.333 1.238 20 5 DDBDLO Cc1nn(CN2CCN(c3cc(C)cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000779866778 698476461 /nfs/dbraw/zinc/47/64/61/698476461.db2.gz LJPDYBHXWLFNMW-UHFFFAOYSA-N 1 2 316.365 1.583 20 5 DDBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000727494709 699413861 /nfs/dbraw/zinc/41/38/61/699413861.db2.gz SVMXWYOFIYXQHQ-LLVKDONJSA-N 1 2 305.338 1.964 20 5 DDBDLO Cc1nn(CN2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000795697009 699884626 /nfs/dbraw/zinc/88/46/26/699884626.db2.gz NVRQEMNKDRIEQI-FZMZJTMJSA-N 1 2 323.397 1.161 20 5 DDBDLO C[C@@H](c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000839659336 701768239 /nfs/dbraw/zinc/76/82/39/701768239.db2.gz YUOCZBUOKVVFQG-NILFDRSVSA-N 1 2 319.361 1.684 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839680551 701781885 /nfs/dbraw/zinc/78/18/85/701781885.db2.gz MEZVTXSWCBHVJF-BPLDGKMQSA-N 1 2 303.362 1.385 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839680551 701781889 /nfs/dbraw/zinc/78/18/89/701781889.db2.gz MEZVTXSWCBHVJF-BPLDGKMQSA-N 1 2 303.362 1.385 20 5 DDBDLO CC[N@H+](CCOC)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839976311 701887481 /nfs/dbraw/zinc/88/74/81/701887481.db2.gz WQJGHGTUEVPBBZ-HNNXBMFYSA-N 1 2 323.349 1.458 20 5 DDBDLO CC[N@@H+](CCOC)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839976311 701887489 /nfs/dbraw/zinc/88/74/89/701887489.db2.gz WQJGHGTUEVPBBZ-HNNXBMFYSA-N 1 2 323.349 1.458 20 5 DDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000857887899 704638153 /nfs/dbraw/zinc/63/81/53/704638153.db2.gz VSZVYMKSSQXHNZ-JTQLQIEISA-N 1 2 322.271 1.624 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3c[nH]nn3)CC2)cc1 ZINC000862423827 705715437 /nfs/dbraw/zinc/71/54/37/705715437.db2.gz CDBOPBFIFVNTNQ-UHFFFAOYSA-N 1 2 302.338 1.472 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cn[nH]n3)CC2)cc1 ZINC000862423827 705715438 /nfs/dbraw/zinc/71/54/38/705715438.db2.gz CDBOPBFIFVNTNQ-UHFFFAOYSA-N 1 2 302.338 1.472 20 5 DDBDLO C/C(=C/C(=O)NC[C@H]1COCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000862970986 705839839 /nfs/dbraw/zinc/83/98/39/705839839.db2.gz NSIYEGLMHDFXDR-LMRWQKIVSA-N 1 2 319.361 1.445 20 5 DDBDLO C/C(=C/C(=O)NC[C@H]1COCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000862970986 705839844 /nfs/dbraw/zinc/83/98/44/705839844.db2.gz NSIYEGLMHDFXDR-LMRWQKIVSA-N 1 2 319.361 1.445 20 5 DDBDLO O=C(Cn1cc[nH+]c1C1CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000863385673 705917160 /nfs/dbraw/zinc/91/71/60/705917160.db2.gz IZLLBPJGWJPXQL-UHFFFAOYSA-N 1 2 314.301 1.625 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000886188765 708712136 /nfs/dbraw/zinc/71/21/36/708712136.db2.gz ZZICMXSPYJTMSX-INIZCTEOSA-N 1 2 315.329 1.750 20 5 DDBDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000886472013 708766167 /nfs/dbraw/zinc/76/61/67/708766167.db2.gz BNYJPUACPKKAIV-LLVKDONJSA-N 1 2 313.379 1.310 20 5 DDBDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000886472013 708766168 /nfs/dbraw/zinc/76/61/68/708766168.db2.gz BNYJPUACPKKAIV-LLVKDONJSA-N 1 2 313.379 1.310 20 5 DDBDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000886472014 708766178 /nfs/dbraw/zinc/76/61/78/708766178.db2.gz BNYJPUACPKKAIV-NSHDSACASA-N 1 2 313.379 1.310 20 5 DDBDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000886472014 708766179 /nfs/dbraw/zinc/76/61/79/708766179.db2.gz BNYJPUACPKKAIV-NSHDSACASA-N 1 2 313.379 1.310 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000891678661 710264375 /nfs/dbraw/zinc/26/43/75/710264375.db2.gz LWNIDAOQYCABMX-ZDUSSCGKSA-N 1 2 324.381 1.767 20 5 DDBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2O)C[NH+]2CCC1CC2 ZINC000912377471 711300893 /nfs/dbraw/zinc/30/08/93/711300893.db2.gz NXMARWLZDIWHCU-HNNXBMFYSA-N 1 2 305.334 1.515 20 5 DDBDLO C[NH+]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000895426336 711509998 /nfs/dbraw/zinc/50/99/98/711509998.db2.gz AKVNVHSERRAKCI-UHFFFAOYSA-N 1 2 314.345 1.718 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](C)CC2)c1 ZINC000932334510 714311137 /nfs/dbraw/zinc/31/11/37/714311137.db2.gz GGWOYVNMAIGHHF-LLVKDONJSA-N 1 2 308.334 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](C)CC2)c1 ZINC000932334510 714311139 /nfs/dbraw/zinc/31/11/39/714311139.db2.gz GGWOYVNMAIGHHF-LLVKDONJSA-N 1 2 308.334 1.992 20 5 DDBDLO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000932341312 714312937 /nfs/dbraw/zinc/31/29/37/714312937.db2.gz IHYCIFNXRAFYLW-GFCCVEGCSA-N 1 2 319.361 1.595 20 5 DDBDLO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000932341312 714312940 /nfs/dbraw/zinc/31/29/40/714312940.db2.gz IHYCIFNXRAFYLW-GFCCVEGCSA-N 1 2 319.361 1.595 20 5 DDBDLO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000934271496 714782366 /nfs/dbraw/zinc/78/23/66/714782366.db2.gz HFENQDOAEIMLST-CVEARBPZSA-N 1 2 319.405 1.934 20 5 DDBDLO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000934271496 714782367 /nfs/dbraw/zinc/78/23/67/714782367.db2.gz HFENQDOAEIMLST-CVEARBPZSA-N 1 2 319.405 1.934 20 5 DDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2=CCCCC2)C1 ZINC000950051965 720468852 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Cc1[nH+]c[nH]c1CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093776423 775099865 /nfs/dbraw/zinc/09/98/65/775099865.db2.gz DYQILGGMTWKVKN-UHFFFAOYSA-N 1 2 318.337 1.101 20 5 DDBDLO Cc1cc(NCCCNC(=O)Cc2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC001094549702 776059424 /nfs/dbraw/zinc/05/94/24/776059424.db2.gz QJHFLCAWYVUJAM-UHFFFAOYSA-N 1 2 318.337 1.182 20 5 DDBDLO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ncn1 ZINC001175324741 777752055 /nfs/dbraw/zinc/75/20/55/777752055.db2.gz VSKCPZPPXHFCDS-OAHLLOKOSA-N 1 2 302.334 1.691 20 5 DDBDLO C[NH+](C)CCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001118702715 781215732 /nfs/dbraw/zinc/21/57/32/781215732.db2.gz HPRDQILNYNWHJH-UHFFFAOYSA-N 1 2 313.329 1.621 20 5 DDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H](CF)C1 ZINC001119389517 781432320 /nfs/dbraw/zinc/43/23/20/781432320.db2.gz MMHMMPUPXLFQPL-ABAIWWIYSA-N 1 2 323.324 1.781 20 5 DDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H](CF)C1 ZINC001119389517 781432326 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DDBDLO CN1CC[NH+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001333861921 867088407 /nfs/dbraw/zinc/08/84/07/867088407.db2.gz OWLBJHVQXSIZNB-UHFFFAOYSA-N 1 2 315.377 1.802 20 5 DDBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4C=CC[NH2+]C4)c3nc2cc1C ZINC001218332569 877454138 /nfs/dbraw/zinc/45/41/38/877454138.db2.gz DFGMDRCWLBYYSY-LLVKDONJSA-N 1 2 323.356 1.802 20 5 DDBDLO CCOC(=O)c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001230916606 885045695 /nfs/dbraw/zinc/04/56/95/885045695.db2.gz COMNXXWZZOJGFA-GFCCVEGCSA-N 1 2 324.333 1.481 20 5 DDBDLO CCOC(=O)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001230916606 885045704 /nfs/dbraw/zinc/04/57/04/885045704.db2.gz COMNXXWZZOJGFA-GFCCVEGCSA-N 1 2 324.333 1.481 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)c1ccco1 ZINC001231268516 885454664 /nfs/dbraw/zinc/45/46/64/885454664.db2.gz DDIHGQKUBVAJTP-UHFFFAOYSA-N 1 2 321.337 1.173 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCNC(=O)c1ccco1 ZINC001231268516 885454670 /nfs/dbraw/zinc/45/46/70/885454670.db2.gz DDIHGQKUBVAJTP-UHFFFAOYSA-N 1 2 321.337 1.173 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563647 896502635 /nfs/dbraw/zinc/50/26/35/896502635.db2.gz AFFMIRPWGLKIBI-OCCSQVGLSA-N 1 2 322.361 1.790 20 5 DDBDLO COC(=O)C[C@H]1COCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563647 896502646 /nfs/dbraw/zinc/50/26/46/896502646.db2.gz AFFMIRPWGLKIBI-OCCSQVGLSA-N 1 2 322.361 1.790 20 5 DDBDLO O=C(NCCCCO)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451244224 231044057 /nfs/dbraw/zinc/04/40/57/231044057.db2.gz QLHHKBLPPVTSRK-UHFFFAOYSA-N 1 2 304.306 1.283 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CCOCC1 ZINC000278767074 214385331 /nfs/dbraw/zinc/38/53/31/214385331.db2.gz UIOAVOFEJUMRMC-UHFFFAOYSA-N 1 2 323.349 1.434 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452065024 231287035 /nfs/dbraw/zinc/28/70/35/231287035.db2.gz HCCBYFFRHPAOKF-ZYHUDNBSSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452065024 231287039 /nfs/dbraw/zinc/28/70/39/231287039.db2.gz HCCBYFFRHPAOKF-ZYHUDNBSSA-N 1 2 307.350 1.544 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000331060620 232451260 /nfs/dbraw/zinc/45/12/60/232451260.db2.gz NRDKLGBLMHJWKA-JTQLQIEISA-N 1 2 308.260 1.218 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000331060620 232451270 /nfs/dbraw/zinc/45/12/70/232451270.db2.gz NRDKLGBLMHJWKA-JTQLQIEISA-N 1 2 308.260 1.218 20 5 DDBDLO COC(=O)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342508345 282561398 /nfs/dbraw/zinc/56/13/98/282561398.db2.gz IJAXXQGTEBCQMH-VIFPVBQESA-N 1 2 318.289 1.072 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000140681504 186028039 /nfs/dbraw/zinc/02/80/39/186028039.db2.gz TXHZMHQWCXJIKF-SNVBAGLBSA-N 1 2 307.350 1.693 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000140681504 186028040 /nfs/dbraw/zinc/02/80/40/186028040.db2.gz TXHZMHQWCXJIKF-SNVBAGLBSA-N 1 2 307.350 1.693 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000617405077 363090692 /nfs/dbraw/zinc/09/06/92/363090692.db2.gz ZVCRXHKXAXIERQ-NSHDSACASA-N 1 2 318.337 1.485 20 5 DDBDLO CCc1n[nH]c(C(=O)NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000172358082 198085322 /nfs/dbraw/zinc/08/53/22/198085322.db2.gz ZKVNPROZQYCSNV-UHFFFAOYSA-N 1 2 318.337 1.507 20 5 DDBDLO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000029958627 352248402 /nfs/dbraw/zinc/24/84/02/352248402.db2.gz WRDSOBQWDJUERN-LLVKDONJSA-N 1 2 307.350 1.354 20 5 DDBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(O)CC3)n2)cc1 ZINC000047406632 352493266 /nfs/dbraw/zinc/49/32/66/352493266.db2.gz QYOKAHIHGACXPW-UHFFFAOYSA-N 1 2 304.306 1.602 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000050823438 352572252 /nfs/dbraw/zinc/57/22/52/352572252.db2.gz YHTUJBDHIZMUCY-UHFFFAOYSA-N 1 2 314.345 1.881 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)CC1 ZINC000052807723 352626805 /nfs/dbraw/zinc/62/68/05/352626805.db2.gz DQEVJVIYCJYVCE-NSHDSACASA-N 1 2 307.350 1.626 20 5 DDBDLO CCOc1cc(C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000052929037 352632343 /nfs/dbraw/zinc/63/23/43/352632343.db2.gz SKYZIQKYXPKXSS-UHFFFAOYSA-N 1 2 323.349 1.390 20 5 DDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000052929072 352632522 /nfs/dbraw/zinc/63/25/22/352632522.db2.gz YTLZLMHZCZUQNK-UHFFFAOYSA-N 1 2 323.349 1.390 20 5 DDBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)c2ncccc12 ZINC000058611037 352848675 /nfs/dbraw/zinc/84/86/75/352848675.db2.gz UXFQUVXHGBXNOK-UHFFFAOYSA-N 1 2 302.334 1.887 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665029 353207758 /nfs/dbraw/zinc/20/77/58/353207758.db2.gz QJFQNTVWLYISTE-SNVBAGLBSA-N 1 2 304.310 1.368 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665029 353207762 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C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539648 406949270 /nfs/dbraw/zinc/94/92/70/406949270.db2.gz GNIYCPNJIHCMFY-LLVKDONJSA-N 1 2 317.349 1.787 20 5 DDBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000078510996 407030615 /nfs/dbraw/zinc/03/06/15/407030615.db2.gz SILKMQGLQNSLQX-CHWSQXEVSA-N 1 2 321.377 1.363 20 5 DDBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000078620269 407036607 /nfs/dbraw/zinc/03/66/07/407036607.db2.gz WMLRABROSSZOSU-UHFFFAOYSA-N 1 2 318.308 1.386 20 5 DDBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000078620269 407036608 /nfs/dbraw/zinc/03/66/08/407036608.db2.gz WMLRABROSSZOSU-UHFFFAOYSA-N 1 2 318.308 1.386 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000045951538 407052173 /nfs/dbraw/zinc/05/21/73/407052173.db2.gz PREFOLIKQATITC-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111273984 407405067 /nfs/dbraw/zinc/40/50/67/407405067.db2.gz UJLPMOWJSXQEFW-GWCFXTLKSA-N 1 2 307.350 1.693 20 5 DDBDLO CC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111273984 407405069 /nfs/dbraw/zinc/40/50/69/407405069.db2.gz UJLPMOWJSXQEFW-GWCFXTLKSA-N 1 2 307.350 1.693 20 5 DDBDLO Cn1nncc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000270995915 407458481 /nfs/dbraw/zinc/45/84/81/407458481.db2.gz JRJXNUWXWDSGFK-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272559826 407983098 /nfs/dbraw/zinc/98/30/98/407983098.db2.gz QLOBGNWNUIKMHO-UHFFFAOYSA-N 1 2 323.349 1.095 20 5 DDBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000189462734 408025650 /nfs/dbraw/zinc/02/56/50/408025650.db2.gz TVULZXNGOXWJLV-SNVBAGLBSA-N 1 2 320.267 1.971 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000269464579 408317827 /nfs/dbraw/zinc/31/78/27/408317827.db2.gz SYTKLRXKGXXMOX-UHFFFAOYSA-N 1 2 306.326 1.447 20 5 DDBDLO Cc1nn(C)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000269883456 408458416 /nfs/dbraw/zinc/45/84/16/408458416.db2.gz SXJXPNMFHCHTQP-LLVKDONJSA-N 1 2 302.338 1.723 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000275543584 408595032 /nfs/dbraw/zinc/59/50/32/408595032.db2.gz QSMHCDNDPOAZEW-ZDUSSCGKSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000275543584 408595036 /nfs/dbraw/zinc/59/50/36/408595036.db2.gz QSMHCDNDPOAZEW-ZDUSSCGKSA-N 1 2 321.381 1.271 20 5 DDBDLO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1O ZINC000274797097 408535706 /nfs/dbraw/zinc/53/57/06/408535706.db2.gz ZSUSEYMNEPEXGK-CHWSQXEVSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1O ZINC000274797097 408535708 /nfs/dbraw/zinc/53/57/08/408535708.db2.gz ZSUSEYMNEPEXGK-CHWSQXEVSA-N 1 2 305.334 1.657 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000162493167 408707861 /nfs/dbraw/zinc/70/78/61/408707861.db2.gz UAZDPXGCTNZIRL-KBPBESRZSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000162493167 408707869 /nfs/dbraw/zinc/70/78/69/408707869.db2.gz UAZDPXGCTNZIRL-KBPBESRZSA-N 1 2 320.349 1.450 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccn2cc[nH+]c2c1 ZINC000178073660 408769804 /nfs/dbraw/zinc/76/98/04/408769804.db2.gz QAJAZALSQJAPTH-UHFFFAOYSA-N 1 2 314.305 1.146 20 5 DDBDLO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1[N+](=O)[O-] ZINC000280932307 408861111 /nfs/dbraw/zinc/86/11/11/408861111.db2.gz KPMBMRRCOVYFRE-VXGBXAGGSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(O)c1[N+](=O)[O-] ZINC000280932307 408861112 /nfs/dbraw/zinc/86/11/12/408861112.db2.gz KPMBMRRCOVYFRE-VXGBXAGGSA-N 1 2 305.334 1.657 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)[S@@]1=O ZINC000285998060 408905406 /nfs/dbraw/zinc/90/54/06/408905406.db2.gz OSUVYPIFAYCCOQ-MPDMTVCLSA-N 1 2 300.384 1.023 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)[S@@]1=O ZINC000285998060 408905408 /nfs/dbraw/zinc/90/54/08/408905408.db2.gz OSUVYPIFAYCCOQ-MPDMTVCLSA-N 1 2 300.384 1.023 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286330572 408964812 /nfs/dbraw/zinc/96/48/12/408964812.db2.gz LMEBDKWJMUEKOP-JSGCOSHPSA-N 1 2 306.366 1.598 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000279049479 409138374 /nfs/dbraw/zinc/13/83/74/409138374.db2.gz CFRLIGHXRNZDRR-CYBMUJFWSA-N 1 2 321.377 1.316 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000279363010 409199414 /nfs/dbraw/zinc/19/94/14/409199414.db2.gz RZCMJZJDKPDXAP-ZDUSSCGKSA-N 1 2 321.377 1.316 20 5 DDBDLO CCc1c[nH+]ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000357592186 410124019 /nfs/dbraw/zinc/12/40/19/410124019.db2.gz IFCDGNJAUWHALA-UHFFFAOYSA-N 1 2 301.302 1.992 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000298574215 410297234 /nfs/dbraw/zinc/29/72/34/410297234.db2.gz REQZWAOEWOOSNJ-LBPRGKRZSA-N 1 2 312.391 1.851 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000298574215 410297237 /nfs/dbraw/zinc/29/72/37/410297237.db2.gz REQZWAOEWOOSNJ-LBPRGKRZSA-N 1 2 312.391 1.851 20 5 DDBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000343402682 410422963 /nfs/dbraw/zinc/42/29/63/410422963.db2.gz XOAIIJBCKKVEDQ-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352354625 410641815 /nfs/dbraw/zinc/64/18/15/410641815.db2.gz BXCHCVCYVCTLBN-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352354625 410641818 /nfs/dbraw/zinc/64/18/18/410641818.db2.gz BXCHCVCYVCTLBN-LBPRGKRZSA-N 1 2 316.361 2.276 20 5 DDBDLO CCN(C[C@@H](C)O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341315163 411000647 /nfs/dbraw/zinc/00/06/47/411000647.db2.gz SZIMFDVAMMMAML-LLVKDONJSA-N 1 2 318.333 1.623 20 5 DDBDLO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000331375914 411072634 /nfs/dbraw/zinc/07/26/34/411072634.db2.gz GTVCSJZBFLPHSJ-SNVBAGLBSA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000331375914 411072638 /nfs/dbraw/zinc/07/26/38/411072638.db2.gz GTVCSJZBFLPHSJ-SNVBAGLBSA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(NCC1(O)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353632374 411090055 /nfs/dbraw/zinc/09/00/55/411090055.db2.gz SLAJJUUVNMXJNR-UHFFFAOYSA-N 1 2 316.317 1.425 20 5 DDBDLO CC[C@@H](CO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353671462 411105232 /nfs/dbraw/zinc/10/52/32/411105232.db2.gz KNEXQMXLNNSHQZ-GXTWGEPZSA-N 1 2 304.350 1.778 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000374678264 418554089 /nfs/dbraw/zinc/55/40/89/418554089.db2.gz LDTNGZCYTMHMBX-UHFFFAOYSA-N 1 2 304.281 1.895 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365671376 418892351 /nfs/dbraw/zinc/89/23/51/418892351.db2.gz DMSPITNYQDVEEB-CYBMUJFWSA-N 1 2 319.361 1.450 20 5 DDBDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420981231 419402684 /nfs/dbraw/zinc/40/26/84/419402684.db2.gz FZQDYYZXNWDFEI-GWCFXTLKSA-N 1 2 320.349 1.132 20 5 DDBDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420981231 419402688 /nfs/dbraw/zinc/40/26/88/419402688.db2.gz FZQDYYZXNWDFEI-GWCFXTLKSA-N 1 2 320.349 1.132 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429135950 419973022 /nfs/dbraw/zinc/97/30/22/419973022.db2.gz OUAHEUAUAWUIJB-JQWIXIFHSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429135950 419973028 /nfs/dbraw/zinc/97/30/28/419973028.db2.gz OUAHEUAUAWUIJB-JQWIXIFHSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000430216435 420092359 /nfs/dbraw/zinc/09/23/59/420092359.db2.gz HJHWRVGLTIPGLO-UHFFFAOYSA-N 1 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ZINC000457083601 420603935 /nfs/dbraw/zinc/60/39/35/420603935.db2.gz FPCUKMLJJHKMTB-LBPRGKRZSA-N 1 2 307.350 1.855 20 5 DDBDLO COc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000492816228 420675098 /nfs/dbraw/zinc/67/50/98/420675098.db2.gz ZORKLFBMNQXBEY-HYXAFXHYSA-N 1 2 302.290 1.656 20 5 DDBDLO Cc1sc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457130025 420626747 /nfs/dbraw/zinc/62/67/47/420626747.db2.gz QYAAMLFZNCLHHK-SECBINFHSA-N 1 2 313.379 1.103 20 5 DDBDLO Cc1sc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457130025 420626750 /nfs/dbraw/zinc/62/67/50/420626750.db2.gz QYAAMLFZNCLHHK-SECBINFHSA-N 1 2 313.379 1.103 20 5 DDBDLO Cc1c(CNC(=O)NCCc2cn(C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000458694378 420715274 /nfs/dbraw/zinc/71/52/74/420715274.db2.gz OUGCEJRRBYZHRH-UHFFFAOYSA-N 1 2 317.349 1.679 20 5 DDBDLO Nc1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000453581933 420733901 /nfs/dbraw/zinc/73/39/01/420733901.db2.gz VXCVFUQAGVNUIM-UHFFFAOYSA-N 1 2 320.378 1.351 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447661267 420791282 /nfs/dbraw/zinc/79/12/82/420791282.db2.gz PVPSOALLXTXSOO-GFCCVEGCSA-N 1 2 307.350 1.388 20 5 DDBDLO O=C1OCC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN12 ZINC000494132432 420996624 /nfs/dbraw/zinc/99/66/24/420996624.db2.gz IYNXXAZTACMXRC-GFCCVEGCSA-N 1 2 321.333 1.500 20 5 DDBDLO O=C1OCC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN12 ZINC000494132432 420996628 /nfs/dbraw/zinc/99/66/28/420996628.db2.gz IYNXXAZTACMXRC-GFCCVEGCSA-N 1 2 321.333 1.500 20 5 DDBDLO CN1C[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)OC1=O ZINC000495794557 421065981 /nfs/dbraw/zinc/06/59/81/421065981.db2.gz UCJRLCVAQIBTEY-LBPRGKRZSA-N 1 2 307.306 1.240 20 5 DDBDLO CN1C[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)OC1=O ZINC000495794557 421065985 /nfs/dbraw/zinc/06/59/85/421065985.db2.gz UCJRLCVAQIBTEY-LBPRGKRZSA-N 1 2 307.306 1.240 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449744534 421072092 /nfs/dbraw/zinc/07/20/92/421072092.db2.gz HVPKXGITRLODRJ-LBPRGKRZSA-N 1 2 322.365 1.536 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449744534 421072097 /nfs/dbraw/zinc/07/20/97/421072097.db2.gz HVPKXGITRLODRJ-LBPRGKRZSA-N 1 2 322.365 1.536 20 5 DDBDLO COc1c(C(=O)N2CC(n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000530284020 421591114 /nfs/dbraw/zinc/59/11/14/421591114.db2.gz MXIDYRKYSVDKNO-UHFFFAOYSA-N 1 2 302.290 1.497 20 5 DDBDLO CCc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000530595193 421609178 /nfs/dbraw/zinc/60/91/78/421609178.db2.gz RGUMCUTUJUKNEW-GFCCVEGCSA-N 1 2 321.377 1.608 20 5 DDBDLO CCc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000530595193 421609181 /nfs/dbraw/zinc/60/91/81/421609181.db2.gz RGUMCUTUJUKNEW-GFCCVEGCSA-N 1 2 321.377 1.608 20 5 DDBDLO Nc1c(C(=O)N2CC(n3cc[nH+]c3)C2)cc(F)cc1[N+](=O)[O-] ZINC000522251290 421820491 /nfs/dbraw/zinc/82/04/91/421820491.db2.gz UXTGUDXNNDNJIA-UHFFFAOYSA-N 1 2 305.269 1.210 20 5 DDBDLO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000573978738 422043298 /nfs/dbraw/zinc/04/32/98/422043298.db2.gz CEPRNOHFLLFDJB-GHMZBOCLSA-N 1 2 307.350 1.855 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000599161180 422402564 /nfs/dbraw/zinc/40/25/64/422402564.db2.gz VCHFNULXMOGOSL-CYBMUJFWSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000599161180 422402568 /nfs/dbraw/zinc/40/25/68/422402568.db2.gz VCHFNULXMOGOSL-CYBMUJFWSA-N 1 2 302.334 1.886 20 5 DDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000341702843 271178481 /nfs/dbraw/zinc/17/84/81/271178481.db2.gz BSIAVYPBTPACRX-ZDUSSCGKSA-N 1 2 318.337 1.182 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)cn1 ZINC000342220091 271345068 /nfs/dbraw/zinc/34/50/68/271345068.db2.gz IQXAHZZPGZHMKA-UHFFFAOYSA-N 1 2 319.340 1.790 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274965707 277369404 /nfs/dbraw/zinc/36/94/04/277369404.db2.gz JMNXKIKAQUZIKH-UGFHNGPFSA-N 1 2 322.361 1.902 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274965707 277369406 /nfs/dbraw/zinc/36/94/06/277369406.db2.gz JMNXKIKAQUZIKH-UGFHNGPFSA-N 1 2 322.361 1.902 20 5 DDBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092735357 278036516 /nfs/dbraw/zinc/03/65/16/278036516.db2.gz ZUIMHVCPNAZECZ-AWEZNQCLSA-N 1 2 307.350 1.404 20 5 DDBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092735357 278036517 /nfs/dbraw/zinc/03/65/17/278036517.db2.gz ZUIMHVCPNAZECZ-AWEZNQCLSA-N 1 2 307.350 1.404 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289337874 304529908 /nfs/dbraw/zinc/52/99/08/304529908.db2.gz WNTIWXLKXHLRSL-HNNXBMFYSA-N 1 2 305.334 1.516 20 5 DDBDLO Cc1[nH]c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000357937133 299026088 /nfs/dbraw/zinc/02/60/88/299026088.db2.gz CJUJHYAWXKPJAG-UHFFFAOYSA-N 1 2 300.278 1.765 20 5 DDBDLO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000288617254 300497842 /nfs/dbraw/zinc/49/78/42/300497842.db2.gz ZWDQCECRCPYUHW-AAEUAGOBSA-N 1 2 319.361 1.999 20 5 DDBDLO NC(=O)C1([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000370238476 301299915 /nfs/dbraw/zinc/29/99/15/301299915.db2.gz KWGKBPIRUWEAAZ-UHFFFAOYSA-N 1 2 318.377 1.515 20 5 DDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370412545 301333876 /nfs/dbraw/zinc/33/38/76/301333876.db2.gz AEGQMXMALYQGGU-GFCCVEGCSA-N 1 2 305.334 1.142 20 5 DDBDLO CC(C)n1ncnc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365310544 307064323 /nfs/dbraw/zinc/06/43/23/307064323.db2.gz VOZFQNFXQNKQDQ-LBPRGKRZSA-N 1 2 319.369 1.801 20 5 DDBDLO CC(C)n1ncnc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365310544 307064324 /nfs/dbraw/zinc/06/43/24/307064324.db2.gz VOZFQNFXQNKQDQ-LBPRGKRZSA-N 1 2 319.369 1.801 20 5 DDBDLO Nc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000369803622 307128039 /nfs/dbraw/zinc/12/80/39/307128039.db2.gz BPEPBSGOSOUSFN-UHFFFAOYSA-N 1 2 315.333 1.920 20 5 DDBDLO Nc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000369803622 307128040 /nfs/dbraw/zinc/12/80/40/307128040.db2.gz BPEPBSGOSOUSFN-UHFFFAOYSA-N 1 2 315.333 1.920 20 5 DDBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000375348788 307223681 /nfs/dbraw/zinc/22/36/81/307223681.db2.gz TWBNFYZAXPWMAH-IUODEOHRSA-N 1 2 315.333 1.760 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000497038906 307377347 /nfs/dbraw/zinc/37/73/47/307377347.db2.gz UNBCZXORRPFDQA-ZDUSSCGKSA-N 1 2 321.333 1.630 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000497038906 307377348 /nfs/dbraw/zinc/37/73/48/307377348.db2.gz UNBCZXORRPFDQA-ZDUSSCGKSA-N 1 2 321.333 1.630 20 5 DDBDLO O=C(NCCCCn1cc[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541873403 307695080 /nfs/dbraw/zinc/69/50/80/307695080.db2.gz CJCZSVDZUQOCGN-UHFFFAOYSA-N 1 2 304.306 1.707 20 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20 5 DDBDLO CC(=O)N1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000776585829 698122155 /nfs/dbraw/zinc/12/21/55/698122155.db2.gz AGNDYUOSIQBNIU-NHYWBVRUSA-N 1 2 307.350 1.181 20 5 DDBDLO Cc1nn(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000779860195 698476309 /nfs/dbraw/zinc/47/63/09/698476309.db2.gz RYXLTSJIRPYGAX-UHFFFAOYSA-N 1 2 323.397 1.636 20 5 DDBDLO Cc1c(CC(=O)O[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000782295239 698705147 /nfs/dbraw/zinc/70/51/47/698705147.db2.gz DXQBTSOUFDNAMU-LBPRGKRZSA-N 1 2 322.361 1.710 20 5 DDBDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752589 699337489 /nfs/dbraw/zinc/33/74/89/699337489.db2.gz FYHTUCULFSFTIL-SECBINFHSA-N 1 2 317.353 1.424 20 5 DDBDLO O=[N+]([O-])c1cc(-c2nc(-c3nc[nH]n3)no2)ccc1-n1cc[nH+]c1 ZINC000731792799 699537295 /nfs/dbraw/zinc/53/72/95/699537295.db2.gz CTDBFWFHIGXHKO-UHFFFAOYSA-N 1 2 324.260 1.616 20 5 DDBDLO COC[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794630288 699819933 /nfs/dbraw/zinc/81/99/33/699819933.db2.gz FANVDZHOTFYDKI-SNVBAGLBSA-N 1 2 307.306 1.571 20 5 DDBDLO COC[C@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794630288 699819936 /nfs/dbraw/zinc/81/99/36/699819936.db2.gz FANVDZHOTFYDKI-SNVBAGLBSA-N 1 2 307.306 1.571 20 5 DDBDLO COC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742145946 699861711 /nfs/dbraw/zinc/86/17/11/699861711.db2.gz VZUIQHMSVNEEQJ-UHFFFAOYSA-N 1 2 317.349 1.922 20 5 DDBDLO CO[C@H]1C[C@@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000795673766 699882810 /nfs/dbraw/zinc/88/28/10/699882810.db2.gz GYZRWJDUDDQPFL-PHIMTYICSA-N 1 2 307.306 1.569 20 5 DDBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000795673766 699882815 /nfs/dbraw/zinc/88/28/15/699882815.db2.gz GYZRWJDUDDQPFL-PHIMTYICSA-N 1 2 307.306 1.569 20 5 DDBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000752323684 700356203 /nfs/dbraw/zinc/35/62/03/700356203.db2.gz WJUHROCSBQLWDF-SNVBAGLBSA-N 1 2 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302.334 1.791 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000541551448 303423212 /nfs/dbraw/zinc/42/32/12/303423212.db2.gz AFPPXLCDZGROED-UHFFFAOYSA-N 1 2 303.322 1.099 20 5 DDBDLO O=c1[nH]c(N2CCn3c[nH+]cc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000370676020 307132115 /nfs/dbraw/zinc/13/21/15/307132115.db2.gz ICNKIYVCSCHRTO-UHFFFAOYSA-N 1 2 312.289 1.460 20 5 DDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000373385383 307186754 /nfs/dbraw/zinc/18/67/54/307186754.db2.gz UDIDFLBBIXWVRO-LBPRGKRZSA-N 1 2 322.346 1.844 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000375242692 307219636 /nfs/dbraw/zinc/21/96/36/307219636.db2.gz PRZCYFULYQMMLP-ZDUSSCGKSA-N 1 2 311.769 1.765 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000375242692 307219637 /nfs/dbraw/zinc/21/96/37/307219637.db2.gz PRZCYFULYQMMLP-ZDUSSCGKSA-N 1 2 311.769 1.765 20 5 DDBDLO O=C1OCC[C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000376539816 307246396 /nfs/dbraw/zinc/24/63/96/307246396.db2.gz IWCJIVANUUKHMD-RISCZKNCSA-N 1 2 306.318 1.611 20 5 DDBDLO O=C1OCC[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000376539816 307246397 /nfs/dbraw/zinc/24/63/97/307246397.db2.gz IWCJIVANUUKHMD-RISCZKNCSA-N 1 2 306.318 1.611 20 5 DDBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000570000419 308156196 /nfs/dbraw/zinc/15/61/96/308156196.db2.gz NSOLFDQBVDOSHG-JTQLQIEISA-N 1 2 317.349 1.637 20 5 DDBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000570000419 308156197 /nfs/dbraw/zinc/15/61/97/308156197.db2.gz NSOLFDQBVDOSHG-JTQLQIEISA-N 1 2 317.349 1.637 20 5 DDBDLO O=C(NCc1cc[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193403262 490692965 /nfs/dbraw/zinc/69/29/65/490692965.db2.gz XJTCVGSMNINLHH-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)c1 ZINC000302094838 534244613 /nfs/dbraw/zinc/24/46/13/534244613.db2.gz NPXIRQYVKOVOMT-UHFFFAOYSA-N 1 2 304.306 1.751 20 5 DDBDLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000101905430 696609137 /nfs/dbraw/zinc/60/91/37/696609137.db2.gz FLMLBFIQGGKRCW-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000101905430 696609138 /nfs/dbraw/zinc/60/91/38/696609138.db2.gz FLMLBFIQGGKRCW-LBPRGKRZSA-N 1 2 309.370 1.377 20 5 DDBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782659300 698757682 /nfs/dbraw/zinc/75/76/82/698757682.db2.gz KWSXEKJPAIPFRN-HOCLYGCPSA-N 1 2 321.377 1.619 20 5 DDBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782659300 698757683 /nfs/dbraw/zinc/75/76/83/698757683.db2.gz KWSXEKJPAIPFRN-HOCLYGCPSA-N 1 2 321.377 1.619 20 5 DDBDLO CC[N@@H+]1CC[C@@H]1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000712537330 699263766 /nfs/dbraw/zinc/26/37/66/699263766.db2.gz YCMWHQVJRVUEHI-MRVPVSSYSA-N 1 2 315.171 1.680 20 5 DDBDLO CC[N@H+]1CC[C@@H]1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000712537330 699263769 /nfs/dbraw/zinc/26/37/69/699263769.db2.gz YCMWHQVJRVUEHI-MRVPVSSYSA-N 1 2 315.171 1.680 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC(n2cc[nH+]c2)C1 ZINC000733984422 699630708 /nfs/dbraw/zinc/63/07/08/699630708.db2.gz XIDSABVQKRLQTN-UHFFFAOYSA-N 1 2 320.280 1.393 20 5 DDBDLO C[C@@]1(O)CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794673371 699823480 /nfs/dbraw/zinc/82/34/80/699823480.db2.gz STIHLKNTOWUDIO-OAHLLOKOSA-N 1 2 321.333 1.697 20 5 DDBDLO C[C@@]1(O)CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794673371 699823482 /nfs/dbraw/zinc/82/34/82/699823482.db2.gz STIHLKNTOWUDIO-OAHLLOKOSA-N 1 2 321.333 1.697 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)OCc1cccc2[nH+]ccn21 ZINC000770923247 701300356 /nfs/dbraw/zinc/30/03/56/701300356.db2.gz YQVUPEORBCSRAR-UHFFFAOYSA-N 1 2 315.289 1.573 20 5 DDBDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000805477469 701384730 /nfs/dbraw/zinc/38/47/30/701384730.db2.gz KBXIDKHNLABQIN-RISCZKNCSA-N 1 2 308.334 1.920 20 5 DDBDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000805477469 701384731 /nfs/dbraw/zinc/38/47/31/701384731.db2.gz KBXIDKHNLABQIN-RISCZKNCSA-N 1 2 308.334 1.920 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000866146202 706631718 /nfs/dbraw/zinc/63/17/18/706631718.db2.gz HVBMIQSFIRZEHV-OAHLLOKOSA-N 1 2 314.345 1.850 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000866146202 706631719 /nfs/dbraw/zinc/63/17/19/706631719.db2.gz HVBMIQSFIRZEHV-OAHLLOKOSA-N 1 2 314.345 1.850 20 5 DDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852438387 704049409 /nfs/dbraw/zinc/04/94/09/704049409.db2.gz PSFCOVPCRVBZCR-LLVKDONJSA-N 1 2 309.297 1.760 20 5 DDBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852438387 704049413 /nfs/dbraw/zinc/04/94/13/704049413.db2.gz PSFCOVPCRVBZCR-LLVKDONJSA-N 1 2 309.297 1.760 20 5 DDBDLO Nc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000854496077 704407863 /nfs/dbraw/zinc/40/78/63/704407863.db2.gz CTKASFJWPPHBGG-UHFFFAOYSA-N 1 2 315.333 1.891 20 5 DDBDLO C/C(=C\C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000857886703 704637955 /nfs/dbraw/zinc/63/79/55/704637955.db2.gz IIJHKWGIBLSXLF-VKUYVZBCSA-N 1 2 312.329 1.936 20 5 DDBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000882115487 707505287 /nfs/dbraw/zinc/50/52/87/707505287.db2.gz YCQHQRFUBCMEDB-CYBMUJFWSA-N 1 2 319.361 1.708 20 5 DDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882766715 707782899 /nfs/dbraw/zinc/78/28/99/707782899.db2.gz OUYFGCWXQUEIIH-SNVBAGLBSA-N 1 2 317.342 1.106 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000886202882 708714138 /nfs/dbraw/zinc/71/41/38/708714138.db2.gz HBWBJVUHPXEQEB-MNOVXSKESA-N 1 2 319.283 1.983 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000886202882 708714140 /nfs/dbraw/zinc/71/41/40/708714140.db2.gz HBWBJVUHPXEQEB-MNOVXSKESA-N 1 2 319.283 1.983 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000928651044 713251134 /nfs/dbraw/zinc/25/11/34/713251134.db2.gz OTGFBJWTGAWRRZ-CYBMUJFWSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1cc(Br)ccc1NC(=O)C[NH2+]CC[N+](=O)[O-] ZINC000905022104 711911556 /nfs/dbraw/zinc/91/15/56/711911556.db2.gz BZWSNPTURZRTTF-UHFFFAOYSA-N 1 2 316.155 1.562 20 5 DDBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)C3(O)CCCC3)C2)cc1 ZINC000905952116 712198920 /nfs/dbraw/zinc/19/89/20/712198920.db2.gz VUTYUNPGVZOYRU-OAHLLOKOSA-N 1 2 322.361 1.324 20 5 DDBDLO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000932345288 714314715 /nfs/dbraw/zinc/31/47/15/714314715.db2.gz YURPPPKDABODBW-LBPRGKRZSA-N 1 2 307.350 1.668 20 5 DDBDLO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000932345288 714314718 /nfs/dbraw/zinc/31/47/18/714314718.db2.gz YURPPPKDABODBW-LBPRGKRZSA-N 1 2 307.350 1.668 20 5 DDBDLO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000932826004 714420772 /nfs/dbraw/zinc/42/07/72/714420772.db2.gz IJLQGYTXRMJLEK-HUUCEWRRSA-N 1 2 312.329 1.978 20 5 DDBDLO O=C(OCc1ccccc1)[C@@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956877 762154261 /nfs/dbraw/zinc/15/42/61/762154261.db2.gz CMQLSIXTZLAFSJ-QLFBSQMISA-N 1 2 322.361 1.126 20 5 DDBDLO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)OC(C)(C)C ZINC001168972832 762162829 /nfs/dbraw/zinc/16/28/29/762162829.db2.gz BMHDHFZULJUBAN-NDBYEHHHSA-N 1 2 316.398 1.767 20 5 DDBDLO O=C(CCc1[nH]cc[nH+]1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093582139 774859019 /nfs/dbraw/zinc/85/90/19/774859019.db2.gz LSRZUZDYZKFRPM-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001150607330 862349091 /nfs/dbraw/zinc/34/90/91/862349091.db2.gz MLHDBRHDTJMWAH-CYBMUJFWSA-N 1 2 301.306 1.105 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156891589 863420760 /nfs/dbraw/zinc/42/07/60/863420760.db2.gz KPZZYMJAMRWGCN-UHFFFAOYSA-N 1 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COC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000252039444 282208465 /nfs/dbraw/zinc/20/84/65/282208465.db2.gz ZEDYVRJZMSUJNO-OLZOCXBDSA-N 1 2 310.350 1.709 20 5 DDBDLO COC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000252039444 282208466 /nfs/dbraw/zinc/20/84/66/282208466.db2.gz ZEDYVRJZMSUJNO-OLZOCXBDSA-N 1 2 310.350 1.709 20 5 DDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286597717 219073895 /nfs/dbraw/zinc/07/38/95/219073895.db2.gz WJZKGQUGDVFMLV-OLZOCXBDSA-N 1 2 316.304 1.984 20 5 DDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286597717 219073896 /nfs/dbraw/zinc/07/38/96/219073896.db2.gz WJZKGQUGDVFMLV-OLZOCXBDSA-N 1 2 316.304 1.984 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000492141745 529785294 /nfs/dbraw/zinc/78/52/94/529785294.db2.gz BWHGJLZFLXUGCH-XEVLESSRSA-N 1 2 317.345 1.149 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000492141745 529785295 /nfs/dbraw/zinc/78/52/95/529785295.db2.gz BWHGJLZFLXUGCH-XEVLESSRSA-N 1 2 317.345 1.149 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000161157012 290781835 /nfs/dbraw/zinc/78/18/35/290781835.db2.gz ZXMYNOXRLXEYIN-UHFFFAOYSA-N 1 2 312.289 1.766 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)n1 ZINC000341719378 282469848 /nfs/dbraw/zinc/46/98/48/282469848.db2.gz MWXIHNAELGFNSB-NSHDSACASA-N 1 2 318.337 1.426 20 5 DDBDLO COC(=O)c1cc(C)nc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000286956379 219244376 /nfs/dbraw/zinc/24/43/76/219244376.db2.gz MVPKQRGWQNCINT-UHFFFAOYSA-N 1 2 305.294 1.393 20 5 DDBDLO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000331375902 233223698 /nfs/dbraw/zinc/22/36/98/233223698.db2.gz GTVCSJZBFLPHSJ-JTQLQIEISA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000331375902 233223707 /nfs/dbraw/zinc/22/37/07/233223707.db2.gz GTVCSJZBFLPHSJ-JTQLQIEISA-N 1 2 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CC(=O)N1CC[NH+](CCNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263770796 408249232 /nfs/dbraw/zinc/24/92/32/408249232.db2.gz SNLMMIQWZOUGEH-UHFFFAOYSA-N 1 2 306.366 1.479 20 5 DDBDLO NC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000175759014 408197976 /nfs/dbraw/zinc/19/79/76/408197976.db2.gz ZSQGPLZGYKADEA-UHFFFAOYSA-N 1 2 312.757 1.881 20 5 DDBDLO CC(=O)c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000269476471 408321778 /nfs/dbraw/zinc/32/17/78/408321778.db2.gz KNLYTAWXXBGERE-ZDUSSCGKSA-N 1 2 304.350 1.209 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000176203585 408306878 /nfs/dbraw/zinc/30/68/78/408306878.db2.gz ACPVHNZOWRSMSX-CQSZACIVSA-N 1 2 302.334 1.865 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000176203585 408306883 /nfs/dbraw/zinc/30/68/83/408306883.db2.gz ACPVHNZOWRSMSX-CQSZACIVSA-N 1 2 302.334 1.865 20 5 DDBDLO CO[C@@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263903970 408306931 /nfs/dbraw/zinc/30/69/31/408306931.db2.gz QPKWYHXPANHHEJ-NSHDSACASA-N 1 2 318.333 1.935 20 5 DDBDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154430 162261692 /nfs/dbraw/zinc/26/16/92/162261692.db2.gz WRVISAXSGQVKBM-OCCSQVGLSA-N 1 2 321.377 1.710 20 5 DDBDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154430 162261694 /nfs/dbraw/zinc/26/16/94/162261694.db2.gz WRVISAXSGQVKBM-OCCSQVGLSA-N 1 2 321.377 1.710 20 5 DDBDLO Cc1c(CC(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000161709763 408630982 /nfs/dbraw/zinc/63/09/82/408630982.db2.gz VTYADLRBDSJOQQ-GFCCVEGCSA-N 1 2 321.377 1.283 20 5 DDBDLO C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270822150 408696076 /nfs/dbraw/zinc/69/60/76/408696076.db2.gz BINDMXXACFDRPA-VXGBXAGGSA-N 1 2 307.350 1.181 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000185129716 408765138 /nfs/dbraw/zinc/76/51/38/408765138.db2.gz VOMXVESTSNBHNL-WVDJIFEKSA-N 1 2 300.380 1.802 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000185129716 408765143 /nfs/dbraw/zinc/76/51/43/408765143.db2.gz VOMXVESTSNBHNL-WVDJIFEKSA-N 1 2 300.380 1.802 20 5 DDBDLO CN(C)c1[nH+]cccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188421719 163052626 /nfs/dbraw/zinc/05/26/26/163052626.db2.gz DSESREOULIXTIC-UHFFFAOYSA-N 1 2 303.278 1.409 20 5 DDBDLO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000277390024 408932451 /nfs/dbraw/zinc/93/24/51/408932451.db2.gz XFWRYJZRMWUNSJ-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO COC(=O)[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000282420050 409051382 /nfs/dbraw/zinc/05/13/82/409051382.db2.gz JIYOIBBODWLCJA-BXUZGUMPSA-N 1 2 324.333 1.236 20 5 DDBDLO COC(=O)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000282420050 409051384 /nfs/dbraw/zinc/05/13/84/409051384.db2.gz JIYOIBBODWLCJA-BXUZGUMPSA-N 1 2 324.333 1.236 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000279292000 409186791 /nfs/dbraw/zinc/18/67/91/409186791.db2.gz LOAWVPDLDLHFPA-UHFFFAOYSA-N 1 2 321.377 1.778 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000279292000 409186793 /nfs/dbraw/zinc/18/67/93/409186793.db2.gz LOAWVPDLDLHFPA-UHFFFAOYSA-N 1 2 321.377 1.778 20 5 DDBDLO COCCOCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289025643 409208665 /nfs/dbraw/zinc/20/86/65/409208665.db2.gz OEZKQNJZAQZLON-UHFFFAOYSA-N 1 2 311.338 1.128 20 5 DDBDLO COCCOCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289025643 409208669 /nfs/dbraw/zinc/20/86/69/409208669.db2.gz OEZKQNJZAQZLON-UHFFFAOYSA-N 1 2 311.338 1.128 20 5 DDBDLO O=C(C[NH+]1CCC(OCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000321902610 164046270 /nfs/dbraw/zinc/04/62/70/164046270.db2.gz NKTWHIAEIVOTRE-UHFFFAOYSA-N 1 2 323.349 1.007 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)c(Cl)c1 ZINC000313633151 409809515 /nfs/dbraw/zinc/80/95/15/409809515.db2.gz IGCGPYLPCGHYBG-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)c(Cl)c1 ZINC000313633151 409809525 /nfs/dbraw/zinc/80/95/25/409809525.db2.gz IGCGPYLPCGHYBG-ZDUSSCGKSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313644573 409816636 /nfs/dbraw/zinc/81/66/36/409816636.db2.gz SXYYSVBETCMRAE-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313644573 409816639 /nfs/dbraw/zinc/81/66/39/409816639.db2.gz SXYYSVBETCMRAE-CYBMUJFWSA-N 1 2 300.742 1.567 20 5 DDBDLO Cc1c[nH+]c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C ZINC000342790678 409907217 /nfs/dbraw/zinc/90/72/17/409907217.db2.gz ATHNEYVKPCETLE-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO CCn1nccc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000352358369 410644275 /nfs/dbraw/zinc/64/42/75/410644275.db2.gz UGLIMGDXFDTUJH-UHFFFAOYSA-N 1 2 305.338 1.105 20 5 DDBDLO CCn1nccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000352358369 410644280 /nfs/dbraw/zinc/64/42/80/410644280.db2.gz UGLIMGDXFDTUJH-UHFFFAOYSA-N 1 2 305.338 1.105 20 5 DDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000337428075 410776475 /nfs/dbraw/zinc/77/64/75/410776475.db2.gz XSTVJCZTLQQCCK-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000337428075 410776481 /nfs/dbraw/zinc/77/64/81/410776481.db2.gz XSTVJCZTLQQCCK-AWEZNQCLSA-N 1 2 312.391 1.994 20 5 DDBDLO COc1ccc(CNc2[nH+]cnc3c2cnn3C)cc1[N+](=O)[O-] ZINC000337536765 410853463 /nfs/dbraw/zinc/85/34/63/410853463.db2.gz YKQWSBNCWSEKCB-UHFFFAOYSA-N 1 2 314.305 1.892 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337575060 410872083 /nfs/dbraw/zinc/87/20/83/410872083.db2.gz FSZRSNUGUKMUQJ-ZDUSSCGKSA-N 1 2 301.306 1.105 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000331056802 410921101 /nfs/dbraw/zinc/92/11/01/410921101.db2.gz LOOYMPPUGAKDME-UHFFFAOYSA-N 1 2 324.381 1.882 20 5 DDBDLO CCN1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000359988224 410986092 /nfs/dbraw/zinc/98/60/92/410986092.db2.gz RLYWHWSBALTHOQ-GFCCVEGCSA-N 1 2 302.338 1.596 20 5 DDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374566254 418541483 /nfs/dbraw/zinc/54/14/83/418541483.db2.gz NKYXZULTRLPGHI-MJVIPROJSA-N 1 2 307.325 1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374566254 418541487 /nfs/dbraw/zinc/54/14/87/418541487.db2.gz NKYXZULTRLPGHI-MJVIPROJSA-N 1 2 307.325 1.820 20 5 DDBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000187327008 221981461 /nfs/dbraw/zinc/98/14/61/221981461.db2.gz HEJOJHLRKIEOLR-MRXNPFEDSA-N 1 2 321.377 1.964 20 5 DDBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000187327008 221981463 /nfs/dbraw/zinc/98/14/63/221981463.db2.gz HEJOJHLRKIEOLR-MRXNPFEDSA-N 1 2 321.377 1.964 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000368285303 418714687 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CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1C ZINC000436895092 420381357 /nfs/dbraw/zinc/38/13/57/420381357.db2.gz HVGABCJBTHSMLC-MNOVXSKESA-N 1 2 307.350 1.855 20 5 DDBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1C ZINC000436895092 420381360 /nfs/dbraw/zinc/38/13/60/420381360.db2.gz HVGABCJBTHSMLC-MNOVXSKESA-N 1 2 307.350 1.855 20 5 DDBDLO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000302360598 230225482 /nfs/dbraw/zinc/22/54/82/230225482.db2.gz CVVSLXGKSSELQJ-SECBINFHSA-N 1 2 301.293 1.376 20 5 DDBDLO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000302360598 230225490 /nfs/dbraw/zinc/22/54/90/230225490.db2.gz CVVSLXGKSSELQJ-SECBINFHSA-N 1 2 301.293 1.376 20 5 DDBDLO CO[C@H]1COCC[C@@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450698598 420510664 /nfs/dbraw/zinc/51/06/64/420510664.db2.gz JLRONWXNCWPGAY-RNCFNFMXSA-N 1 2 306.322 1.356 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492868191 420693790 /nfs/dbraw/zinc/69/37/90/420693790.db2.gz MRUIMNUAOIJRGD-SZZPACECSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492868191 420693793 /nfs/dbraw/zinc/69/37/93/420693793.db2.gz MRUIMNUAOIJRGD-SZZPACECSA-N 1 2 319.361 1.445 20 5 DDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000492872930 420695506 /nfs/dbraw/zinc/69/55/06/420695506.db2.gz ZPGLAEJJIGUFCR-DAFODLJHSA-N 1 2 312.289 1.524 20 5 DDBDLO O=C(NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448558957 420863043 /nfs/dbraw/zinc/86/30/43/420863043.db2.gz WVELLNKHWRQTMQ-GFCCVEGCSA-N 1 2 316.317 1.689 20 5 DDBDLO CC[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450400142 421192864 /nfs/dbraw/zinc/19/28/64/421192864.db2.gz FVACDAXENSLJLN-OAHLLOKOSA-N 1 2 318.333 1.671 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000523487807 421240119 /nfs/dbraw/zinc/24/01/19/421240119.db2.gz CTQMYPWCOWAQJL-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000523487807 421240122 /nfs/dbraw/zinc/24/01/22/421240122.db2.gz CTQMYPWCOWAQJL-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@@H](O)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450539736 421207389 /nfs/dbraw/zinc/20/73/89/421207389.db2.gz MASSBQNSCWGXOF-GHMZBOCLSA-N 1 2 318.333 1.670 20 5 DDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561170815 421309916 /nfs/dbraw/zinc/30/99/16/421309916.db2.gz RUYLWBHHRZUIPY-GFCCVEGCSA-N 1 2 300.318 1.670 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000563378697 421496343 /nfs/dbraw/zinc/49/63/43/421496343.db2.gz OEJSEDZQDGGFNC-UHFFFAOYSA-N 1 2 307.350 1.561 20 5 DDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553544122 421618943 /nfs/dbraw/zinc/61/89/43/421618943.db2.gz IIZXFVISUIFSBJ-CYBMUJFWSA-N 1 2 314.345 1.713 20 5 DDBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000543545339 421838665 /nfs/dbraw/zinc/83/86/65/421838665.db2.gz KEPFKHDFOSDWED-BDAKNGLRSA-N 1 2 319.321 1.964 20 5 DDBDLO CNC(=O)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000588420185 422315379 /nfs/dbraw/zinc/31/53/79/422315379.db2.gz SVPZBBBHTDKEGA-SDQPKGBYSA-N 1 2 305.334 1.055 20 5 DDBDLO CNC(=O)[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000588420185 422315382 /nfs/dbraw/zinc/31/53/82/422315382.db2.gz SVPZBBBHTDKEGA-SDQPKGBYSA-N 1 2 305.334 1.055 20 5 DDBDLO C[C@@H](O)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341635471 271148198 /nfs/dbraw/zinc/14/81/98/271148198.db2.gz RDQFXAQHJGTQIC-WDEREUQCSA-N 1 2 318.333 1.670 20 5 DDBDLO CC(C)(C(=O)NCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429913214 278272458 /nfs/dbraw/zinc/27/24/58/278272458.db2.gz ZQIHMVVLFMMDNA-UHFFFAOYSA-N 1 2 321.377 1.321 20 5 DDBDLO NC(=O)N1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118946400 281087338 /nfs/dbraw/zinc/08/73/38/281087338.db2.gz ZSSMHQHAKNTTSD-UHFFFAOYSA-N 1 2 312.757 1.835 20 5 DDBDLO NC(=O)N1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118946400 281087344 /nfs/dbraw/zinc/08/73/44/281087344.db2.gz ZSSMHQHAKNTTSD-UHFFFAOYSA-N 1 2 312.757 1.835 20 5 DDBDLO Cc1sc(S(=O)(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000126546128 281244154 /nfs/dbraw/zinc/24/41/54/281244154.db2.gz BMLADHQJFBMOOX-UHFFFAOYSA-N 1 2 316.364 1.177 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000170866274 281285046 /nfs/dbraw/zinc/28/50/46/281285046.db2.gz KSBJBFGYLNWSCA-UHFFFAOYSA-N 1 2 321.377 1.364 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000170866274 281285049 /nfs/dbraw/zinc/28/50/49/281285049.db2.gz KSBJBFGYLNWSCA-UHFFFAOYSA-N 1 2 321.377 1.364 20 5 DDBDLO Cc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000279270427 301080387 /nfs/dbraw/zinc/08/03/87/301080387.db2.gz JHRPLLNROCQNOO-ZDUSSCGKSA-N 1 2 321.377 1.696 20 5 DDBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370806885 301395346 /nfs/dbraw/zinc/39/53/46/301395346.db2.gz YNLYECJANCSFAE-GFCCVEGCSA-N 1 2 323.324 1.281 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396821772 302349865 /nfs/dbraw/zinc/34/98/65/302349865.db2.gz KODXUOINFMENIQ-RNCFNFMXSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396821772 302349869 /nfs/dbraw/zinc/34/98/69/302349869.db2.gz KODXUOINFMENIQ-RNCFNFMXSA-N 1 2 300.742 1.423 20 5 DDBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000533033215 303306122 /nfs/dbraw/zinc/30/61/22/303306122.db2.gz TWYYXAAQSMMGEA-CYBMUJFWSA-N 1 2 322.340 1.724 20 5 DDBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000533033215 303306123 /nfs/dbraw/zinc/30/61/23/303306123.db2.gz TWYYXAAQSMMGEA-CYBMUJFWSA-N 1 2 322.340 1.724 20 5 DDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC(n2cc[nH+]c2)C1 ZINC000537605994 303375916 /nfs/dbraw/zinc/37/59/16/303375916.db2.gz FTIJBVDZNYHQCU-UHFFFAOYSA-N 1 2 316.273 1.217 20 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307146223 /nfs/dbraw/zinc/14/62/23/307146223.db2.gz XRZBGVJFNXRVBE-MRVPVSSYSA-N 1 2 318.337 1.281 20 5 DDBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000371274870 307146224 /nfs/dbraw/zinc/14/62/24/307146224.db2.gz XRZBGVJFNXRVBE-MRVPVSSYSA-N 1 2 318.337 1.281 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375355472 307223891 /nfs/dbraw/zinc/22/38/91/307223891.db2.gz WUWHIYLAWHVTLA-UHFFFAOYSA-N 1 2 319.361 1.906 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2nncc2C1 ZINC000577506386 308394035 /nfs/dbraw/zinc/39/40/35/308394035.db2.gz ULOPWWFCEKTQQD-UHFFFAOYSA-N 1 2 303.322 1.601 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2nncc2C1 ZINC000577506386 308394036 /nfs/dbraw/zinc/39/40/36/308394036.db2.gz ULOPWWFCEKTQQD-UHFFFAOYSA-N 1 2 303.322 1.601 20 5 DDBDLO Cn1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000331754605 534680116 /nfs/dbraw/zinc/68/01/16/534680116.db2.gz HZPJZCJZNRCQGC-UHFFFAOYSA-N 1 2 321.362 1.630 20 5 DDBDLO Cn1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000331754605 534680120 /nfs/dbraw/zinc/68/01/20/534680120.db2.gz HZPJZCJZNRCQGC-UHFFFAOYSA-N 1 2 321.362 1.630 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000413130090 534888487 /nfs/dbraw/zinc/88/84/87/534888487.db2.gz CNQOIQWNUGMTCH-UHFFFAOYSA-N 1 2 306.301 1.174 20 5 DDBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000495201831 529192249 /nfs/dbraw/zinc/19/22/49/529192249.db2.gz MFTONLUCDDBILK-HNNXBMFYSA-N 1 2 321.377 1.916 20 5 DDBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000495201831 529192250 /nfs/dbraw/zinc/19/22/50/529192250.db2.gz MFTONLUCDDBILK-HNNXBMFYSA-N 1 2 321.377 1.916 20 5 DDBDLO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799169431 700126097 /nfs/dbraw/zinc/12/60/97/700126097.db2.gz JIJHVHVOBARURR-SMDDNHRTSA-N 1 2 310.350 1.902 20 5 DDBDLO CC[C@H](C)[N@H+](CC(=O)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799169431 700126099 /nfs/dbraw/zinc/12/60/99/700126099.db2.gz JIJHVHVOBARURR-SMDDNHRTSA-N 1 2 310.350 1.902 20 5 DDBDLO Cc1nn(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000779865442 698476445 /nfs/dbraw/zinc/47/64/45/698476445.db2.gz OAWIWVOROAZCNT-CYBMUJFWSA-N 1 2 310.354 1.327 20 5 DDBDLO Cc1nn(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000779868271 698477016 /nfs/dbraw/zinc/47/70/16/698477016.db2.gz LBDLOLZHSQYWRI-OAHLLOKOSA-N 1 2 320.324 1.790 20 5 DDBDLO Cc1nn(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000779868271 698477018 /nfs/dbraw/zinc/47/70/18/698477018.db2.gz LBDLOLZHSQYWRI-OAHLLOKOSA-N 1 2 320.324 1.790 20 5 DDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801520566 700316832 /nfs/dbraw/zinc/31/68/32/700316832.db2.gz GOYQZURFYZRFMR-UHFFFAOYSA-N 1 2 324.356 1.115 20 5 DDBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000763874792 700951173 /nfs/dbraw/zinc/95/11/73/700951173.db2.gz JDLHTALIORHWQE-CYBMUJFWSA-N 1 2 300.330 1.952 20 5 DDBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000763874792 700951174 /nfs/dbraw/zinc/95/11/74/700951174.db2.gz JDLHTALIORHWQE-CYBMUJFWSA-N 1 2 300.330 1.952 20 5 DDBDLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(N)c([N+](=O)[O-])c1 ZINC000804333138 701179308 /nfs/dbraw/zinc/17/93/08/701179308.db2.gz GEMZGUPOEDQIFD-SNVBAGLBSA-N 1 2 315.333 1.427 20 5 DDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000768761681 701200513 /nfs/dbraw/zinc/20/05/13/701200513.db2.gz INRLZKNKWKDPBT-UFBFGSQYSA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000768761681 701200510 /nfs/dbraw/zinc/20/05/10/701200510.db2.gz INRLZKNKWKDPBT-UFBFGSQYSA-N 1 2 313.741 1.499 20 5 DDBDLO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000812296774 702140900 /nfs/dbraw/zinc/14/09/00/702140900.db2.gz UDWVWIMOBUCLED-NSHDSACASA-N 1 2 307.306 1.571 20 5 DDBDLO CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000812296774 702140902 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CC(C)(C)OC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000871991668 707271422 /nfs/dbraw/zinc/27/14/22/707271422.db2.gz GVAJQTMBIBESAF-CYBMUJFWSA-N 1 2 324.377 1.834 20 5 DDBDLO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036703 707284453 /nfs/dbraw/zinc/28/44/53/707284453.db2.gz VKXWGKMFSIKDOI-NWDGAFQWSA-N 1 2 310.373 1.630 20 5 DDBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000886178617 708710612 /nfs/dbraw/zinc/71/06/12/708710612.db2.gz AHSMVZJVLOIOPQ-JMSVASOKSA-N 1 2 307.350 1.758 20 5 DDBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000886178617 708710613 /nfs/dbraw/zinc/71/06/13/708710613.db2.gz AHSMVZJVLOIOPQ-JMSVASOKSA-N 1 2 307.350 1.758 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000886202884 708714173 /nfs/dbraw/zinc/71/41/73/708714173.db2.gz HBWBJVUHPXEQEB-WDEREUQCSA-N 1 2 319.283 1.983 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000886202884 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O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(CO)CC2)c(Cl)c1 ZINC000313627291 354480571 /nfs/dbraw/zinc/48/05/71/354480571.db2.gz MWDZBSRBTLNMIF-UHFFFAOYSA-N 1 2 300.742 1.567 20 5 DDBDLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000587051297 354879324 /nfs/dbraw/zinc/87/93/24/354879324.db2.gz KLMPHOQSVGXWQM-GFCCVEGCSA-N 1 2 300.318 1.845 20 5 DDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4COC[C@H](C3)O4)c2c1 ZINC000591158572 355257782 /nfs/dbraw/zinc/25/77/82/355257782.db2.gz GSOACHYKVDDFEZ-BETUJISGSA-N 1 2 301.302 1.747 20 5 DDBDLO COCCOCC[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000593516570 355910970 /nfs/dbraw/zinc/91/09/70/355910970.db2.gz FLZCXUSPGVLJAF-UHFFFAOYSA-N 1 2 315.395 1.441 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595101308 356382681 /nfs/dbraw/zinc/38/26/81/356382681.db2.gz CZKGUPNBTCXFHU-UBHSHLNASA-N 1 2 302.334 1.531 20 5 DDBDLO Cc1noc(CN2CCN(c3cc(C)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595357265 356462969 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ZINC000285219574 218338199 /nfs/dbraw/zinc/33/81/99/218338199.db2.gz FESQGPXKGGDRGJ-JKSUJKDBSA-N 1 2 322.361 1.510 20 5 DDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285219574 218338200 /nfs/dbraw/zinc/33/82/00/218338200.db2.gz FESQGPXKGGDRGJ-JKSUJKDBSA-N 1 2 322.361 1.510 20 5 DDBDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000431414497 533085976 /nfs/dbraw/zinc/08/59/76/533085976.db2.gz NBPYWWJODZFBIQ-UHFFFAOYSA-N 1 2 303.278 1.104 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000155000545 197012387 /nfs/dbraw/zinc/01/23/87/197012387.db2.gz PHSAZQVQBPTCRH-UHFFFAOYSA-N 1 2 303.322 1.536 20 5 DDBDLO CC(C)OCC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709344 285244989 /nfs/dbraw/zinc/24/49/89/285244989.db2.gz KOSBBHFMOINNCZ-OAHLLOKOSA-N 1 2 324.377 1.965 20 5 DDBDLO CC(C)OCC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709344 285244993 /nfs/dbraw/zinc/24/49/93/285244993.db2.gz KOSBBHFMOINNCZ-OAHLLOKOSA-N 1 2 324.377 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O=[N+]([O-])c1cnc(NCc2ccc(N3CCOCC3)[nH+]c2)nc1 ZINC000273564595 408248640 /nfs/dbraw/zinc/24/86/40/408248640.db2.gz CEDNJTLYWKRFDM-UHFFFAOYSA-N 1 2 316.321 1.229 20 5 DDBDLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000264198530 408398968 /nfs/dbraw/zinc/39/89/68/408398968.db2.gz DXGOJWNYPRXWTD-SNVBAGLBSA-N 1 2 303.322 1.500 20 5 DDBDLO COc1ccc(NC(=O)C[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC000177319421 408579348 /nfs/dbraw/zinc/57/93/48/408579348.db2.gz CHEOOKICVWNSLO-UHFFFAOYSA-N 1 2 323.349 1.389 20 5 DDBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000195518570 163328601 /nfs/dbraw/zinc/32/86/01/163328601.db2.gz VWFCQVJKILONDR-UHFFFAOYSA-N 1 2 317.349 1.789 20 5 DDBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000195518570 163328604 /nfs/dbraw/zinc/32/86/04/163328604.db2.gz VWFCQVJKILONDR-UHFFFAOYSA-N 1 2 317.349 1.789 20 5 DDBDLO CC(C)([NH2+]Cc1nnnn1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000292052109 408970715 /nfs/dbraw/zinc/97/07/15/408970715.db2.gz BPYNMQAGUHMZGT-UHFFFAOYSA-N 1 2 302.338 1.941 20 5 DDBDLO CS(=O)(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000282289393 409027161 /nfs/dbraw/zinc/02/71/61/409027161.db2.gz SBXAQVBPUHTVRN-ZDUSSCGKSA-N 1 2 314.363 1.093 20 5 DDBDLO CS(=O)(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000282289393 409027163 /nfs/dbraw/zinc/02/71/63/409027163.db2.gz SBXAQVBPUHTVRN-ZDUSSCGKSA-N 1 2 314.363 1.093 20 5 DDBDLO CCC1(O)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000282840618 409064556 /nfs/dbraw/zinc/06/45/56/409064556.db2.gz FITACXNBRNBBJJ-UHFFFAOYSA-N 1 2 316.317 1.377 20 5 DDBDLO COCCCONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287669534 409074171 /nfs/dbraw/zinc/07/41/71/409074171.db2.gz DDGBLKBSDAOMHQ-UHFFFAOYSA-N 1 2 320.305 1.478 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278975907 409124151 /nfs/dbraw/zinc/12/41/51/409124151.db2.gz ZVGZZUWKKQNCKC-GFCCVEGCSA-N 1 2 322.365 1.779 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000279260103 409180982 /nfs/dbraw/zinc/18/09/82/409180982.db2.gz IELIPGVSGGQNLY-LBPRGKRZSA-N 1 2 307.350 1.388 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000284161219 409287706 /nfs/dbraw/zinc/28/77/06/409287706.db2.gz QXAJKLORWTZFRF-KGLIPLIRSA-N 1 2 323.324 1.279 20 5 DDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000284161219 409287707 /nfs/dbraw/zinc/28/77/07/409287707.db2.gz QXAJKLORWTZFRF-KGLIPLIRSA-N 1 2 323.324 1.279 20 5 DDBDLO COc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000280214582 409271097 /nfs/dbraw/zinc/27/10/97/409271097.db2.gz AHXPQFAKFPCZNN-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000280214582 409271098 /nfs/dbraw/zinc/27/10/98/409271098.db2.gz AHXPQFAKFPCZNN-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO CC(C)(C)OC(=O)C1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295959336 409384010 /nfs/dbraw/zinc/38/40/10/409384010.db2.gz PMMVPMXCAJTQOF-CQSZACIVSA-N 1 2 322.361 1.902 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280554541 409356392 /nfs/dbraw/zinc/35/63/92/409356392.db2.gz QSYHKOUXGUSDPC-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280554541 409356399 /nfs/dbraw/zinc/35/63/99/409356399.db2.gz QSYHKOUXGUSDPC-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352988839 410718462 /nfs/dbraw/zinc/71/84/62/410718462.db2.gz PKLCPKDDVYVZOE-QKCSRTOESA-N 1 2 310.375 1.775 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000352988839 410718470 /nfs/dbraw/zinc/71/84/70/410718470.db2.gz PKLCPKDDVYVZOE-QKCSRTOESA-N 1 2 310.375 1.775 20 5 DDBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCn2c[nH+]cc2C1 ZINC000359481693 410683046 /nfs/dbraw/zinc/68/30/46/410683046.db2.gz MSVDYZGUCLCLKV-UHFFFAOYSA-N 1 2 311.301 1.929 20 5 DDBDLO CS(=O)(=O)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000337411385 410765247 /nfs/dbraw/zinc/76/52/47/410765247.db2.gz QVTFXTFNUVJPJF-AGLBCWCQSA-N 1 2 310.375 1.727 20 5 DDBDLO CS(=O)(=O)[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000337411385 410765252 /nfs/dbraw/zinc/76/52/52/410765252.db2.gz QVTFXTFNUVJPJF-AGLBCWCQSA-N 1 2 310.375 1.727 20 5 DDBDLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OC ZINC000359679203 410811643 /nfs/dbraw/zinc/81/16/43/410811643.db2.gz IXAJVYZYTUUZDN-UHFFFAOYSA-N 1 2 306.278 1.265 20 5 DDBDLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000359679203 410811650 /nfs/dbraw/zinc/81/16/50/410811650.db2.gz IXAJVYZYTUUZDN-UHFFFAOYSA-N 1 2 306.278 1.265 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337565201 410867274 /nfs/dbraw/zinc/86/72/74/410867274.db2.gz AWVCLDCJLLVYPT-CQSZACIVSA-N 1 2 318.308 1.849 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344165804 411002437 /nfs/dbraw/zinc/00/24/37/411002437.db2.gz BKFRARCAINKIKT-SNVBAGLBSA-N 1 2 311.313 1.184 20 5 DDBDLO O=C(NCCC[NH+]1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348657293 411049510 /nfs/dbraw/zinc/04/95/10/411049510.db2.gz UBOUXWLRUAZIJM-UHFFFAOYSA-N 1 2 307.350 1.906 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353628683 411089247 /nfs/dbraw/zinc/08/92/47/411089247.db2.gz BRBRVGCPQXEDPK-TZMCWYRMSA-N 1 2 302.334 1.796 20 5 DDBDLO COC(=O)c1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc([N+](=O)[O-])c1 ZINC000580568521 422942026 /nfs/dbraw/zinc/94/20/26/422942026.db2.gz IZJSIHAECVMVSR-JTQLQIEISA-N 1 2 321.333 1.660 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000134427246 196390569 /nfs/dbraw/zinc/39/05/69/196390569.db2.gz PAALQURBTBAJFQ-UONOGXRCSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000134427246 196390571 /nfs/dbraw/zinc/39/05/71/196390571.db2.gz PAALQURBTBAJFQ-UONOGXRCSA-N 1 2 320.349 1.450 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373984001 418479488 /nfs/dbraw/zinc/47/94/88/418479488.db2.gz QSSNTADLGJKCGO-LALPHHSUSA-N 1 2 324.381 1.487 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373984001 418479490 /nfs/dbraw/zinc/47/94/90/418479490.db2.gz QSSNTADLGJKCGO-LALPHHSUSA-N 1 2 324.381 1.487 20 5 DDBDLO O=C(NCCn1cc[nH+]c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000193564639 418532369 /nfs/dbraw/zinc/53/23/69/418532369.db2.gz VVDZCNWLUQJPPT-UHFFFAOYSA-N 1 2 300.278 1.098 20 5 DDBDLO CCOCC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000360904345 418544778 /nfs/dbraw/zinc/54/47/78/418544778.db2.gz QWAZDJJKZYIFST-UHFFFAOYSA-N 1 2 321.377 1.956 20 5 DDBDLO COc1cccc(C(=O)NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000195311102 222197974 /nfs/dbraw/zinc/19/79/74/222197974.db2.gz JFNBIEQWLPINRK-UHFFFAOYSA-N 1 2 304.306 1.620 20 5 DDBDLO Nc1nc(N[C@H]2CCCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000378332913 418721175 /nfs/dbraw/zinc/72/11/75/418721175.db2.gz NHJVRVHLDWNFRR-JTQLQIEISA-N 1 2 315.337 1.443 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1O ZINC000371602167 418803575 /nfs/dbraw/zinc/80/35/75/418803575.db2.gz OOFDBGWBQQYXJR-WDEREUQCSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1O ZINC000371602167 418803577 /nfs/dbraw/zinc/80/35/77/418803577.db2.gz OOFDBGWBQQYXJR-WDEREUQCSA-N 1 2 305.334 1.657 20 5 DDBDLO COc1cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000420949053 419377641 /nfs/dbraw/zinc/37/76/41/419377641.db2.gz WBJZCZZVZCTQMV-GFCCVEGCSA-N 1 2 310.350 1.575 20 5 DDBDLO COc1cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000420949053 419377646 /nfs/dbraw/zinc/37/76/46/419377646.db2.gz WBJZCZZVZCTQMV-GFCCVEGCSA-N 1 2 310.350 1.575 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000433803062 229235307 /nfs/dbraw/zinc/23/53/07/229235307.db2.gz BNLIZJMTVKMTGO-UHFFFAOYSA-N 1 2 306.366 1.883 20 5 DDBDLO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000429573385 420027583 /nfs/dbraw/zinc/02/75/83/420027583.db2.gz AVYHPDVPSBIKQO-QKVFXAPYSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000429573385 420027586 /nfs/dbraw/zinc/02/75/86/420027586.db2.gz AVYHPDVPSBIKQO-QKVFXAPYSA-N 1 2 312.391 1.817 20 5 DDBDLO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000458235643 420644069 /nfs/dbraw/zinc/64/40/69/420644069.db2.gz YFGBRBLVIPKPAN-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCC[C@@H](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000458235643 420644072 /nfs/dbraw/zinc/64/40/72/420644072.db2.gz YFGBRBLVIPKPAN-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO O=C(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000450566722 421210650 /nfs/dbraw/zinc/21/06/50/421210650.db2.gz RWIQAIRNYVTQLR-UHFFFAOYSA-N 1 2 314.301 1.489 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000450542779 421208502 /nfs/dbraw/zinc/20/85/02/421208502.db2.gz WRGWNBGCMQVAMU-GFCCVEGCSA-N 1 2 322.365 1.595 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000450542779 421208504 /nfs/dbraw/zinc/20/85/04/421208504.db2.gz WRGWNBGCMQVAMU-GFCCVEGCSA-N 1 2 322.365 1.595 20 5 DDBDLO Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])cn3C)[nH+]c2c1 ZINC000516249505 421535631 /nfs/dbraw/zinc/53/56/31/421535631.db2.gz KNKVZCZYMDNSES-UHFFFAOYSA-N 1 2 313.317 1.819 20 5 DDBDLO C[C@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000531340073 421629873 /nfs/dbraw/zinc/62/98/73/421629873.db2.gz UMHOKWIMHSPYHT-LBPRGKRZSA-N 1 2 304.350 1.711 20 5 DDBDLO C[C@H](O)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000531340073 421629876 /nfs/dbraw/zinc/62/98/76/421629876.db2.gz UMHOKWIMHSPYHT-LBPRGKRZSA-N 1 2 304.350 1.711 20 5 DDBDLO CCc1nn(C)c(NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000557490402 421772759 /nfs/dbraw/zinc/77/27/59/421772759.db2.gz JRASFGHBABRQSY-UHFFFAOYSA-N 1 2 324.429 1.330 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708271 422478759 /nfs/dbraw/zinc/47/87/59/422478759.db2.gz SQUZMEWHOKYLOD-LLVKDONJSA-N 1 2 317.349 1.671 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708271 422478763 /nfs/dbraw/zinc/47/87/63/422478763.db2.gz SQUZMEWHOKYLOD-LLVKDONJSA-N 1 2 317.349 1.671 20 5 DDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000341690973 271172827 /nfs/dbraw/zinc/17/28/27/271172827.db2.gz ADNBJCZFZFPOSF-ZDUSSCGKSA-N 1 2 316.317 1.915 20 5 DDBDLO Cc1nn(C)c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000341697015 271175962 /nfs/dbraw/zinc/17/59/62/271175962.db2.gz WIQJSUSAASCNMQ-JTQLQIEISA-N 1 2 318.337 1.251 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000428363375 281008433 /nfs/dbraw/zinc/00/84/33/281008433.db2.gz LRSIGIOUGMEFCR-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO C[NH+](C)C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCOCC1 ZINC000280747204 289058238 /nfs/dbraw/zinc/05/82/38/289058238.db2.gz KEITZSCOMSWLME-UHFFFAOYSA-N 1 2 323.349 1.141 20 5 DDBDLO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354222151 298370626 /nfs/dbraw/zinc/37/06/26/298370626.db2.gz VVLFBHRYSKLZNZ-UHFFFAOYSA-N 1 2 318.333 1.968 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C2 ZINC000377374501 302174814 /nfs/dbraw/zinc/17/48/14/302174814.db2.gz QRDQRMZYFMONOL-NSHDSACASA-N 1 2 315.333 1.548 20 5 DDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000377733118 302222219 /nfs/dbraw/zinc/22/22/19/302222219.db2.gz SMZNUPOILVYOAJ-UHFFFAOYSA-N 1 2 322.346 1.137 20 5 DDBDLO O=[N+]([O-])c1cccc2ncnc(SCC[NH+]3CCOCC3)c21 ZINC000357330716 306876871 /nfs/dbraw/zinc/87/68/71/306876871.db2.gz CANMGZNIWKESMA-UHFFFAOYSA-N 1 2 320.374 1.962 20 5 DDBDLO Cc1cc(C)n([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363449662 307028291 /nfs/dbraw/zinc/02/82/91/307028291.db2.gz MGQUMJWASIZPQF-CYBMUJFWSA-N 1 2 318.381 1.979 20 5 DDBDLO Cc1cc(C)n([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363449662 307028292 /nfs/dbraw/zinc/02/82/92/307028292.db2.gz MGQUMJWASIZPQF-CYBMUJFWSA-N 1 2 318.381 1.979 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364004399 307039439 /nfs/dbraw/zinc/03/94/39/307039439.db2.gz WFVAYVVQGBRHGK-SNVBAGLBSA-N 1 2 302.294 1.272 20 5 DDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369490216 307121712 /nfs/dbraw/zinc/12/17/12/307121712.db2.gz AOHRVPLYALKIHT-GFCCVEGCSA-N 1 2 319.361 1.858 20 5 DDBDLO CN1C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000373246724 307182521 /nfs/dbraw/zinc/18/25/21/307182521.db2.gz PGIMYHDBORIPFL-GFCCVEGCSA-N 1 2 320.349 1.025 20 5 DDBDLO CN1C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000373246724 307182522 /nfs/dbraw/zinc/18/25/22/307182522.db2.gz PGIMYHDBORIPFL-GFCCVEGCSA-N 1 2 320.349 1.025 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375801297 307231990 /nfs/dbraw/zinc/23/19/90/307231990.db2.gz IXIKQQQZSIOFOG-CVEARBPZSA-N 1 2 322.361 1.853 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375801297 307231991 /nfs/dbraw/zinc/23/19/91/307231991.db2.gz IXIKQQQZSIOFOG-CVEARBPZSA-N 1 2 322.361 1.853 20 5 DDBDLO O=C1OC[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN12 ZINC000378344707 307286293 /nfs/dbraw/zinc/28/62/93/307286293.db2.gz BUGUMCHVDPEKGS-LQPUYASZSA-N 1 2 303.318 1.744 20 5 DDBDLO O=C1OC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCN12 ZINC000378344707 307286294 /nfs/dbraw/zinc/28/62/94/307286294.db2.gz BUGUMCHVDPEKGS-LQPUYASZSA-N 1 2 303.318 1.744 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378490519 307289433 /nfs/dbraw/zinc/28/94/33/307289433.db2.gz DQJDBSQNIUWMIE-OLZOCXBDSA-N 1 2 319.361 1.905 20 5 DDBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000496587190 307352918 /nfs/dbraw/zinc/35/29/18/307352918.db2.gz WFOPJWJRQNVLBR-ZDUSSCGKSA-N 1 2 323.349 1.963 20 5 DDBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000496587190 307352919 /nfs/dbraw/zinc/35/29/19/307352919.db2.gz WFOPJWJRQNVLBR-ZDUSSCGKSA-N 1 2 323.349 1.963 20 5 DDBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)[nH+]c12 ZINC000531628751 307620615 /nfs/dbraw/zinc/62/06/15/307620615.db2.gz WLDXYFXXHFNSNX-UHFFFAOYSA-N 1 2 311.301 1.876 20 5 DDBDLO Cc1cnn(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000567025698 308069220 /nfs/dbraw/zinc/06/92/20/308069220.db2.gz AKWMMXQJTDRMPC-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO Cc1cc(OCC(=O)NCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000574116188 308261618 /nfs/dbraw/zinc/26/16/18/308261618.db2.gz WHFXFSHRHKTLQF-UHFFFAOYSA-N 1 2 318.333 1.374 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)c2ncccc12 ZINC000576996140 308355091 /nfs/dbraw/zinc/35/50/91/308355091.db2.gz GVSLHFHOLBRICM-UHFFFAOYSA-N 1 2 319.302 1.667 20 5 DDBDLO CC[NH+]1C[C@H](C)N(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000583153425 337247127 /nfs/dbraw/zinc/24/71/27/337247127.db2.gz MKRVYLZJMJBFBZ-QWRGUYRKSA-N 1 2 307.350 1.855 20 5 DDBDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000367437200 484536259 /nfs/dbraw/zinc/53/62/59/484536259.db2.gz VEGHQVQKUXSFGM-CHWSQXEVSA-N 1 2 306.366 1.598 20 5 DDBDLO COC(=O)Cc1ccc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000295742209 533764259 /nfs/dbraw/zinc/76/42/59/533764259.db2.gz YEZJYDMEDVOTOX-UHFFFAOYSA-N 1 2 304.306 1.656 20 5 DDBDLO Cc1cc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)[nH]n1 ZINC000331885050 534143008 /nfs/dbraw/zinc/14/30/08/534143008.db2.gz GOKPELKKDCYUBA-UHFFFAOYSA-N 1 2 304.354 1.739 20 5 DDBDLO Cc1cc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)n[nH]1 ZINC000331885050 534143015 /nfs/dbraw/zinc/14/30/15/534143015.db2.gz GOKPELKKDCYUBA-UHFFFAOYSA-N 1 2 304.354 1.739 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ncsc2C1 ZINC000446078908 534321122 /nfs/dbraw/zinc/32/11/22/534321122.db2.gz IAEWHVKVCVAZEN-UHFFFAOYSA-N 1 2 306.347 1.271 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ncsc2C1 ZINC000446078908 534321125 /nfs/dbraw/zinc/32/11/25/534321125.db2.gz IAEWHVKVCVAZEN-UHFFFAOYSA-N 1 2 306.347 1.271 20 5 DDBDLO Cn1cnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000331689311 534806724 /nfs/dbraw/zinc/80/67/24/534806724.db2.gz YGEJVFNNUDJQGG-QWRGUYRKSA-N 1 2 305.342 1.193 20 5 DDBDLO CC(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413026792 526637745 /nfs/dbraw/zinc/63/77/45/526637745.db2.gz WPJSJOLICXHMCQ-UHFFFAOYSA-N 1 2 300.318 1.812 20 5 DDBDLO C[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000336865322 536407467 /nfs/dbraw/zinc/40/74/67/536407467.db2.gz DFKVPVPOHTXURS-UHFFFAOYSA-N 1 2 315.333 1.168 20 5 DDBDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000746476621 700026547 /nfs/dbraw/zinc/02/65/47/700026547.db2.gz VTVKCEXNPSBKHH-OAQYLSRUSA-N 1 2 311.407 1.091 20 5 DDBDLO Cc1nn(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000779865443 698476528 /nfs/dbraw/zinc/47/65/28/698476528.db2.gz OAWIWVOROAZCNT-ZDUSSCGKSA-N 1 2 310.354 1.327 20 5 DDBDLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782101790 698684030 /nfs/dbraw/zinc/68/40/30/698684030.db2.gz DFTUIBWLFJSIHR-CQSZACIVSA-N 1 2 305.338 1.279 20 5 DDBDLO CC[N@H+](Cc1cn(C)nn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782101790 698684034 /nfs/dbraw/zinc/68/40/34/698684034.db2.gz DFTUIBWLFJSIHR-CQSZACIVSA-N 1 2 305.338 1.279 20 5 DDBDLO Cc1nn(CN2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000795697014 699884644 /nfs/dbraw/zinc/88/46/44/699884644.db2.gz NVRQEMNKDRIEQI-SMDDNHRTSA-N 1 2 323.397 1.161 20 5 DDBDLO COc1c(C(=O)O[C@H]2CC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000802233142 700384020 /nfs/dbraw/zinc/38/40/20/700384020.db2.gz OJIIMHSBQHCWSU-JTQLQIEISA-N 1 2 312.297 1.804 20 5 DDBDLO COc1c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000802233142 700384024 /nfs/dbraw/zinc/38/40/24/700384024.db2.gz OJIIMHSBQHCWSU-JTQLQIEISA-N 1 2 312.297 1.804 20 5 DDBDLO COC(=O)c1cc(C(=O)OCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000763114181 700926357 /nfs/dbraw/zinc/92/63/57/700926357.db2.gz FSPIEBMTFPMWSZ-UHFFFAOYSA-N 1 2 319.273 1.435 20 5 DDBDLO Cc1nn(C[N@@H+]2CCOC3(CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000768913529 701215517 /nfs/dbraw/zinc/21/55/17/701215517.db2.gz QXCHFCAEPCODPA-UHFFFAOYSA-N 1 2 324.381 1.637 20 5 DDBDLO Cc1nn(C[N@H+]2CCOC3(CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000768913529 701215519 /nfs/dbraw/zinc/21/55/19/701215519.db2.gz QXCHFCAEPCODPA-UHFFFAOYSA-N 1 2 324.381 1.637 20 5 DDBDLO C[C@H](c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000839659334 701768883 /nfs/dbraw/zinc/76/88/83/701768883.db2.gz YUOCZBUOKVVFQG-KCPJHIHWSA-N 1 2 319.361 1.684 20 5 DDBDLO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840315296 702067469 /nfs/dbraw/zinc/06/74/69/702067469.db2.gz WDWXSRAJHZGHMT-IUODEOHRSA-N 1 2 318.377 1.796 20 5 DDBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC000868699389 702274184 /nfs/dbraw/zinc/27/41/84/702274184.db2.gz UTQDKPXSIVDFJX-JTQLQIEISA-N 1 2 304.281 1.214 20 5 DDBDLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000870158448 703937603 /nfs/dbraw/zinc/93/76/03/703937603.db2.gz JWPVTEJIFUIHGR-HUUCEWRRSA-N 1 2 319.361 1.005 20 5 DDBDLO CO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853499666 704251503 /nfs/dbraw/zinc/25/15/03/704251503.db2.gz FQAWBHMZLVKDCJ-NSHDSACASA-N 1 2 303.322 1.532 20 5 DDBDLO CO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853499666 704251505 /nfs/dbraw/zinc/25/15/05/704251505.db2.gz FQAWBHMZLVKDCJ-NSHDSACASA-N 1 2 303.322 1.532 20 5 DDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821385178 704401235 /nfs/dbraw/zinc/40/12/35/704401235.db2.gz HLYYNYQFIPEDSA-UGFHNGPFSA-N 1 2 312.329 1.636 20 5 DDBDLO COc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc([N+](=O)[O-])c1C ZINC000857978715 704654000 /nfs/dbraw/zinc/65/40/00/704654000.db2.gz JEQSQFXKZRORNJ-LLVKDONJSA-N 1 2 316.317 1.983 20 5 DDBDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000864947103 706308817 /nfs/dbraw/zinc/30/88/17/706308817.db2.gz WWCCNQFXBXAVPX-OWOJBTEDSA-N 1 2 305.334 1.099 20 5 DDBDLO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880463740 706983258 /nfs/dbraw/zinc/98/32/58/706983258.db2.gz XJXAILFFZKMDAY-CQSZACIVSA-N 1 2 304.350 1.884 20 5 DDBDLO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880463740 706983259 /nfs/dbraw/zinc/98/32/59/706983259.db2.gz XJXAILFFZKMDAY-CQSZACIVSA-N 1 2 304.350 1.884 20 5 DDBDLO CCCc1[nH]nc(C(=O)OCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000837699683 707720423 /nfs/dbraw/zinc/72/04/23/707720423.db2.gz OXGBVWCCXGBFCF-UHFFFAOYSA-N 1 2 307.310 1.403 20 5 DDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000897618170 708395913 /nfs/dbraw/zinc/39/59/13/708395913.db2.gz AAYRWNPZQCBLKT-DRYSKOCLSA-N 1 2 322.386 1.584 20 5 DDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000897618170 708395917 /nfs/dbraw/zinc/39/59/17/708395917.db2.gz AAYRWNPZQCBLKT-DRYSKOCLSA-N 1 2 322.386 1.584 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000886188766 708712013 /nfs/dbraw/zinc/71/20/13/708712013.db2.gz ZZICMXSPYJTMSX-MRXNPFEDSA-N 1 2 315.329 1.750 20 5 DDBDLO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000912739711 713079487 /nfs/dbraw/zinc/07/94/87/713079487.db2.gz FNWZSRAFPHHWOZ-ZDUSSCGKSA-N 1 2 321.377 1.467 20 5 DDBDLO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000912739711 713079489 /nfs/dbraw/zinc/07/94/89/713079489.db2.gz FNWZSRAFPHHWOZ-ZDUSSCGKSA-N 1 2 321.377 1.467 20 5 DDBDLO O=C(Cc1c[nH+]c[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899941794 709244666 /nfs/dbraw/zinc/24/46/66/709244666.db2.gz KZIGLUVPFUNHSU-UHFFFAOYSA-N 1 2 315.333 1.209 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892342481 710420587 /nfs/dbraw/zinc/42/05/87/710420587.db2.gz OJGKGENUPWIDBM-QWRGUYRKSA-N 1 2 310.354 1.520 20 5 DDBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892545638 710455638 /nfs/dbraw/zinc/45/56/38/710455638.db2.gz PCRUQKAGLRWYLV-LBPRGKRZSA-N 1 2 316.365 1.607 20 5 DDBDLO O=C1OCCN1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000902165992 710643608 /nfs/dbraw/zinc/64/36/08/710643608.db2.gz QYKMLQARCNXURU-UHFFFAOYSA-N 1 2 321.333 1.848 20 5 DDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000928642444 713246955 /nfs/dbraw/zinc/24/69/55/713246955.db2.gz VMXJKERAXNDGBQ-CYBMUJFWSA-N 1 2 321.377 1.744 20 5 DDBDLO CCCC(=O)NC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000917450853 713498796 /nfs/dbraw/zinc/49/87/96/713498796.db2.gz XHPWQMQORFJXJY-UHFFFAOYSA-N 1 2 323.397 1.746 20 5 DDBDLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929338731 713592594 /nfs/dbraw/zinc/59/25/94/713592594.db2.gz LONXDZHTXHMUKX-UHFFFAOYSA-N 1 2 311.769 1.765 20 5 DDBDLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929338731 713592596 /nfs/dbraw/zinc/59/25/96/713592596.db2.gz LONXDZHTXHMUKX-UHFFFAOYSA-N 1 2 311.769 1.765 20 5 DDBDLO COC(=O)c1cc(NCc2cc[nH+]c(N)c2)cc([N+](=O)[O-])c1 ZINC001167617073 734834143 /nfs/dbraw/zinc/83/41/43/734834143.db2.gz UWOLNINSMSHTJN-UHFFFAOYSA-N 1 2 302.290 1.971 20 5 DDBDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001100734458 736498539 /nfs/dbraw/zinc/49/85/39/736498539.db2.gz DEQQVXPHAVNXGA-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)Cn1cc[nH+]c1 ZINC001105419062 741403489 /nfs/dbraw/zinc/40/34/89/741403489.db2.gz DNPPIQNUEUJHSF-UHFFFAOYSA-N 1 2 317.349 1.386 20 5 DDBDLO Cc1ccc(CC[NH+]2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001030292490 744026027 /nfs/dbraw/zinc/02/60/27/744026027.db2.gz LETYDRZFMRSAEE-HUUCEWRRSA-N 1 2 303.362 1.003 20 5 DDBDLO CCc1[nH]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c[nH+]1 ZINC001195634972 746661144 /nfs/dbraw/zinc/66/11/44/746661144.db2.gz FCSBISDYLSIXKH-UHFFFAOYSA-N 1 2 324.362 1.667 20 5 DDBDLO CCc1[nH]cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH+]1 ZINC001195634972 746661146 /nfs/dbraw/zinc/66/11/46/746661146.db2.gz FCSBISDYLSIXKH-UHFFFAOYSA-N 1 2 324.362 1.667 20 5 DDBDLO COC[C@@](C)(CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001196869999 746994887 /nfs/dbraw/zinc/99/48/87/746994887.db2.gz ZYHDLURGNWEEIX-CQSZACIVSA-N 1 2 322.321 1.132 20 5 DDBDLO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001196973127 747012217 /nfs/dbraw/zinc/01/22/17/747012217.db2.gz OEMQKSISGGRBJD-GFCCVEGCSA-N 1 2 313.379 1.238 20 5 DDBDLO NS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001196973127 747012222 /nfs/dbraw/zinc/01/22/22/747012222.db2.gz OEMQKSISGGRBJD-GFCCVEGCSA-N 1 2 313.379 1.238 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc3ccc([N+](=O)[O-])cc3n2)C[NH2+]1 ZINC001158253913 767907864 /nfs/dbraw/zinc/90/78/64/767907864.db2.gz ISJHVOMUCJMPTR-MFKMUULPSA-N 1 2 316.317 1.458 20 5 DDBDLO Cc1ccc(C[NH+]2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001042710782 764378829 /nfs/dbraw/zinc/37/88/29/764378829.db2.gz IHBNUVUISHXGNF-HZPDHXFCSA-N 1 2 317.389 1.611 20 5 DDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001170339019 766271704 /nfs/dbraw/zinc/27/17/04/766271704.db2.gz DETICHALUZQAOF-UHFFFAOYSA-N 1 2 321.293 1.512 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC001146890578 772969381 /nfs/dbraw/zinc/96/93/81/772969381.db2.gz KEDNFTHXXVSXJL-NEPJUHHUSA-N 1 2 322.365 1.137 20 5 DDBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC001146890578 772969382 /nfs/dbraw/zinc/96/93/82/772969382.db2.gz KEDNFTHXXVSXJL-NEPJUHHUSA-N 1 2 322.365 1.137 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093777026 775101277 /nfs/dbraw/zinc/10/12/77/775101277.db2.gz RODOTNQYWQHGGL-UHFFFAOYSA-N 1 2 318.337 1.101 20 5 DDBDLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC001100354076 776042873 /nfs/dbraw/zinc/04/28/73/776042873.db2.gz HMTGRETUVPZLDX-UHFFFAOYSA-N 1 2 321.312 1.252 20 5 DDBDLO CCCCC(=O)NCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001234035252 846186490 /nfs/dbraw/zinc/18/64/90/846186490.db2.gz NOVRPUKVUOUNOU-UHFFFAOYSA-N 1 2 311.386 1.457 20 5 DDBDLO CCCCC(=O)NCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001234035252 846186497 /nfs/dbraw/zinc/18/64/97/846186497.db2.gz NOVRPUKVUOUNOU-UHFFFAOYSA-N 1 2 311.386 1.457 20 5 DDBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC001160691573 866033676 /nfs/dbraw/zinc/03/36/76/866033676.db2.gz SXGQLDUSJZNEQG-JTQLQIEISA-N 1 2 323.284 1.059 20 5 DDBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335332595 868232819 /nfs/dbraw/zinc/23/28/19/868232819.db2.gz FEHCQZRSHVSTCW-LLVKDONJSA-N 1 2 312.329 1.896 20 5 DDBDLO CNc1cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc[nH+]1 ZINC001164190454 869000824 /nfs/dbraw/zinc/00/08/24/869000824.db2.gz CATDKULKVQJVEN-UHFFFAOYSA-N 1 2 302.294 1.138 20 5 DDBDLO CC(=O)c1cc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001336727477 869112379 /nfs/dbraw/zinc/11/23/79/869112379.db2.gz WLMFEQYQKCLRNX-BZNIZROVSA-N 1 2 320.393 1.844 20 5 DDBDLO CC(=O)c1cc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001336727477 869112387 /nfs/dbraw/zinc/11/23/87/869112387.db2.gz WLMFEQYQKCLRNX-BZNIZROVSA-N 1 2 320.393 1.844 20 5 DDBDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001301547088 870999346 /nfs/dbraw/zinc/99/93/46/870999346.db2.gz NCVWOTQDCTZULS-IRBQFCFKSA-N 1 2 316.317 1.191 20 5 DDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001307218808 871413305 /nfs/dbraw/zinc/41/33/05/871413305.db2.gz OWOOGPYGXWJCMK-UHFFFAOYSA-N 1 2 316.321 1.303 20 5 DDBDLO CCn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC001308575018 871512294 /nfs/dbraw/zinc/51/22/94/871512294.db2.gz WKKVLEBYWREJPY-LLVKDONJSA-N 1 2 317.353 1.288 20 5 DDBDLO CCn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC001308575018 871512324 /nfs/dbraw/zinc/51/23/24/871512324.db2.gz WKKVLEBYWREJPY-LLVKDONJSA-N 1 2 317.353 1.288 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001294520500 915193442 /nfs/dbraw/zinc/19/34/42/915193442.db2.gz RPZSYIKQTIUDFA-UHFFFAOYSA-N 1 2 306.326 1.146 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451134558 231016207 /nfs/dbraw/zinc/01/62/07/231016207.db2.gz IMICVSCTZBYBSD-UHFFFAOYSA-N 1 2 308.338 1.037 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451134558 231016209 /nfs/dbraw/zinc/01/62/09/231016209.db2.gz IMICVSCTZBYBSD-UHFFFAOYSA-N 1 2 308.338 1.037 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@](O)(C(F)F)C3)nc2c1 ZINC000451430250 231092952 /nfs/dbraw/zinc/09/29/52/231092952.db2.gz MDHHXSDDOYCBPT-CYBMUJFWSA-N 1 2 312.276 1.673 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@](O)(C(F)F)C3)nc2c1 ZINC000451430250 231092957 /nfs/dbraw/zinc/09/29/57/231092957.db2.gz MDHHXSDDOYCBPT-CYBMUJFWSA-N 1 2 312.276 1.673 20 5 DDBDLO CCc1n[nH]c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000278744815 214371208 /nfs/dbraw/zinc/37/12/08/214371208.db2.gz ZJOCFBXBUXAUFQ-SECBINFHSA-N 1 2 306.326 1.143 20 5 DDBDLO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000457212262 529883827 /nfs/dbraw/zinc/88/38/27/529883827.db2.gz XJSMJZFOSQOLKP-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO C[N@@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000457212262 529883829 /nfs/dbraw/zinc/88/38/29/529883829.db2.gz XJSMJZFOSQOLKP-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO CO[C@@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330802376 232079401 /nfs/dbraw/zinc/07/94/01/232079401.db2.gz JRBACMBSKUHDCC-JTQLQIEISA-N 1 2 313.379 1.449 20 5 DDBDLO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277234182 213384980 /nfs/dbraw/zinc/38/49/80/213384980.db2.gz OYIFEACJTCSNBO-HQHPYACNSA-N 1 2 312.391 1.471 20 5 DDBDLO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277234182 213384983 /nfs/dbraw/zinc/38/49/83/213384983.db2.gz OYIFEACJTCSNBO-HQHPYACNSA-N 1 2 312.391 1.471 20 5 DDBDLO COc1ccc(C[N@H+](C)CC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000051148556 352579374 /nfs/dbraw/zinc/57/93/74/352579374.db2.gz RQCUAENTDHEKHY-UHFFFAOYSA-N 1 2 307.350 1.658 20 5 DDBDLO COc1ccc(C[N@@H+](C)CC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000051148556 352579376 /nfs/dbraw/zinc/57/93/76/352579376.db2.gz RQCUAENTDHEKHY-UHFFFAOYSA-N 1 2 307.350 1.658 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491519573 234190466 /nfs/dbraw/zinc/19/04/66/234190466.db2.gz JOPATXHRRLVTOG-LVDDQXARSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491519573 234190471 /nfs/dbraw/zinc/19/04/71/234190471.db2.gz JOPATXHRRLVTOG-LVDDQXARSA-N 1 2 319.361 1.445 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174321407 198318934 /nfs/dbraw/zinc/31/89/34/198318934.db2.gz RZCBPIMPDDFDQT-GFCCVEGCSA-N 1 2 319.361 1.858 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])s1 ZINC000601285458 358478884 /nfs/dbraw/zinc/47/88/84/358478884.db2.gz UGDGXMQLFYNWJJ-UHFFFAOYSA-N 1 2 319.408 1.291 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])s1 ZINC000601285458 358478888 /nfs/dbraw/zinc/47/88/88/358478888.db2.gz UGDGXMQLFYNWJJ-UHFFFAOYSA-N 1 2 319.408 1.291 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000088728301 353757679 /nfs/dbraw/zinc/75/76/79/353757679.db2.gz OUDZJJPMWQMHDX-ZDUSSCGKSA-N 1 2 309.366 1.033 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000592196559 355532964 /nfs/dbraw/zinc/53/29/64/355532964.db2.gz CLCDGFZGYNCFQU-NXEZZACHSA-N 1 2 300.336 1.012 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000592196559 355532969 /nfs/dbraw/zinc/53/29/69/355532969.db2.gz CLCDGFZGYNCFQU-NXEZZACHSA-N 1 2 300.336 1.012 20 5 DDBDLO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592567907 355631871 /nfs/dbraw/zinc/63/18/71/355631871.db2.gz FDOJCWUUOLTJAO-NSHDSACASA-N 1 2 305.334 1.705 20 5 DDBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000593610676 355941946 /nfs/dbraw/zinc/94/19/46/355941946.db2.gz YZJAPLVNUQNJEX-PSASIEDQSA-N 1 2 323.334 1.171 20 5 DDBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000594956991 356363875 /nfs/dbraw/zinc/36/38/75/356363875.db2.gz LLZVKARFAFPHDE-CQSZACIVSA-N 1 2 310.350 1.832 20 5 DDBDLO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1c[nH+]c[nH]1 ZINC000595594569 356567403 /nfs/dbraw/zinc/56/74/03/356567403.db2.gz MXJWOZAUOUJSSV-UHFFFAOYSA-N 1 2 315.333 1.339 20 5 DDBDLO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1c[nH]c[nH+]1 ZINC000595594569 356567406 /nfs/dbraw/zinc/56/74/06/356567406.db2.gz MXJWOZAUOUJSSV-UHFFFAOYSA-N 1 2 315.333 1.339 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N(C)CC1 ZINC000595783179 356650832 /nfs/dbraw/zinc/65/08/32/356650832.db2.gz OEWFCUGZKSFADH-NSHDSACASA-N 1 2 320.349 1.086 20 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ZINC000598038659 357436844 /nfs/dbraw/zinc/43/68/44/357436844.db2.gz FXDUOKKFRMNXOW-LBPRGKRZSA-N 1 2 307.350 1.857 20 5 DDBDLO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@@H+](CC)C1 ZINC000598038659 357436851 /nfs/dbraw/zinc/43/68/51/357436851.db2.gz FXDUOKKFRMNXOW-LBPRGKRZSA-N 1 2 307.350 1.857 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000599161079 357833786 /nfs/dbraw/zinc/83/37/86/357833786.db2.gz RTEWXYBYQOSWSB-NSHDSACASA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000599161079 357833790 /nfs/dbraw/zinc/83/37/90/357833790.db2.gz RTEWXYBYQOSWSB-NSHDSACASA-N 1 2 302.334 1.886 20 5 DDBDLO CN1CC[N@H+](C)[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276711951 213060567 /nfs/dbraw/zinc/06/05/67/213060567.db2.gz YLWKXRMZWYBBBZ-ZDUSSCGKSA-N 1 2 315.377 1.801 20 5 DDBDLO CN1CC[N@@H+](C)[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276711951 213060570 /nfs/dbraw/zinc/06/05/70/213060570.db2.gz YLWKXRMZWYBBBZ-ZDUSSCGKSA-N 1 2 315.377 1.801 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599777588 358056436 /nfs/dbraw/zinc/05/64/36/358056436.db2.gz AERAUOSMRKNQIT-NSHDSACASA-N 1 2 324.337 1.056 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000599777588 358056441 /nfs/dbraw/zinc/05/64/41/358056441.db2.gz AERAUOSMRKNQIT-NSHDSACASA-N 1 2 324.337 1.056 20 5 DDBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000600209671 358157450 /nfs/dbraw/zinc/15/74/50/358157450.db2.gz YHNMDUCFXLXVCJ-CYBMUJFWSA-N 1 2 321.377 1.794 20 5 DDBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000600209671 358157455 /nfs/dbraw/zinc/15/74/55/358157455.db2.gz YHNMDUCFXLXVCJ-CYBMUJFWSA-N 1 2 321.377 1.794 20 5 DDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(CS(C)(=O)=O)CC1 ZINC000348068212 283352184 /nfs/dbraw/zinc/35/21/84/283352184.db2.gz GSBFVEUUGRDRNG-UHFFFAOYSA-N 1 2 312.391 1.851 20 5 DDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(CS(C)(=O)=O)CC1 ZINC000348068212 283352187 /nfs/dbraw/zinc/35/21/87/283352187.db2.gz GSBFVEUUGRDRNG-UHFFFAOYSA-N 1 2 312.391 1.851 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000348094570 283366040 /nfs/dbraw/zinc/36/60/40/283366040.db2.gz GXTXJVHUDORDPS-DTWKUNHWSA-N 1 2 319.321 1.964 20 5 DDBDLO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000602169783 358862120 /nfs/dbraw/zinc/86/21/20/358862120.db2.gz HOKOMVPMPQVRGM-TXEJJXNPSA-N 1 2 305.334 1.657 20 5 DDBDLO COc1cc(Cc2noc(Cn3cc[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC000618399629 363622360 /nfs/dbraw/zinc/62/23/60/363622360.db2.gz OELIERIHWYVDCO-UHFFFAOYSA-N 1 2 315.289 1.822 20 5 DDBDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602951932 359316897 /nfs/dbraw/zinc/31/68/97/359316897.db2.gz NQCXNWGRNPCVAL-UKRRQHHQSA-N 1 2 308.334 1.747 20 5 DDBDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602951932 359316904 /nfs/dbraw/zinc/31/69/04/359316904.db2.gz NQCXNWGRNPCVAL-UKRRQHHQSA-N 1 2 308.334 1.747 20 5 DDBDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000602901014 359281578 /nfs/dbraw/zinc/28/15/78/359281578.db2.gz YAHYIPIIODFVDG-AWEZNQCLSA-N 1 2 309.322 1.228 20 5 DDBDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000602901014 359281583 /nfs/dbraw/zinc/28/15/83/359281583.db2.gz YAHYIPIIODFVDG-AWEZNQCLSA-N 1 2 309.322 1.228 20 5 DDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029084 360258145 /nfs/dbraw/zinc/25/81/45/360258145.db2.gz HIXWLNZMTIRGRQ-UHFFFAOYSA-N 1 2 313.313 1.822 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCCn1cc[nH+]c1 ZINC000610240619 360395333 /nfs/dbraw/zinc/39/53/33/360395333.db2.gz HXPFYJSOFJEMGM-UHFFFAOYSA-N 1 2 302.334 1.930 20 5 DDBDLO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000613471831 361432463 /nfs/dbraw/zinc/43/24/63/361432463.db2.gz WQUUOEKWUYIBKX-VIFPVBQESA-N 1 2 319.408 1.337 20 5 DDBDLO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000613471831 361432466 /nfs/dbraw/zinc/43/24/66/361432466.db2.gz WQUUOEKWUYIBKX-VIFPVBQESA-N 1 2 319.408 1.337 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000194603213 201260540 /nfs/dbraw/zinc/26/05/40/201260540.db2.gz DYDGUTHWFPQSLP-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000292895994 223297356 /nfs/dbraw/zinc/29/73/56/223297356.db2.gz ZNEXOCRIBFKYSV-BPJJOFIESA-N 1 2 324.402 1.975 20 5 DDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000292895994 223297357 /nfs/dbraw/zinc/29/73/57/223297357.db2.gz ZNEXOCRIBFKYSV-BPJJOFIESA-N 1 2 324.402 1.975 20 5 DDBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000349853374 284078228 /nfs/dbraw/zinc/07/82/28/284078228.db2.gz JATDKFFOKQVXFV-UHFFFAOYSA-N 1 2 316.321 1.112 20 5 DDBDLO COC[C@@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000294045123 223834505 /nfs/dbraw/zinc/83/45/05/223834505.db2.gz YRMCVTBNLFWHNA-LBPRGKRZSA-N 1 2 316.317 1.641 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339135073 250307332 /nfs/dbraw/zinc/30/73/32/250307332.db2.gz HWWFPRPQTORLFF-UHFFFAOYSA-N 1 2 323.393 1.843 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339135073 250307336 /nfs/dbraw/zinc/30/73/36/250307336.db2.gz HWWFPRPQTORLFF-UHFFFAOYSA-N 1 2 323.393 1.843 20 5 DDBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])cn3)cn2c1 ZINC000567531983 304225605 /nfs/dbraw/zinc/22/56/05/304225605.db2.gz SOQDLACUUCHMKZ-UHFFFAOYSA-N 1 2 311.301 1.876 20 5 DDBDLO COC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413158240 533174930 /nfs/dbraw/zinc/17/49/30/533174930.db2.gz JDTIPXZRXCNSOD-CYBMUJFWSA-N 1 2 303.318 1.995 20 5 DDBDLO CCOC(=O)COCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709659 285245783 /nfs/dbraw/zinc/24/57/83/285245783.db2.gz NBDZAYONKFFNKH-UHFFFAOYSA-N 1 2 324.333 1.369 20 5 DDBDLO CCOC(=O)COCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709659 285245788 /nfs/dbraw/zinc/24/57/88/285245788.db2.gz NBDZAYONKFFNKH-UHFFFAOYSA-N 1 2 324.333 1.369 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)cc1CNCC[NH+]1CCC(O)CC1 ZINC000294873998 224279676 /nfs/dbraw/zinc/27/96/76/224279676.db2.gz PKSMANDIGJVHMV-UHFFFAOYSA-N 1 2 313.785 1.795 20 5 DDBDLO COC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000451753314 533253779 /nfs/dbraw/zinc/25/37/79/533253779.db2.gz AYMVQIJZQJZWMO-UHFFFAOYSA-N 1 2 324.333 1.285 20 5 DDBDLO CCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014252875 406874907 /nfs/dbraw/zinc/87/49/07/406874907.db2.gz YWOGRQQPVYNICH-UHFFFAOYSA-N 1 2 313.379 1.311 20 5 DDBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054987132 407192764 /nfs/dbraw/zinc/19/27/64/407192764.db2.gz JOCUPQFWPCFEQL-CQSZACIVSA-N 1 2 307.325 1.977 20 5 DDBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054987132 407192765 /nfs/dbraw/zinc/19/27/65/407192765.db2.gz JOCUPQFWPCFEQL-CQSZACIVSA-N 1 2 307.325 1.977 20 5 DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054987135 407193142 /nfs/dbraw/zinc/19/31/42/407193142.db2.gz JOCUPQFWPCFEQL-AWEZNQCLSA-N 1 2 307.325 1.977 20 5 DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054987135 407193146 /nfs/dbraw/zinc/19/31/46/407193146.db2.gz JOCUPQFWPCFEQL-AWEZNQCLSA-N 1 2 307.325 1.977 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124756738 407368610 /nfs/dbraw/zinc/36/86/10/407368610.db2.gz HLCUMQASVHVQSC-HNNXBMFYSA-N 1 2 323.349 1.389 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000124756738 407368612 /nfs/dbraw/zinc/36/86/12/407368612.db2.gz HLCUMQASVHVQSC-HNNXBMFYSA-N 1 2 323.349 1.389 20 5 DDBDLO Cc1nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273463171 408211983 /nfs/dbraw/zinc/21/19/83/408211983.db2.gz HAMOCVBMVQVERL-UHFFFAOYSA-N 1 2 300.322 1.415 20 5 DDBDLO Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000264172520 408389829 /nfs/dbraw/zinc/38/98/29/408389829.db2.gz ACGKAAKWCBAZMK-STQMWFEESA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000264181849 408391653 /nfs/dbraw/zinc/39/16/53/408391653.db2.gz BHITURQCBSGZDZ-VXGBXAGGSA-N 1 2 307.350 1.434 20 5 DDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000248986347 408671633 /nfs/dbraw/zinc/67/16/33/408671633.db2.gz JZMKPROIKUYJHD-GJZGRUSLSA-N 1 2 308.334 1.120 20 5 DDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000248986347 408671639 /nfs/dbraw/zinc/67/16/39/408671639.db2.gz JZMKPROIKUYJHD-GJZGRUSLSA-N 1 2 308.334 1.120 20 5 DDBDLO C[C@@H](N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000178259834 408794862 /nfs/dbraw/zinc/79/48/62/408794862.db2.gz WECUUISGCVHBRT-SNVBAGLBSA-N 1 2 321.303 1.360 20 5 DDBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277602211 408975421 /nfs/dbraw/zinc/97/54/21/408975421.db2.gz XPZAUOMWVFSTPS-DQCMRGAYSA-N 1 2 312.391 1.329 20 5 DDBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277602211 408975423 /nfs/dbraw/zinc/97/54/23/408975423.db2.gz XPZAUOMWVFSTPS-DQCMRGAYSA-N 1 2 312.391 1.329 20 5 DDBDLO Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000283853811 409229034 /nfs/dbraw/zinc/22/90/34/409229034.db2.gz BIUDEHZJTZISIG-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000283853811 409229036 /nfs/dbraw/zinc/22/90/36/409229036.db2.gz BIUDEHZJTZISIG-LSDHHAIUSA-N 1 2 319.361 1.448 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000318829922 164033611 /nfs/dbraw/zinc/03/36/11/164033611.db2.gz XMSDUDHCMGGFLJ-LBPRGKRZSA-N 1 2 305.334 1.611 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000318829922 164033614 /nfs/dbraw/zinc/03/36/14/164033614.db2.gz XMSDUDHCMGGFLJ-LBPRGKRZSA-N 1 2 305.334 1.611 20 5 DDBDLO Cn1c[nH+]c(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c1 ZINC000313472875 409812433 /nfs/dbraw/zinc/81/24/33/409812433.db2.gz NAFLTYBZTJOZIS-UHFFFAOYSA-N 1 2 324.362 1.386 20 5 DDBDLO COc1c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000354579698 409949865 /nfs/dbraw/zinc/94/98/65/409949865.db2.gz BJMODBUWVLBCIF-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO Cc1c(-c2noc([C@H]3C[N@H+](C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351275510 410053203 /nfs/dbraw/zinc/05/32/03/410053203.db2.gz PIMHZYMIGLMMQZ-GFCCVEGCSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1c(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)cccc1[N+](=O)[O-] ZINC000351275510 410053211 /nfs/dbraw/zinc/05/32/11/410053211.db2.gz PIMHZYMIGLMMQZ-GFCCVEGCSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298489407 410252481 /nfs/dbraw/zinc/25/24/81/410252481.db2.gz ISKCEDOXEJVIMY-NSHDSACASA-N 1 2 324.362 1.467 20 5 DDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332703963 410224683 /nfs/dbraw/zinc/22/46/83/410224683.db2.gz XNTBIMILLOHTIW-JTQLQIEISA-N 1 2 319.408 1.170 20 5 DDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332703963 410224690 /nfs/dbraw/zinc/22/46/90/410224690.db2.gz XNTBIMILLOHTIW-JTQLQIEISA-N 1 2 319.408 1.170 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000343300244 410327868 /nfs/dbraw/zinc/32/78/68/410327868.db2.gz PZEUWSPTXSZQRP-UHFFFAOYSA-N 1 2 300.278 1.135 20 5 DDBDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298211048 287158318 /nfs/dbraw/zinc/15/83/18/287158318.db2.gz ZAIUHHIIQBCAAS-LBPRGKRZSA-N 1 2 314.349 1.663 20 5 DDBDLO COC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000352186431 410529759 /nfs/dbraw/zinc/52/97/59/410529759.db2.gz LZKBXKUKBXFKCC-UHFFFAOYSA-N 1 2 318.333 1.856 20 5 DDBDLO Cn1[nH]c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1=O ZINC000347549597 410612291 /nfs/dbraw/zinc/61/22/91/410612291.db2.gz PPBSHUXOZIVLPJ-UHFFFAOYSA-N 1 2 303.322 1.181 20 5 DDBDLO Cn1[nH]c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1=O ZINC000347549597 410612295 /nfs/dbraw/zinc/61/22/95/410612295.db2.gz PPBSHUXOZIVLPJ-UHFFFAOYSA-N 1 2 303.322 1.181 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000347640393 410643963 /nfs/dbraw/zinc/64/39/63/410643963.db2.gz GKYSHUGFOJQGHM-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000347640393 410643968 /nfs/dbraw/zinc/64/39/68/410643968.db2.gz GKYSHUGFOJQGHM-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000355924341 410735956 /nfs/dbraw/zinc/73/59/56/410735956.db2.gz ZBDOFTHHXBSYOZ-SKDRFNHKSA-N 1 2 317.349 1.684 20 5 DDBDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000355924341 410735959 /nfs/dbraw/zinc/73/59/59/410735959.db2.gz ZBDOFTHHXBSYOZ-SKDRFNHKSA-N 1 2 317.349 1.684 20 5 DDBDLO Cc1nn(C)c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302856197 410877489 /nfs/dbraw/zinc/87/74/89/410877489.db2.gz LSJCJBDDDOXUOA-PHIMTYICSA-N 1 2 311.386 1.182 20 5 DDBDLO Cc1nn(C)c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302856197 410877492 /nfs/dbraw/zinc/87/74/92/410877492.db2.gz LSJCJBDDDOXUOA-PHIMTYICSA-N 1 2 311.386 1.182 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000356205381 410892934 /nfs/dbraw/zinc/89/29/34/410892934.db2.gz KVYYGTMOKUHWKA-LBPRGKRZSA-N 1 2 322.365 1.115 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000356205381 410892940 /nfs/dbraw/zinc/89/29/40/410892940.db2.gz KVYYGTMOKUHWKA-LBPRGKRZSA-N 1 2 322.365 1.115 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000348334092 410922192 /nfs/dbraw/zinc/92/21/92/410922192.db2.gz NPAZQBKXVABZOI-UHFFFAOYSA-N 1 2 301.302 1.857 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCOC2)O1 ZINC000373803672 418461443 /nfs/dbraw/zinc/46/14/43/418461443.db2.gz FAVJZPNZWXGHBT-RISCZKNCSA-N 1 2 310.354 1.098 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@]2(CCOC2)O1 ZINC000373803672 418461445 /nfs/dbraw/zinc/46/14/45/418461445.db2.gz FAVJZPNZWXGHBT-RISCZKNCSA-N 1 2 310.354 1.098 20 5 DDBDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578868 418685292 /nfs/dbraw/zinc/68/52/92/418685292.db2.gz APKYGDGROFZUQU-YPMHNXCESA-N 1 2 323.349 1.005 20 5 DDBDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578868 418685295 /nfs/dbraw/zinc/68/52/95/418685295.db2.gz APKYGDGROFZUQU-YPMHNXCESA-N 1 2 323.349 1.005 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371280447 418773935 /nfs/dbraw/zinc/77/39/35/418773935.db2.gz PUDCRMBXVGCMJN-NSHDSACASA-N 1 2 300.318 1.534 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371280447 418773938 /nfs/dbraw/zinc/77/39/38/418773938.db2.gz PUDCRMBXVGCMJN-NSHDSACASA-N 1 2 300.318 1.534 20 5 DDBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1[N+](=O)[O-] 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COC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759830293 700775930 /nfs/dbraw/zinc/77/59/30/700775930.db2.gz FCWJMNNVOOHSIB-HIFRSBDPSA-N 1 2 308.334 1.656 20 5 DDBDLO COC(=O)[C@]1(C)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759830293 700775931 /nfs/dbraw/zinc/77/59/31/700775931.db2.gz FCWJMNNVOOHSIB-HIFRSBDPSA-N 1 2 308.334 1.656 20 5 DDBDLO C[N@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000760550874 700813845 /nfs/dbraw/zinc/81/38/45/700813845.db2.gz QSWXDOLGZQWRDF-UHFFFAOYSA-N 1 2 301.297 1.551 20 5 DDBDLO C[N@@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000760550874 700813847 /nfs/dbraw/zinc/81/38/47/700813847.db2.gz QSWXDOLGZQWRDF-UHFFFAOYSA-N 1 2 301.297 1.551 20 5 DDBDLO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839826354 701840907 /nfs/dbraw/zinc/84/09/07/701840907.db2.gz SKWVRAOQFDKMQS-DGCLKSJQSA-N 1 2 323.349 1.239 20 5 DDBDLO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC000815620220 701904581 /nfs/dbraw/zinc/90/45/81/701904581.db2.gz KOBNNORZIKFWED-RKDXNWHRSA-N 1 2 317.353 1.910 20 5 DDBDLO C[N@H+](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@@H]1CCSC1 ZINC000812813907 702246576 /nfs/dbraw/zinc/24/65/76/702246576.db2.gz PZXNKAKSJIBXDD-SNVBAGLBSA-N 1 2 314.411 1.995 20 5 DDBDLO C[N@@H+](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@@H]1CCSC1 ZINC000812813907 702246577 /nfs/dbraw/zinc/24/65/77/702246577.db2.gz PZXNKAKSJIBXDD-SNVBAGLBSA-N 1 2 314.411 1.995 20 5 DDBDLO Cc1cc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000817621586 702426042 /nfs/dbraw/zinc/42/60/42/702426042.db2.gz XPBOCRYNXHZRGO-HNNXBMFYSA-N 1 2 315.329 1.956 20 5 DDBDLO CC[NH2+]Cc1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000843142797 702827909 /nfs/dbraw/zinc/82/79/09/702827909.db2.gz KJTDGHJRDADGHI-UHFFFAOYSA-N 1 2 319.321 1.060 20 5 DDBDLO COC[C@]1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000860201066 705129402 /nfs/dbraw/zinc/12/94/02/705129402.db2.gz HXIZBTRBZNGOBB-GJZGRUSLSA-N 1 2 310.350 1.366 20 5 DDBDLO COC[C@]1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000860201066 705129406 /nfs/dbraw/zinc/12/94/06/705129406.db2.gz HXIZBTRBZNGOBB-GJZGRUSLSA-N 1 2 310.350 1.366 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874896131 705221635 /nfs/dbraw/zinc/22/16/35/705221635.db2.gz JRFZXSHIJMKKQU-ZDUSSCGKSA-N 1 2 318.308 1.849 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825113037 705602535 /nfs/dbraw/zinc/60/25/35/705602535.db2.gz YHODLMQIYNPVIH-ZWNOBZJWSA-N 1 2 304.306 1.030 20 5 DDBDLO CCCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC ZINC000877360088 706080248 /nfs/dbraw/zinc/08/02/48/706080248.db2.gz WBPIFJYHTHFZDQ-GCZXYKMCSA-N 1 2 310.354 1.816 20 5 DDBDLO CCO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000902527586 710783007 /nfs/dbraw/zinc/78/30/07/710783007.db2.gz JLQIANXXILJBLE-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO CCO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000902527586 710783010 /nfs/dbraw/zinc/78/30/10/710783010.db2.gz JLQIANXXILJBLE-LBPRGKRZSA-N 1 2 317.349 1.922 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000894428480 711117557 /nfs/dbraw/zinc/11/75/57/711117557.db2.gz WXQBYQSNZQCMIF-SDDRHHMPSA-N 1 2 324.381 1.908 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000894428480 711117561 /nfs/dbraw/zinc/11/75/61/711117561.db2.gz WXQBYQSNZQCMIF-SDDRHHMPSA-N 1 2 324.381 1.908 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000894520821 711161395 /nfs/dbraw/zinc/16/13/95/711161395.db2.gz GCEVJIPVHXOGLZ-WDEREUQCSA-N 1 2 310.354 1.520 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000894520821 711161398 /nfs/dbraw/zinc/16/13/98/711161398.db2.gz GCEVJIPVHXOGLZ-WDEREUQCSA-N 1 2 310.354 1.520 20 5 DDBDLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913712913 713288374 /nfs/dbraw/zinc/28/83/74/713288374.db2.gz ZOPLVSCBPQCSBJ-CHWSQXEVSA-N 1 2 300.318 1.332 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH+]cn1C ZINC000908278263 712726795 /nfs/dbraw/zinc/72/67/95/712726795.db2.gz FMBDQUKOJZISFB-UHFFFAOYSA-N 1 2 304.306 1.908 20 5 DDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000915355486 713416757 /nfs/dbraw/zinc/41/67/57/713416757.db2.gz UTUFRVQJAYKZRJ-LBPRGKRZSA-N 1 2 304.306 1.678 20 5 DDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C1(O)CCC1 ZINC000929864107 713709361 /nfs/dbraw/zinc/70/93/61/713709361.db2.gz UAQOMIUGMBDDJG-CYBMUJFWSA-N 1 2 314.769 1.956 20 5 DDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C1(O)CCC1 ZINC000929864107 713709362 /nfs/dbraw/zinc/70/93/62/713709362.db2.gz UAQOMIUGMBDDJG-CYBMUJFWSA-N 1 2 314.769 1.956 20 5 DDBDLO CN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001100354150 738999351 /nfs/dbraw/zinc/99/93/51/738999351.db2.gz MCQZGHZAEPSZPH-UHFFFAOYSA-N 1 2 321.312 1.252 20 5 DDBDLO O=[N+]([O-])c1c(Cl)ncnc1NCC1([NH+]2CCCC2)COC1 ZINC001168441664 744872688 /nfs/dbraw/zinc/87/26/88/744872688.db2.gz BNNMUGIHEPEZSX-UHFFFAOYSA-N 1 2 313.745 1.315 20 5 DDBDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996107 762169231 /nfs/dbraw/zinc/16/92/31/762169231.db2.gz VGVNCIYQAIOXES-BPLDGKMQSA-N 1 2 324.352 1.945 20 5 DDBDLO O=C(CCc1[nH]cc[nH+]1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093582272 774858743 /nfs/dbraw/zinc/85/87/43/774858743.db2.gz PNSPKYNDFHOLKT-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)Cn2cc[nH+]c2)c1 ZINC001093700879 775021031 /nfs/dbraw/zinc/02/10/31/775021031.db2.gz AHKWGAMRUBHDBD-UHFFFAOYSA-N 1 2 303.322 1.328 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001094224990 775594181 /nfs/dbraw/zinc/59/41/81/775594181.db2.gz KRGGJWZWEXZDNL-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001094224990 775594189 /nfs/dbraw/zinc/59/41/89/775594189.db2.gz KRGGJWZWEXZDNL-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO COC[C@](C)(CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001175284318 777731434 /nfs/dbraw/zinc/73/14/34/777731434.db2.gz IZBHRGTZZTUIIZ-AWEZNQCLSA-N 1 2 322.321 1.132 20 5 DDBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330167999 864121523 /nfs/dbraw/zinc/12/15/23/864121523.db2.gz ZSYLYZDUGIPNES-LBPRGKRZSA-N 1 2 312.329 1.896 20 5 DDBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001159294176 865206602 /nfs/dbraw/zinc/20/66/02/865206602.db2.gz WVKBSUSUAWHAOZ-UHFFFAOYSA-N 1 2 314.305 1.239 20 5 DDBDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001160690792 866029522 /nfs/dbraw/zinc/02/95/22/866029522.db2.gz IAUOOTLYZLFCTI-LLVKDONJSA-N 1 2 319.321 1.228 20 5 DDBDLO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162694135 867742474 /nfs/dbraw/zinc/74/24/74/867742474.db2.gz MNPXBYUVJYYEEF-LLVKDONJSA-N 1 2 323.349 1.432 20 5 DDBDLO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162694135 867742485 /nfs/dbraw/zinc/74/24/85/867742485.db2.gz MNPXBYUVJYYEEF-LLVKDONJSA-N 1 2 323.349 1.432 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[NH2+]1 ZINC001164302321 869103424 /nfs/dbraw/zinc/10/34/24/869103424.db2.gz QUYLASRYPUULAC-CABZTGNLSA-N 1 2 316.317 1.458 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C ZINC001224330585 881332374 /nfs/dbraw/zinc/33/23/74/881332374.db2.gz HROOYCUZAMNIKA-KGLIPLIRSA-N 1 2 308.334 1.400 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C ZINC001224330585 881332391 /nfs/dbraw/zinc/33/23/91/881332391.db2.gz HROOYCUZAMNIKA-KGLIPLIRSA-N 1 2 308.334 1.400 20 5 DDBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3[nH]cc([N+](=O)[O-])c4ncnc3-4)[C@H]1CC(=O)C2 ZINC001227691481 883134063 /nfs/dbraw/zinc/13/40/63/883134063.db2.gz OZCVOZBHQGJMRE-NMLBEHRDSA-N 1 2 317.305 1.049 20 5 DDBDLO C[N@H+]1[C@@H]2C[C@H](Oc3[nH]cc([N+](=O)[O-])c4ncnc3-4)[C@H]1CC(=O)C2 ZINC001227691481 883134067 /nfs/dbraw/zinc/13/40/67/883134067.db2.gz OZCVOZBHQGJMRE-NMLBEHRDSA-N 1 2 317.305 1.049 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228602782 883569066 /nfs/dbraw/zinc/56/90/66/883569066.db2.gz FLFWRVYDXQUXSU-SECBINFHSA-N 1 2 324.337 1.067 20 5 DDBDLO C[N@@H+]1CCO[C@H](COc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007199 883770062 /nfs/dbraw/zinc/77/00/62/883770062.db2.gz GVELJQSWCIPKBQ-ZDUSSCGKSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@H+]1CCO[C@H](COc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007199 883770073 /nfs/dbraw/zinc/77/00/73/883770073.db2.gz GVELJQSWCIPKBQ-ZDUSSCGKSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@@H+]1CCO[C@H](COc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231155883 885302785 /nfs/dbraw/zinc/30/27/85/885302785.db2.gz FMRNUMPUWZNRMN-ZDUSSCGKSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@H+]1CCO[C@H](COc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231155883 885302801 /nfs/dbraw/zinc/30/28/01/885302801.db2.gz FMRNUMPUWZNRMN-ZDUSSCGKSA-N 1 2 303.318 1.852 20 5 DDBDLO COC(=O)c1cnc(OC2C[NH+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001233859647 887397312 /nfs/dbraw/zinc/39/73/12/887397312.db2.gz PLORCWMPLRGMKE-UHFFFAOYSA-N 1 2 309.322 1.638 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000492141741 529785352 /nfs/dbraw/zinc/78/53/52/529785352.db2.gz BWHGJLZFLXUGCH-RWCKICOTSA-N 1 2 317.345 1.149 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000492141741 529785353 /nfs/dbraw/zinc/78/53/53/529785353.db2.gz BWHGJLZFLXUGCH-RWCKICOTSA-N 1 2 317.345 1.149 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c(F)c1 ZINC000084015274 192395644 /nfs/dbraw/zinc/39/56/44/192395644.db2.gz SWJCQCLDSHLOGZ-UHFFFAOYSA-N 1 2 323.305 1.880 20 5 DDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029908051 352246358 /nfs/dbraw/zinc/24/63/58/352246358.db2.gz HTNINLGGIVNPFT-UHFFFAOYSA-N 1 2 312.289 1.616 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000032539700 352281194 /nfs/dbraw/zinc/28/11/94/352281194.db2.gz SLDSNYWBVCNHAB-UHFFFAOYSA-N 1 2 317.349 1.707 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000032539700 352281196 /nfs/dbraw/zinc/28/11/96/352281196.db2.gz SLDSNYWBVCNHAB-UHFFFAOYSA-N 1 2 317.349 1.707 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000047297110 352489638 /nfs/dbraw/zinc/48/96/38/352489638.db2.gz PCFGXRMGCILREN-CABCVRRESA-N 1 2 321.352 1.525 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000047297110 352489641 /nfs/dbraw/zinc/48/96/41/352489641.db2.gz PCFGXRMGCILREN-CABCVRRESA-N 1 2 321.352 1.525 20 5 DDBDLO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])CN1 ZINC000331882812 234233456 /nfs/dbraw/zinc/23/34/56/234233456.db2.gz ISPSEKMHFLGVMY-SMDDNHRTSA-N 1 2 319.361 1.791 20 5 DDBDLO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])CN1 ZINC000331882812 234233458 /nfs/dbraw/zinc/23/34/58/234233458.db2.gz ISPSEKMHFLGVMY-SMDDNHRTSA-N 1 2 319.361 1.791 20 5 DDBDLO Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ncc1[N+](=O)[O-] ZINC000074766733 353329597 /nfs/dbraw/zinc/32/95/97/353329597.db2.gz RSEHYSHNALCHBV-NSHDSACASA-N 1 2 321.406 1.912 20 5 DDBDLO Nc1c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000587035933 354878348 /nfs/dbraw/zinc/87/83/48/354878348.db2.gz BAFBPKWPFRLHMG-VIFPVBQESA-N 1 2 301.306 1.118 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587045500 354879129 /nfs/dbraw/zinc/87/91/29/354879129.db2.gz SGPHWWDTULAAGR-NSHDSACASA-N 1 2 316.317 1.301 20 5 DDBDLO CCC[N@H+](CC(=O)NC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497301 354997199 /nfs/dbraw/zinc/99/71/99/354997199.db2.gz NDZJKVQQQMJPFP-UHFFFAOYSA-N 1 2 323.349 1.339 20 5 DDBDLO CCC[N@@H+](CC(=O)NC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497301 354997201 /nfs/dbraw/zinc/99/72/01/354997201.db2.gz NDZJKVQQQMJPFP-UHFFFAOYSA-N 1 2 323.349 1.339 20 5 DDBDLO C[C@H]1C[N@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CCO1 ZINC000589861947 355027725 /nfs/dbraw/zinc/02/77/25/355027725.db2.gz ZMVGAMISVAUNPS-LBPRGKRZSA-N 1 2 316.361 1.698 20 5 DDBDLO C[C@H]1C[N@@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CCO1 ZINC000589861947 355027728 /nfs/dbraw/zinc/02/77/28/355027728.db2.gz ZMVGAMISVAUNPS-LBPRGKRZSA-N 1 2 316.361 1.698 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000590599107 355126300 /nfs/dbraw/zinc/12/63/00/355126300.db2.gz HSGCGMBDJVUBLR-CYBMUJFWSA-N 1 2 318.333 1.047 20 5 DDBDLO Cc1cc(N[C@H](CO)CCF)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593510084 355909280 /nfs/dbraw/zinc/90/92/80/355909280.db2.gz SNXHTPSHOXVWHW-LBPRGKRZSA-N 1 2 320.324 1.915 20 5 DDBDLO CC(C)(C)OC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000594050742 356099842 /nfs/dbraw/zinc/09/98/42/356099842.db2.gz DNUOCGPDSSIBJX-UHFFFAOYSA-N 1 2 324.381 1.988 20 5 DDBDLO CC(C)(C)OC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000594050742 356099844 /nfs/dbraw/zinc/09/98/44/356099844.db2.gz DNUOCGPDSSIBJX-UHFFFAOYSA-N 1 2 324.381 1.988 20 5 DDBDLO CCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])nn1 ZINC000594972068 356365802 /nfs/dbraw/zinc/36/58/02/356365802.db2.gz XKUXNMBCZINOQN-UHFFFAOYSA-N 1 2 321.337 1.513 20 5 DDBDLO Cn1ccnc1[C@H]([NH2+]C/C=C/CO)c1ccc([N+](=O)[O-])cc1 ZINC000595068540 356377991 /nfs/dbraw/zinc/37/79/91/356377991.db2.gz ITARCYDTDAHASJ-BAABZTOOSA-N 1 2 302.334 1.556 20 5 DDBDLO NC(=O)c1csc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000595083564 356379628 /nfs/dbraw/zinc/37/96/28/356379628.db2.gz AUSKLZURFOLUGJ-JTQLQIEISA-N 1 2 318.358 1.927 20 5 DDBDLO COC(=O)C12CC(C1)C[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000595677648 356606088 /nfs/dbraw/zinc/60/60/88/356606088.db2.gz JBSIEUYKHDZKKH-UHFFFAOYSA-N 1 2 306.318 1.611 20 5 DDBDLO COC(=O)C12CC(C1)C[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000595677648 356606091 /nfs/dbraw/zinc/60/60/91/356606091.db2.gz JBSIEUYKHDZKKH-UHFFFAOYSA-N 1 2 306.318 1.611 20 5 DDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595823078 356664842 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CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000597860990 357362700 /nfs/dbraw/zinc/36/27/00/357362700.db2.gz QVVPMDQTXQBVIX-SNVBAGLBSA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000597860990 357362704 /nfs/dbraw/zinc/36/27/04/357362704.db2.gz QVVPMDQTXQBVIX-SNVBAGLBSA-N 1 2 307.350 1.903 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597999250 357415646 /nfs/dbraw/zinc/41/56/46/357415646.db2.gz RLXLASZKLUGEJQ-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597999250 357415649 /nfs/dbraw/zinc/41/56/49/357415649.db2.gz RLXLASZKLUGEJQ-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO O=C(NCCOCCF)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598561552 357633020 /nfs/dbraw/zinc/63/30/20/357633020.db2.gz SOGWDXBDDXHZME-UHFFFAOYSA-N 1 2 322.296 1.496 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000599159430 357832878 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COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350150689 284158954 /nfs/dbraw/zinc/15/89/54/284158954.db2.gz CRGGEQQOLYHTCG-AWEZNQCLSA-N 1 2 318.333 1.637 20 5 DDBDLO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000267558126 206143760 /nfs/dbraw/zinc/14/37/60/206143760.db2.gz ABJBLEFODYHPGX-LRDDRELGSA-N 1 2 323.368 1.886 20 5 DDBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126136590 284505025 /nfs/dbraw/zinc/50/50/25/284505025.db2.gz OFRKAVODFHGGFO-GFCCVEGCSA-N 1 2 312.329 1.943 20 5 DDBDLO O=[N+]([O-])c1cccc2c(NCC[NH+]3CCOCC3)ccnc21 ZINC000336861301 249269332 /nfs/dbraw/zinc/26/93/32/249269332.db2.gz ZASBUXQIBKYCGX-UHFFFAOYSA-N 1 2 302.334 1.887 20 5 DDBDLO Cn1cc[nH+]c1[C@H](Nc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000284448727 218032851 /nfs/dbraw/zinc/03/28/51/218032851.db2.gz BCVNILDCSLURSZ-LLVKDONJSA-N 1 2 320.353 1.642 20 5 DDBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000339195259 250337888 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DDBDLO NC(=O)c1ccc(C[N@H+]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000154205342 407992526 /nfs/dbraw/zinc/99/25/26/407992526.db2.gz UNSIVXSCMZLPHQ-UHFFFAOYSA-N 1 2 305.334 1.449 20 5 DDBDLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000263013386 408001643 /nfs/dbraw/zinc/00/16/43/408001643.db2.gz PZLDRNINYXXMBB-GFCCVEGCSA-N 1 2 311.288 1.477 20 5 DDBDLO O=C(Nc1cnns1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189586043 408060334 /nfs/dbraw/zinc/06/03/34/408060334.db2.gz ATHHPZYRQNMEBV-UHFFFAOYSA-N 1 2 316.302 1.884 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269342430 408276817 /nfs/dbraw/zinc/27/68/17/408276817.db2.gz PMJAZXLHMNWPDS-UHFFFAOYSA-N 1 2 306.326 1.458 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265628592 408719182 /nfs/dbraw/zinc/71/91/82/408719182.db2.gz DNYNDRBTWLAJLD-ZDUSSCGKSA-N 1 2 320.349 1.004 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265628592 408719187 /nfs/dbraw/zinc/71/91/87/408719187.db2.gz DNYNDRBTWLAJLD-ZDUSSCGKSA-N 1 2 320.349 1.004 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000184741543 408679780 /nfs/dbraw/zinc/67/97/80/408679780.db2.gz YTJPPQUBZLSXBV-GFCCVEGCSA-N 1 2 305.334 1.611 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276021674 408752552 /nfs/dbraw/zinc/75/25/52/408752552.db2.gz BJZJLEFDNPLMEM-SNVBAGLBSA-N 1 2 324.362 1.695 20 5 DDBDLO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280865508 408848900 /nfs/dbraw/zinc/84/89/00/408848900.db2.gz DSTRVFWHOLWLGO-SNVBAGLBSA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280865508 408848901 /nfs/dbraw/zinc/84/89/01/408848901.db2.gz DSTRVFWHOLWLGO-SNVBAGLBSA-N 1 2 305.334 1.515 20 5 DDBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286056285 408915920 /nfs/dbraw/zinc/91/59/20/408915920.db2.gz ULAXBABWWMPEBL-NSHDSACASA-N 1 2 318.337 1.902 20 5 DDBDLO CC(C)c1nnc2n1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]2C ZINC000189565223 163106336 /nfs/dbraw/zinc/10/63/36/163106336.db2.gz KHNAPDYMXNIRNF-NSHDSACASA-N 1 2 319.369 1.583 20 5 DDBDLO CC(C)c1nnc2n1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]2C ZINC000189565223 163106338 /nfs/dbraw/zinc/10/63/38/163106338.db2.gz KHNAPDYMXNIRNF-NSHDSACASA-N 1 2 319.369 1.583 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000292182437 408997021 /nfs/dbraw/zinc/99/70/21/408997021.db2.gz YHQNOFZPKHKETQ-UHFFFAOYSA-N 1 2 316.317 1.846 20 5 DDBDLO CCc1nn(C)c(SCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000288086229 409143702 /nfs/dbraw/zinc/14/37/02/409143702.db2.gz IGVBMLWMCOBIQP-UHFFFAOYSA-N 1 2 300.384 1.315 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284113181 409278419 /nfs/dbraw/zinc/27/84/19/409278419.db2.gz OIPUYEGUXPGFAP-GJZGRUSLSA-N 1 2 319.361 1.069 20 5 DDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000284113181 409278421 /nfs/dbraw/zinc/27/84/21/409278421.db2.gz OIPUYEGUXPGFAP-GJZGRUSLSA-N 1 2 319.361 1.069 20 5 DDBDLO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccon1 ZINC000349242312 409760614 /nfs/dbraw/zinc/76/06/14/409760614.db2.gz OUKCXOIFKHYLHX-JTQLQIEISA-N 1 2 316.317 1.823 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357319283 409973437 /nfs/dbraw/zinc/97/34/37/409973437.db2.gz BBMKFKLKZLIYLI-NSHDSACASA-N 1 2 317.349 1.671 20 5 DDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343083588 410131755 /nfs/dbraw/zinc/13/17/55/410131755.db2.gz ZIKAAWHMAURARZ-UHFFFAOYSA-N 1 2 303.322 1.324 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000339469921 410212373 /nfs/dbraw/zinc/21/23/73/410212373.db2.gz HNGRBSXAGIVPGF-JTQLQIEISA-N 1 2 303.322 1.297 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000298477805 410249507 /nfs/dbraw/zinc/24/95/07/410249507.db2.gz FASBOAYNXLXYFE-JTQLQIEISA-N 1 2 310.335 1.158 20 5 DDBDLO Nc1nc(NCc2cn3cc(Cl)ccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000301101147 410655600 /nfs/dbraw/zinc/65/56/00/410655600.db2.gz LQNYTUXTOORGGY-UHFFFAOYSA-N 1 2 319.712 1.880 20 5 DDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)no1 ZINC000337699186 410951577 /nfs/dbraw/zinc/95/15/77/410951577.db2.gz VJVGIAAZCOWWHA-UHFFFAOYSA-N 1 2 322.325 1.033 20 5 DDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCn2c[nH+]cc2C1 ZINC000366738267 418510949 /nfs/dbraw/zinc/51/09/49/418510949.db2.gz LCCGBKFSBMIMSS-ZDUSSCGKSA-N 1 2 314.345 1.713 20 5 DDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367070861 418557374 /nfs/dbraw/zinc/55/73/74/418557374.db2.gz HMBHGSBKPURJOH-OAHLLOKOSA-N 1 2 312.329 1.777 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189839477 222059053 /nfs/dbraw/zinc/05/90/53/222059053.db2.gz ZVTDGZMWPWKRLX-CQSZACIVSA-N 1 2 321.377 1.820 20 5 DDBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189839477 222059056 /nfs/dbraw/zinc/05/90/56/222059056.db2.gz ZVTDGZMWPWKRLX-CQSZACIVSA-N 1 2 321.377 1.820 20 5 DDBDLO COCC[C@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000291296344 222293269 /nfs/dbraw/zinc/29/32/69/222293269.db2.gz RTDATBAAZFZMBM-ZDUSSCGKSA-N 1 2 310.350 1.711 20 5 DDBDLO COCC[C@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000291296344 222293272 /nfs/dbraw/zinc/29/32/72/222293272.db2.gz RTDATBAAZFZMBM-ZDUSSCGKSA-N 1 2 310.350 1.711 20 5 DDBDLO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000367648208 418619276 /nfs/dbraw/zinc/61/92/76/418619276.db2.gz GGNKNGMSZAKUOD-HIFRSBDPSA-N 1 2 305.334 1.644 20 5 DDBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367730820 418628726 /nfs/dbraw/zinc/62/87/26/418628726.db2.gz ULISASVYSVXRAP-UHFFFAOYSA-N 1 2 322.365 1.252 20 5 DDBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367730820 418628728 /nfs/dbraw/zinc/62/87/28/418628728.db2.gz ULISASVYSVXRAP-UHFFFAOYSA-N 1 2 322.365 1.252 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000364745626 418806836 /nfs/dbraw/zinc/80/68/36/418806836.db2.gz ZFIGBSYMLCKTMD-LLVKDONJSA-N 1 2 300.318 1.845 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411955218 419518336 /nfs/dbraw/zinc/51/83/36/419518336.db2.gz VJYPDFKTWXEUCN-CHWSQXEVSA-N 1 2 302.334 1.636 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411955218 419518345 /nfs/dbraw/zinc/51/83/45/419518345.db2.gz VJYPDFKTWXEUCN-CHWSQXEVSA-N 1 2 302.334 1.636 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000299660073 229309818 /nfs/dbraw/zinc/30/98/18/229309818.db2.gz QKALCMRYFGATJX-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO CCCC[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444583757 420758405 /nfs/dbraw/zinc/75/84/05/420758405.db2.gz PSACNCCZMIWULZ-UHFFFAOYSA-N 1 2 305.338 1.559 20 5 DDBDLO CCCC[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444583757 420758407 /nfs/dbraw/zinc/75/84/07/420758407.db2.gz PSACNCCZMIWULZ-UHFFFAOYSA-N 1 2 305.338 1.559 20 5 DDBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459803290 420877514 /nfs/dbraw/zinc/87/75/14/420877514.db2.gz ZGWCGLKMKJLQHF-SNVBAGLBSA-N 1 2 303.322 1.618 20 5 DDBDLO CNc1nc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000456028526 421091045 /nfs/dbraw/zinc/09/10/45/421091045.db2.gz ZHOGICTXPFKZNH-JTQLQIEISA-N 1 2 316.321 1.732 20 5 DDBDLO Cc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000456216964 421124368 /nfs/dbraw/zinc/12/43/68/421124368.db2.gz PBDXDSQIENFPEU-OKILXGFUSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000456216964 421124373 /nfs/dbraw/zinc/12/43/73/421124373.db2.gz PBDXDSQIENFPEU-OKILXGFUSA-N 1 2 319.361 1.496 20 5 DDBDLO CCc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530595194 421609593 /nfs/dbraw/zinc/60/95/93/421609593.db2.gz RGUMCUTUJUKNEW-LBPRGKRZSA-N 1 2 321.377 1.608 20 5 DDBDLO CCc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530595194 421609597 /nfs/dbraw/zinc/60/95/97/421609597.db2.gz RGUMCUTUJUKNEW-LBPRGKRZSA-N 1 2 321.377 1.608 20 5 DDBDLO CCc1ccc(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000520611674 421759230 /nfs/dbraw/zinc/75/92/30/421759230.db2.gz RIDHEDCWTSTJEO-UHFFFAOYSA-N 1 2 324.362 1.701 20 5 DDBDLO CCc1ccc(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000520611674 421759232 /nfs/dbraw/zinc/75/92/32/421759232.db2.gz RIDHEDCWTSTJEO-UHFFFAOYSA-N 1 2 324.362 1.701 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000520777391 421762628 /nfs/dbraw/zinc/76/26/28/421762628.db2.gz JOCVQUSCWQUFPB-LBPRGKRZSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000520777391 421762630 /nfs/dbraw/zinc/76/26/30/421762630.db2.gz JOCVQUSCWQUFPB-LBPRGKRZSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CC(C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000583497419 422174412 /nfs/dbraw/zinc/17/44/12/422174412.db2.gz NFFWMRRNYNGFIH-JTQLQIEISA-N 1 2 320.349 1.037 20 5 DDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000345378953 272235208 /nfs/dbraw/zinc/23/52/08/272235208.db2.gz HRRUKXXKTAHYJW-UHFFFAOYSA-N 1 2 324.381 1.116 20 5 DDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000345378953 272235210 /nfs/dbraw/zinc/23/52/10/272235210.db2.gz HRRUKXXKTAHYJW-UHFFFAOYSA-N 1 2 324.381 1.116 20 5 DDBDLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000272515173 290230580 /nfs/dbraw/zinc/23/05/80/290230580.db2.gz YDDFSEMUUHELSZ-GWCFXTLKSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000272515173 290230581 /nfs/dbraw/zinc/23/05/81/290230581.db2.gz YDDFSEMUUHELSZ-GWCFXTLKSA-N 1 2 305.334 1.467 20 5 DDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCc1[nH]cc[nH+]1 ZINC000362766167 300134916 /nfs/dbraw/zinc/13/49/16/300134916.db2.gz OTXUFHLQCRDRCA-UHFFFAOYSA-N 1 2 310.260 1.498 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC000396810030 302350026 /nfs/dbraw/zinc/35/00/26/302350026.db2.gz BJVZRJRIKICNMF-ZWNOBZJWSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC000396810030 302350029 /nfs/dbraw/zinc/35/00/29/302350029.db2.gz BJVZRJRIKICNMF-ZWNOBZJWSA-N 1 2 300.742 1.423 20 5 DDBDLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1OC ZINC000357180001 306872640 /nfs/dbraw/zinc/87/26/40/306872640.db2.gz BGTOONZDBIIZCT-UHFFFAOYSA-N 1 2 306.278 1.265 20 5 DDBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1n1cc[nH+]c1 ZINC000531841157 303260923 /nfs/dbraw/zinc/26/09/23/303260923.db2.gz IHCBZYQFLNXWFX-BXUZGUMPSA-N 1 2 317.349 1.853 20 5 DDBDLO C[C@H](O)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000360109372 306973696 /nfs/dbraw/zinc/97/36/96/306973696.db2.gz FZKNFSAGBSSLAU-LBPRGKRZSA-N 1 2 309.366 1.244 20 5 DDBDLO Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000371273423 307146233 /nfs/dbraw/zinc/14/62/33/307146233.db2.gz NTCTZDHGXROGKL-NSHDSACASA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000371273423 307146234 /nfs/dbraw/zinc/14/62/34/307146234.db2.gz NTCTZDHGXROGKL-NSHDSACASA-N 1 2 300.318 1.914 20 5 DDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375506854 307227172 /nfs/dbraw/zinc/22/71/72/307227172.db2.gz MADXIUJLHGURHY-WFBYXXMGSA-N 1 2 307.325 1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375506854 307227173 /nfs/dbraw/zinc/22/71/73/307227173.db2.gz MADXIUJLHGURHY-WFBYXXMGSA-N 1 2 307.325 1.820 20 5 DDBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375935796 307234211 /nfs/dbraw/zinc/23/42/11/307234211.db2.gz XHPZFPHBCCRMQH-GTJPDFRWSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375935796 307234212 /nfs/dbraw/zinc/23/42/12/307234212.db2.gz 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DDBDLO CC(C)(C)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001319941671 866394699 /nfs/dbraw/zinc/39/46/99/866394699.db2.gz MKWXFVUCGAIROD-UHFFFAOYSA-N 1 2 307.350 1.857 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC001320048176 866446818 /nfs/dbraw/zinc/44/68/18/866446818.db2.gz VROVXYSMOKOSOQ-UHFFFAOYSA-N 1 2 310.745 1.936 20 5 DDBDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001161950568 867133365 /nfs/dbraw/zinc/13/33/65/867133365.db2.gz QMVSBOKKWZITHC-MRVPVSSYSA-N 1 2 302.718 1.254 20 5 DDBDLO COc1cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC001162850049 867869024 /nfs/dbraw/zinc/86/90/24/867869024.db2.gz RWPIFYXUXQMWMR-QMMMGPOBSA-N 1 2 312.326 1.079 20 5 DDBDLO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2C[NH2+]CCC[C@H]2F)[nH]1 ZINC001217978954 877362528 /nfs/dbraw/zinc/36/25/28/877362528.db2.gz DQMCSRMCIBTDMU-ZYHUDNBSSA-N 1 2 322.296 1.713 20 5 DDBDLO COc1cc(C(=O)NCCc2[nH+]ccn2C)c([N+](=O)[O-])cc1F ZINC001263926690 900822071 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DDBDLO C[N@H+](CCOCC1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000088598828 185258971 /nfs/dbraw/zinc/25/89/71/185258971.db2.gz AXGPZQDNTCBLAN-UHFFFAOYSA-N 1 2 307.350 1.892 20 5 DDBDLO C[N@@H+](CCOCC1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000088598828 185258972 /nfs/dbraw/zinc/25/89/72/185258972.db2.gz AXGPZQDNTCBLAN-UHFFFAOYSA-N 1 2 307.350 1.892 20 5 DDBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494628734 529888923 /nfs/dbraw/zinc/88/89/23/529888923.db2.gz JONPYJDCFUCJOO-SECBINFHSA-N 1 2 312.757 1.752 20 5 DDBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494628734 529888924 /nfs/dbraw/zinc/88/89/24/529888924.db2.gz JONPYJDCFUCJOO-SECBINFHSA-N 1 2 312.757 1.752 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433056131 529974901 /nfs/dbraw/zinc/97/49/01/529974901.db2.gz CLPSCFAKPIPXSP-ZDUSSCGKSA-N 1 2 304.350 1.364 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433056131 529974903 /nfs/dbraw/zinc/97/49/03/529974903.db2.gz CLPSCFAKPIPXSP-ZDUSSCGKSA-N 1 2 304.350 1.364 20 5 DDBDLO NC(=O)N1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083688646 192378309 /nfs/dbraw/zinc/37/83/09/192378309.db2.gz DCBMABXFKSXIJZ-UHFFFAOYSA-N 1 2 319.321 1.322 20 5 DDBDLO NC(=O)N1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083688646 192378311 /nfs/dbraw/zinc/37/83/11/192378311.db2.gz DCBMABXFKSXIJZ-UHFFFAOYSA-N 1 2 319.321 1.322 20 5 DDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000331388192 233270760 /nfs/dbraw/zinc/27/07/60/233270760.db2.gz LOHJZWRIUQKOJC-SNVBAGLBSA-N 1 2 318.337 1.146 20 5 DDBDLO Cc1c(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000266849641 186358843 /nfs/dbraw/zinc/35/88/43/186358843.db2.gz CCOMCLCAYXYKEH-UHFFFAOYSA-N 1 2 320.393 1.285 20 5 DDBDLO Cc1c(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000266849641 186358845 /nfs/dbraw/zinc/35/88/45/186358845.db2.gz CCOMCLCAYXYKEH-UHFFFAOYSA-N 1 2 320.393 1.285 20 5 DDBDLO O=C(C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063512620 352915231 /nfs/dbraw/zinc/91/52/31/352915231.db2.gz KNDLZGBMBWBEGR-SNVBAGLBSA-N 1 2 313.741 1.643 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063512620 352915234 /nfs/dbraw/zinc/91/52/34/352915234.db2.gz KNDLZGBMBWBEGR-SNVBAGLBSA-N 1 2 313.741 1.643 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724693 353065043 /nfs/dbraw/zinc/06/50/43/353065043.db2.gz HCJNNFGWKOTOEP-LBPRGKRZSA-N 1 2 322.365 1.115 20 5 DDBDLO COc1ccc(CC(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000067793257 353067902 /nfs/dbraw/zinc/06/79/02/353067902.db2.gz YLYGKJBCKVBFHG-UHFFFAOYSA-N 1 2 304.306 1.159 20 5 DDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000072731923 353213320 /nfs/dbraw/zinc/21/33/20/353213320.db2.gz LHDDTSRKOCNZNW-UHFFFAOYSA-N 1 2 310.354 1.106 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174321422 198319222 /nfs/dbraw/zinc/31/92/22/198319222.db2.gz RZCBPIMPDDFDQT-LBPRGKRZSA-N 1 2 319.361 1.858 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c[nH+]cn2C)c1 ZINC000291517725 354446440 /nfs/dbraw/zinc/44/64/40/354446440.db2.gz UTMBBESNDKIFJR-UHFFFAOYSA-N 1 2 318.333 1.722 20 5 DDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000587036345 354879085 /nfs/dbraw/zinc/87/90/85/354879085.db2.gz WLADGRXVIYDKIJ-LLVKDONJSA-N 1 2 304.281 1.675 20 5 DDBDLO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586776411 354864684 /nfs/dbraw/zinc/86/46/84/354864684.db2.gz HGZMWSOLWUKSBC-LLVKDONJSA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586776411 354864685 /nfs/dbraw/zinc/86/46/85/354864685.db2.gz HGZMWSOLWUKSBC-LLVKDONJSA-N 1 2 305.334 1.515 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c[nH+]c2C1 ZINC000590378224 355079088 /nfs/dbraw/zinc/07/90/88/355079088.db2.gz HCNWMOLGPJSPCJ-UHFFFAOYSA-N 1 2 302.290 1.282 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000590378224 355079089 /nfs/dbraw/zinc/07/90/89/355079089.db2.gz HCNWMOLGPJSPCJ-UHFFFAOYSA-N 1 2 302.290 1.282 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972162 355227460 /nfs/dbraw/zinc/22/74/60/355227460.db2.gz NUIJEGWPSFWAFG-DOMZBBRYSA-N 1 2 320.345 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972162 355227462 /nfs/dbraw/zinc/22/74/62/355227462.db2.gz NUIJEGWPSFWAFG-DOMZBBRYSA-N 1 2 320.345 1.992 20 5 DDBDLO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC[NH2+]CC2 ZINC000591651770 355353697 /nfs/dbraw/zinc/35/36/97/355353697.db2.gz PKSCRRHVJWSIIO-LLVKDONJSA-N 1 2 319.361 1.905 20 5 DDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285997655 291066099 /nfs/dbraw/zinc/06/60/99/291066099.db2.gz YEELCUXPTJSUDC-SWLSCSKDSA-N 1 2 319.361 1.530 20 5 DDBDLO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1c[nH+]c[nH]1 ZINC000595591778 356566199 /nfs/dbraw/zinc/56/61/99/356566199.db2.gz KAHGJZZLJJJWAE-UHFFFAOYSA-N 1 2 324.362 1.224 20 5 DDBDLO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1c[nH]c[nH+]1 ZINC000595591778 356566202 /nfs/dbraw/zinc/56/62/02/356566202.db2.gz KAHGJZZLJJJWAE-UHFFFAOYSA-N 1 2 324.362 1.224 20 5 DDBDLO CO[C@@]1(CO)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595657608 356594619 /nfs/dbraw/zinc/59/46/19/356594619.db2.gz CUTBGSMUGLNRHK-AWEZNQCLSA-N 1 2 316.304 1.846 20 5 DDBDLO CO[C@@]1(CO)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595657608 356594622 /nfs/dbraw/zinc/59/46/22/356594622.db2.gz CUTBGSMUGLNRHK-AWEZNQCLSA-N 1 2 316.304 1.846 20 5 DDBDLO Cn1cc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000595760982 356642049 /nfs/dbraw/zinc/64/20/49/356642049.db2.gz YAZSKSCQSVMRFC-UHFFFAOYSA-N 1 2 305.338 1.624 20 5 DDBDLO Cn1cc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000595760982 356642052 /nfs/dbraw/zinc/64/20/52/356642052.db2.gz YAZSKSCQSVMRFC-UHFFFAOYSA-N 1 2 305.338 1.624 20 5 DDBDLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595809511 356659488 /nfs/dbraw/zinc/65/94/88/356659488.db2.gz SAIBBPDSJJKLGH-UWVGGRQHSA-N 1 2 319.317 1.604 20 5 DDBDLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595809511 356659490 /nfs/dbraw/zinc/65/94/90/356659490.db2.gz SAIBBPDSJJKLGH-UWVGGRQHSA-N 1 2 319.317 1.604 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347625781 283246022 /nfs/dbraw/zinc/24/60/22/283246022.db2.gz JLLGSOUIZHURMX-CQSZACIVSA-N 1 2 307.350 1.435 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347625781 283246026 /nfs/dbraw/zinc/24/60/26/283246026.db2.gz JLLGSOUIZHURMX-CQSZACIVSA-N 1 2 307.350 1.435 20 5 DDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(CO)CC1 ZINC000597641121 357265530 /nfs/dbraw/zinc/26/55/30/357265530.db2.gz GAMVXDFYRJVNJG-UHFFFAOYSA-N 1 2 316.317 1.377 20 5 DDBDLO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597921011 357381679 /nfs/dbraw/zinc/38/16/79/357381679.db2.gz DQVWGKOXBMCIAZ-SNVBAGLBSA-N 1 2 307.350 1.903 20 5 DDBDLO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597921011 357381684 /nfs/dbraw/zinc/38/16/84/357381684.db2.gz DQVWGKOXBMCIAZ-SNVBAGLBSA-N 1 2 307.350 1.903 20 5 DDBDLO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598460162 357591199 /nfs/dbraw/zinc/59/11/99/357591199.db2.gz RECLAVNBIVELQZ-SNVBAGLBSA-N 1 2 304.306 1.585 20 5 DDBDLO CCc1n[nH]c(C(=O)N[C@@H](C)c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000598738510 357709896 /nfs/dbraw/zinc/70/98/96/357709896.db2.gz NHKQHORSUFLYPM-QMMMGPOBSA-N 1 2 306.326 1.588 20 5 DDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946169 357769592 /nfs/dbraw/zinc/76/95/92/357769592.db2.gz DELMGPJJRZKNJZ-LBPRGKRZSA-N 1 2 318.308 1.604 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000599161943 357834248 /nfs/dbraw/zinc/83/42/48/357834248.db2.gz YMVYMCOPUIVBNJ-SNVBAGLBSA-N 1 2 317.292 1.939 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000599161943 357834250 /nfs/dbraw/zinc/83/42/50/357834250.db2.gz YMVYMCOPUIVBNJ-SNVBAGLBSA-N 1 2 317.292 1.939 20 5 DDBDLO COC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000599691456 358027197 /nfs/dbraw/zinc/02/71/97/358027197.db2.gz BZUOSQYGVXNIFV-HNNXBMFYSA-N 1 2 310.350 1.841 20 5 DDBDLO COC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000599691456 358027199 /nfs/dbraw/zinc/02/71/99/358027199.db2.gz BZUOSQYGVXNIFV-HNNXBMFYSA-N 1 2 310.350 1.841 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600419348 358215970 /nfs/dbraw/zinc/21/59/70/358215970.db2.gz GZJPTOQNXYPGIR-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600419348 358215971 /nfs/dbraw/zinc/21/59/71/358215971.db2.gz GZJPTOQNXYPGIR-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000348094675 283366011 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DDBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000596716461 356959817 /nfs/dbraw/zinc/95/98/17/356959817.db2.gz RQXIVVGDXDLIQR-GFCCVEGCSA-N 1 2 312.329 1.943 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000598000978 357416519 /nfs/dbraw/zinc/41/65/19/357416519.db2.gz WPNFWSNSJTYYHQ-STQMWFEESA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000598000978 357416523 /nfs/dbraw/zinc/41/65/23/357416523.db2.gz WPNFWSNSJTYYHQ-STQMWFEESA-N 1 2 321.377 1.363 20 5 DDBDLO CC(C)(C(=O)NCCc1ccccc1[N+](=O)[O-])c1c[nH]c[nH+]1 ZINC000598689506 357689181 /nfs/dbraw/zinc/68/91/81/357689181.db2.gz WYNCVNBUOMSSGB-UHFFFAOYSA-N 1 2 302.334 1.954 20 5 DDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598947626 357771086 /nfs/dbraw/zinc/77/10/86/357771086.db2.gz MCZRMTGSOCMPSD-JTQLQIEISA-N 1 2 304.281 1.675 20 5 DDBDLO CSc1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000598948861 357771798 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306.362 1.957 20 5 DDBDLO COCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288592120 220269233 /nfs/dbraw/zinc/26/92/33/220269233.db2.gz DHFARPQAAZFCNM-UHFFFAOYSA-N 1 2 313.310 1.598 20 5 DDBDLO COCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288592120 220269236 /nfs/dbraw/zinc/26/92/36/220269236.db2.gz DHFARPQAAZFCNM-UHFFFAOYSA-N 1 2 313.310 1.598 20 5 DDBDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340933511 251285937 /nfs/dbraw/zinc/28/59/37/251285937.db2.gz QVTUYZICJWUQJM-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000340933511 251285942 /nfs/dbraw/zinc/28/59/42/251285942.db2.gz QVTUYZICJWUQJM-WCBMZHEXSA-N 1 2 313.741 1.642 20 5 DDBDLO O=C1NC[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCN12 ZINC000413178488 284910871 /nfs/dbraw/zinc/91/08/71/284910871.db2.gz NADBNVICWIWDBO-LBPRGKRZSA-N 1 2 313.317 1.357 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000269629490 207697411 /nfs/dbraw/zinc/69/74/11/207697411.db2.gz FCELAXCWUOOAML-CYBMUJFWSA-N 1 2 315.320 1.511 20 5 DDBDLO O=C1C[N@H+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)CCN1 ZINC000269994041 208046188 /nfs/dbraw/zinc/04/61/88/208046188.db2.gz VSNYRTMCZPZHFG-UHFFFAOYSA-N 1 2 314.292 1.107 20 5 DDBDLO O=C1C[N@@H+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)CCN1 ZINC000269994041 208046192 /nfs/dbraw/zinc/04/61/92/208046192.db2.gz VSNYRTMCZPZHFG-UHFFFAOYSA-N 1 2 314.292 1.107 20 5 DDBDLO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000156783693 197140613 /nfs/dbraw/zinc/14/06/13/197140613.db2.gz CGGUXZJVULDLHK-LBPRGKRZSA-N 1 2 309.366 1.874 20 5 DDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000298055933 296517248 /nfs/dbraw/zinc/51/72/48/296517248.db2.gz JJVQEOXXRLYLRR-SNVBAGLBSA-N 1 2 320.271 1.035 20 5 DDBDLO C[C@H](CC(N)=O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353396741 285706609 /nfs/dbraw/zinc/70/66/09/285706609.db2.gz VBCMECCJYPZAIX-QMTHXVAHSA-N 1 2 317.349 1.271 20 5 DDBDLO C[C@@H]1C[NH+](CCn2cc(Cl)cc([N+](=O)[O-])c2=O)C[C@@H](C)O1 ZINC000570698626 304420000 /nfs/dbraw/zinc/42/00/00/304420000.db2.gz HXTQIJCAUXDRSD-NXEZZACHSA-N 1 2 315.757 1.519 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069863456 406780013 /nfs/dbraw/zinc/78/00/13/406780013.db2.gz CPMJBQSIKBAANH-NSHDSACASA-N 1 2 316.379 1.339 20 5 DDBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069863456 406780019 /nfs/dbraw/zinc/78/00/19/406780019.db2.gz CPMJBQSIKBAANH-NSHDSACASA-N 1 2 316.379 1.339 20 5 DDBDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008309589 406783011 /nfs/dbraw/zinc/78/30/11/406783011.db2.gz BFKZKUONUCNZGY-NSHDSACASA-N 1 2 322.365 1.380 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008309589 406783016 /nfs/dbraw/zinc/78/30/16/406783016.db2.gz BFKZKUONUCNZGY-NSHDSACASA-N 1 2 322.365 1.380 20 5 DDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)Cn1cc[nH+]c1 ZINC000034205156 406964682 /nfs/dbraw/zinc/96/46/82/406964682.db2.gz AMHWGCLGDGGQON-SNVBAGLBSA-N 1 2 303.322 1.440 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000106884609 407365071 /nfs/dbraw/zinc/36/50/71/407365071.db2.gz UCJCTGUVLQTSGU-JTQLQIEISA-N 1 2 309.322 1.263 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000106884609 407365072 /nfs/dbraw/zinc/36/50/72/407365072.db2.gz UCJCTGUVLQTSGU-JTQLQIEISA-N 1 2 309.322 1.263 20 5 DDBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)(F)F ZINC000128378018 407527790 /nfs/dbraw/zinc/52/77/90/407527790.db2.gz QJPUNZRPCLOSES-SNVBAGLBSA-N 1 2 321.303 1.360 20 5 DDBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)(F)F ZINC000128378018 407527796 /nfs/dbraw/zinc/52/77/96/407527796.db2.gz QJPUNZRPCLOSES-SNVBAGLBSA-N 1 2 321.303 1.360 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164997 407655555 /nfs/dbraw/zinc/65/55/55/407655555.db2.gz OLBCCSYWSCOFKU-AWEZNQCLSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000115164997 407655564 /nfs/dbraw/zinc/65/55/64/407655564.db2.gz OLBCCSYWSCOFKU-AWEZNQCLSA-N 1 2 319.361 1.496 20 5 DDBDLO CC[N@H+](CC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000231816754 407700124 /nfs/dbraw/zinc/70/01/24/407700124.db2.gz WMZZWMVVBADHME-UHFFFAOYSA-N 1 2 316.155 1.665 20 5 DDBDLO CC[N@@H+](CC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000231816754 407700130 /nfs/dbraw/zinc/70/01/30/407700130.db2.gz WMZZWMVVBADHME-UHFFFAOYSA-N 1 2 316.155 1.665 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000130814934 407709360 /nfs/dbraw/zinc/70/93/60/407709360.db2.gz IEQJTEWOIHPXSY-UHFFFAOYSA-N 1 2 320.353 1.269 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171665493 407736317 /nfs/dbraw/zinc/73/63/17/407736317.db2.gz DNXCAOZQQUWRQK-UHFFFAOYSA-N 1 2 322.365 1.068 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(O)CC1 ZINC000121405737 408202712 /nfs/dbraw/zinc/20/27/12/408202712.db2.gz GYHFMXQFGXFDPN-UHFFFAOYSA-N 1 2 316.317 1.377 20 5 DDBDLO COc1ccc(C(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000263870472 408294548 /nfs/dbraw/zinc/29/45/48/408294548.db2.gz LXDJPRKTKJSVAT-UHFFFAOYSA-N 1 2 323.349 1.008 20 5 DDBDLO Cc1ccc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000158770828 408361294 /nfs/dbraw/zinc/36/12/94/408361294.db2.gz DIBAVQBYNSAWFL-AWEZNQCLSA-N 1 2 306.322 1.766 20 5 DDBDLO Cc1ccc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000158770828 408361298 /nfs/dbraw/zinc/36/12/98/408361298.db2.gz DIBAVQBYNSAWFL-AWEZNQCLSA-N 1 2 306.322 1.766 20 5 DDBDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)c(N)c([N+](=O)[O-])c1 ZINC000265213105 408580957 /nfs/dbraw/zinc/58/09/57/408580957.db2.gz RUOILVOHKAPDMI-UHFFFAOYSA-N 1 2 303.322 1.491 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(O)CC1 ZINC000177334756 408582030 /nfs/dbraw/zinc/58/20/30/408582030.db2.gz RKOJJYVDIGXWJN-LLVKDONJSA-N 1 2 307.350 1.769 20 5 DDBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000161324683 408587718 /nfs/dbraw/zinc/58/77/18/408587718.db2.gz SVSHKIUBBOCFSL-LBPRGKRZSA-N 1 2 312.329 1.999 20 5 DDBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658479 408733640 /nfs/dbraw/zinc/73/36/40/408733640.db2.gz WTMFKTKUHAYWBB-JWCBKOKGSA-N 1 2 312.391 1.815 20 5 DDBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000265658479 408733643 /nfs/dbraw/zinc/73/36/43/408733643.db2.gz WTMFKTKUHAYWBB-JWCBKOKGSA-N 1 2 312.391 1.815 20 5 DDBDLO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000276553106 408881468 /nfs/dbraw/zinc/88/14/68/408881468.db2.gz FPYVPTRCTFNJJQ-CYBMUJFWSA-N 1 2 313.361 1.555 20 5 DDBDLO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280890099 408853781 /nfs/dbraw/zinc/85/37/81/408853781.db2.gz ZKJYXUVRPLVJOH-UHFFFAOYSA-N 1 2 305.334 1.657 20 5 DDBDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000280943031 408864229 /nfs/dbraw/zinc/86/42/29/408864229.db2.gz IAAKATLLUDCEPG-UHFFFAOYSA-N 1 2 314.345 1.730 20 5 DDBDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000280943031 408864231 /nfs/dbraw/zinc/86/42/31/408864231.db2.gz IAAKATLLUDCEPG-UHFFFAOYSA-N 1 2 314.345 1.730 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2)n1 ZINC000286075378 408919289 /nfs/dbraw/zinc/91/92/89/408919289.db2.gz CMBYUOJUCCTDFV-UHFFFAOYSA-N 1 2 319.321 1.499 20 5 DDBDLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000286397594 408976193 /nfs/dbraw/zinc/97/61/93/408976193.db2.gz NMNACGXAJQERBM-CMPLNLGQSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000286397594 408976197 /nfs/dbraw/zinc/97/61/97/408976197.db2.gz NMNACGXAJQERBM-CMPLNLGQSA-N 1 2 305.334 1.467 20 5 DDBDLO CC(C)S(=O)(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285362925 409411380 /nfs/dbraw/zinc/41/13/80/409411380.db2.gz QJQIRGNXIYWLLG-UHFFFAOYSA-N 1 2 314.407 1.892 20 5 DDBDLO CC(C)S(=O)(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285362925 409411388 /nfs/dbraw/zinc/41/13/88/409411388.db2.gz QJQIRGNXIYWLLG-UHFFFAOYSA-N 1 2 314.407 1.892 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000317391116 164027063 /nfs/dbraw/zinc/02/70/63/164027063.db2.gz MKUGHMJOOYDALS-JTQLQIEISA-N 1 2 324.362 1.695 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000296204043 409463791 /nfs/dbraw/zinc/46/37/91/409463791.db2.gz MYWJNONLTXRHCY-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000296204043 409463794 /nfs/dbraw/zinc/46/37/94/409463794.db2.gz MYWJNONLTXRHCY-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1c(CNc2nc3c(cnn3C)c(N)[nH+]2)cccc1[N+](=O)[O-] ZINC000302894747 409515519 /nfs/dbraw/zinc/51/55/19/409515519.db2.gz QMEWKIQCRXYOEN-UHFFFAOYSA-N 1 2 313.321 1.774 20 5 DDBDLO Cc1cc(NC[C@@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000342458371 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PMINDDMPBRLCOG-NRFANRHFSA-N 1 2 312.391 1.817 20 5 DDBDLO CC1(C)C[S@@](=O)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000348211412 410857619 /nfs/dbraw/zinc/85/76/19/410857619.db2.gz PMINDDMPBRLCOG-NRFANRHFSA-N 1 2 312.391 1.817 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CN(c2cc(F)ccc2[N+](=O)[O-])CCN1C ZINC000373684384 418446772 /nfs/dbraw/zinc/44/67/72/418446772.db2.gz UZVUHANEBGAHFH-AWEZNQCLSA-N 1 2 319.340 1.961 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374347754 418521026 /nfs/dbraw/zinc/52/10/26/418521026.db2.gz DKNDMLYSQFOIJE-NSHDSACASA-N 1 2 315.333 1.661 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374452833 418532068 /nfs/dbraw/zinc/53/20/68/418532068.db2.gz NIRHMGPSMCEVEF-IACUBPJLSA-N 1 2 318.377 1.591 20 5 DDBDLO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194235487 418542088 /nfs/dbraw/zinc/54/20/88/418542088.db2.gz DVVQUCHKZQSJEL-UHFFFAOYSA-N 1 2 319.361 1.905 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000360897599 418543770 /nfs/dbraw/zinc/54/37/70/418543770.db2.gz TZCXVDBORHNYHS-NSHDSACASA-N 1 2 310.402 1.167 20 5 DDBDLO Cc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000427994247 419783876 /nfs/dbraw/zinc/78/38/76/419783876.db2.gz RPSUXOVLAAEUNI-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO Nc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000428354954 419850622 /nfs/dbraw/zinc/85/06/22/419850622.db2.gz CVEPXPGXLXZQNT-VIFPVBQESA-N 1 2 301.306 1.118 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000428363376 419853866 /nfs/dbraw/zinc/85/38/66/419853866.db2.gz LRSIGIOUGMEFCR-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO COc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000428357786 419854043 /nfs/dbraw/zinc/85/40/43/419854043.db2.gz LFJUGEOHEKOXDF-NSHDSACASA-N 1 2 316.317 1.545 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000459792235 420873237 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20 5 DDBDLO Cc1nc(N(C)C)nc(NCCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488436187 421090958 /nfs/dbraw/zinc/09/09/58/421090958.db2.gz XKMJHVCECXSPNM-UHFFFAOYSA-N 1 2 317.353 1.678 20 5 DDBDLO Cc1nc(NCCNc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000488436187 421090961 /nfs/dbraw/zinc/09/09/61/421090961.db2.gz XKMJHVCECXSPNM-UHFFFAOYSA-N 1 2 317.353 1.678 20 5 DDBDLO O=C(NC[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450156835 421154767 /nfs/dbraw/zinc/15/47/67/421154767.db2.gz DQLUFSAMDIJQFH-CQSZACIVSA-N 1 2 316.317 1.281 20 5 DDBDLO CCN1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000450493833 421204184 /nfs/dbraw/zinc/20/41/84/421204184.db2.gz GVNZJFNNLIGZSE-LBPRGKRZSA-N 1 2 317.353 1.300 20 5 DDBDLO CC(C)c1ccc(C[NH+]2CC(N3CCNC3=O)C2)cc1[N+](=O)[O-] ZINC000517271176 421606412 /nfs/dbraw/zinc/60/64/12/421606412.db2.gz XRGJYGXKAGPBKI-UHFFFAOYSA-N 1 2 318.377 1.928 20 5 DDBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000522258048 421821609 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Cn1cc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000575160385 304720301 /nfs/dbraw/zinc/72/03/01/304720301.db2.gz BSBPQRLTQUAQMV-UHFFFAOYSA-N 1 2 313.277 1.161 20 5 DDBDLO O=C(NCCCn1cc[nH+]c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000524444361 302904825 /nfs/dbraw/zinc/90/48/25/302904825.db2.gz NTMZEDXPADSKAG-UHFFFAOYSA-N 1 2 318.289 1.340 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000365084078 307058195 /nfs/dbraw/zinc/05/81/95/307058195.db2.gz ZRGFRRICTHBNHQ-ZDUSSCGKSA-N 1 2 314.345 1.773 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000371703524 307156585 /nfs/dbraw/zinc/15/65/85/307156585.db2.gz MPURBFBSUFLVLP-UHFFFAOYSA-N 1 2 300.318 1.685 20 5 DDBDLO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@@H]21 ZINC000375832835 307232805 /nfs/dbraw/zinc/23/28/05/307232805.db2.gz DWJGAKRAWHZHCD-GRYCIOLGSA-N 1 2 305.334 1.500 20 5 DDBDLO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1(C)C ZINC000569721524 308148721 /nfs/dbraw/zinc/14/87/21/308148721.db2.gz VRJPRWGAVSQDLJ-IUODEOHRSA-N 1 2 323.349 1.771 20 5 DDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000577350014 308380570 /nfs/dbraw/zinc/38/05/70/308380570.db2.gz IHKHZNWEPGNGIM-PWSUYJOCSA-N 1 2 310.329 1.428 20 5 DDBDLO O=C(N[C@H]1C[C@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598528856 490380299 /nfs/dbraw/zinc/38/02/99/490380299.db2.gz CBQSMYGOYZLHAQ-XYPYZODXSA-N 1 2 302.290 1.034 20 5 DDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000331804856 534814277 /nfs/dbraw/zinc/81/42/77/534814277.db2.gz RJQDAMKVQDOGNQ-SKDRFNHKSA-N 1 2 320.305 1.571 20 5 DDBDLO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000451859782 529358532 /nfs/dbraw/zinc/35/85/32/529358532.db2.gz KZMOSBKIMLWAGG-GFCCVEGCSA-N 1 2 318.333 1.935 20 5 DDBDLO Cc1nn(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000121044941 696705503 /nfs/dbraw/zinc/70/55/03/696705503.db2.gz GCRBCRVNDOBVPF-CQSZACIVSA-N 1 2 317.349 1.914 20 5 DDBDLO Cc1nn(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000121044941 696705505 /nfs/dbraw/zinc/70/55/05/696705505.db2.gz GCRBCRVNDOBVPF-CQSZACIVSA-N 1 2 317.349 1.914 20 5 DDBDLO COc1cc(OCC(=O)OCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000747784448 700086395 /nfs/dbraw/zinc/08/63/95/700086395.db2.gz SRWPCVKJYAHQNA-UHFFFAOYSA-N 1 2 321.289 1.459 20 5 DDBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083630477 696553083 /nfs/dbraw/zinc/55/30/83/696553083.db2.gz VINLHHRTZXKEQG-CQSZACIVSA-N 1 2 310.354 1.409 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000784919460 699047410 /nfs/dbraw/zinc/04/74/10/699047410.db2.gz QQSPFCUFBNYKQZ-LBPRGKRZSA-N 1 2 323.349 1.271 20 5 DDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC(n2cc[nH+]c2)C1 ZINC000786792849 699169026 /nfs/dbraw/zinc/16/90/26/699169026.db2.gz IVIGKKYVYVUTHH-UHFFFAOYSA-N 1 2 322.346 1.256 20 5 DDBDLO CN1CC[N@H+](C)[C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000731947251 699542250 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COc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459956 357591298 /nfs/dbraw/zinc/59/12/98/357591298.db2.gz PIQCIIPKZODKHN-VIFPVBQESA-N 1 2 304.306 1.828 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598939266 357765193 /nfs/dbraw/zinc/76/51/93/357765193.db2.gz JZIAUCMNZBFMHL-LLVKDONJSA-N 1 2 300.318 1.763 20 5 DDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncccc1[N+](=O)[O-] ZINC000599130793 357824330 /nfs/dbraw/zinc/82/43/30/357824330.db2.gz LATJTAMKFBSMLR-HNNXBMFYSA-N 1 2 322.365 1.018 20 5 DDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncccc1[N+](=O)[O-] ZINC000599130793 357824333 /nfs/dbraw/zinc/82/43/33/357824333.db2.gz LATJTAMKFBSMLR-HNNXBMFYSA-N 1 2 322.365 1.018 20 5 DDBDLO COc1c(C(=O)N2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000599952771 358088579 /nfs/dbraw/zinc/08/85/79/358088579.db2.gz RGRMUNBBSQVVSA-UHFFFAOYSA-N 1 2 302.290 1.525 20 5 DDBDLO COc1c(C(=O)N2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000599952771 358088580 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304.306 1.528 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000611191048 360654702 /nfs/dbraw/zinc/65/47/02/360654702.db2.gz ALMCBVAXQVSDDL-UHFFFAOYSA-N 1 2 314.305 2.000 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619574350 364067479 /nfs/dbraw/zinc/06/74/79/364067479.db2.gz SALQHCRKJIBZMA-OLZOCXBDSA-N 1 2 323.324 1.559 20 5 DDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408083998 291300888 /nfs/dbraw/zinc/30/08/88/291300888.db2.gz LZHCOXOCANRMMW-QWRGUYRKSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408083998 291300893 /nfs/dbraw/zinc/30/08/93/291300893.db2.gz LZHCOXOCANRMMW-QWRGUYRKSA-N 1 2 313.379 1.308 20 5 DDBDLO CCCc1n[nH]c(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000264624612 204037811 /nfs/dbraw/zinc/03/78/11/204037811.db2.gz WBUGEOQNEUUJJQ-SECBINFHSA-N 1 2 306.326 1.285 20 5 DDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1nncs1 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1.637 20 5 DDBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267053323 407730433 /nfs/dbraw/zinc/73/04/33/407730433.db2.gz GPMVVJZIKJKSDZ-CQSZACIVSA-N 1 2 318.333 1.637 20 5 DDBDLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153030610 407738115 /nfs/dbraw/zinc/73/81/15/407738115.db2.gz LTWRASJZAPJYEF-GFCCVEGCSA-N 1 2 321.377 1.494 20 5 DDBDLO COCCCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153030610 407738118 /nfs/dbraw/zinc/73/81/18/407738118.db2.gz LTWRASJZAPJYEF-GFCCVEGCSA-N 1 2 321.377 1.494 20 5 DDBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000272595997 408000300 /nfs/dbraw/zinc/00/03/00/408000300.db2.gz GQYPDYUGROHULY-JTQLQIEISA-N 1 2 322.325 1.160 20 5 DDBDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C1 ZINC000272595997 408000307 /nfs/dbraw/zinc/00/03/07/408000307.db2.gz GQYPDYUGROHULY-JTQLQIEISA-N 1 2 322.325 1.160 20 5 DDBDLO CCC[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268577857 408106357 /nfs/dbraw/zinc/10/63/57/408106357.db2.gz IUFHLKXZWRNMCR-GFCCVEGCSA-N 1 2 318.333 1.671 20 5 DDBDLO C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000263819780 408273705 /nfs/dbraw/zinc/27/37/05/408273705.db2.gz PQTOOHKRRJJDRH-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000263819780 408273713 /nfs/dbraw/zinc/27/37/13/408273713.db2.gz PQTOOHKRRJJDRH-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO CCC[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269381642 408289162 /nfs/dbraw/zinc/28/91/62/408289162.db2.gz JQBCVPZCXDZGJA-UHFFFAOYSA-N 1 2 309.370 1.609 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183344565 408384541 /nfs/dbraw/zinc/38/45/41/408384541.db2.gz FKPUJHJXCYSTOW-ZIAGYGMSSA-N 1 2 308.334 1.666 20 5 DDBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183344565 408384542 /nfs/dbraw/zinc/38/45/42/408384542.db2.gz 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C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192012826 408527484 /nfs/dbraw/zinc/52/74/84/408527484.db2.gz ZHKGVQFVAIKZRR-CQSZACIVSA-N 1 2 321.377 1.966 20 5 DDBDLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192012826 408527489 /nfs/dbraw/zinc/52/74/89/408527489.db2.gz ZHKGVQFVAIKZRR-CQSZACIVSA-N 1 2 321.377 1.966 20 5 DDBDLO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[C@H]21 ZINC000252657369 408806158 /nfs/dbraw/zinc/80/61/58/408806158.db2.gz KDHMBOOCLVVRPZ-QWHCGFSZSA-N 1 2 319.361 1.857 20 5 DDBDLO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[C@H]21 ZINC000252657369 408806163 /nfs/dbraw/zinc/80/61/63/408806163.db2.gz KDHMBOOCLVVRPZ-QWHCGFSZSA-N 1 2 319.361 1.857 20 5 DDBDLO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000280860306 408847170 /nfs/dbraw/zinc/84/71/70/408847170.db2.gz BCKBZUIVWUXOEG-VHSXEESVSA-N 1 2 305.334 1.655 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1[N+](=O)[O-] 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JAXAVGBHTBXQPE-UHFFFAOYSA-N 1 2 302.334 1.883 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284165508 409288415 /nfs/dbraw/zinc/28/84/15/409288415.db2.gz RGBIZRVBLYMUCG-HUUCEWRRSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284165508 409288417 /nfs/dbraw/zinc/28/84/17/409288417.db2.gz RGBIZRVBLYMUCG-HUUCEWRRSA-N 1 2 319.361 1.448 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000353872567 409527992 /nfs/dbraw/zinc/52/79/92/409527992.db2.gz FJWVKZCGCQTMMA-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000353872567 409527996 /nfs/dbraw/zinc/52/79/96/409527996.db2.gz FJWVKZCGCQTMMA-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000356820067 409638743 /nfs/dbraw/zinc/63/87/43/409638743.db2.gz GACCLDNFUAWFSZ-SNVBAGLBSA-N 1 2 304.306 1.563 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342342022 409576651 /nfs/dbraw/zinc/57/66/51/409576651.db2.gz VORDTLGEGGRMDR-GFCCVEGCSA-N 1 2 322.365 1.497 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342342022 409576662 /nfs/dbraw/zinc/57/66/62/409576662.db2.gz VORDTLGEGGRMDR-GFCCVEGCSA-N 1 2 322.365 1.497 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332290764 410046723 /nfs/dbraw/zinc/04/67/23/410046723.db2.gz JJAJNFZDLSHJID-SNVBAGLBSA-N 1 2 303.322 1.798 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332290764 410046728 /nfs/dbraw/zinc/04/67/28/410046728.db2.gz JJAJNFZDLSHJID-SNVBAGLBSA-N 1 2 303.322 1.798 20 5 DDBDLO NC(=O)c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000357430378 410036739 /nfs/dbraw/zinc/03/67/39/410036739.db2.gz APCPBILEIJDPDY-UHFFFAOYSA-N 1 2 311.301 1.954 20 5 DDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOCC(F)F)CC1 ZINC000298108284 410117725 /nfs/dbraw/zinc/11/77/25/410117725.db2.gz NYXQADMBQZSSTO-UHFFFAOYSA-N 1 2 316.308 1.394 20 5 DDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000351760334 410214265 /nfs/dbraw/zinc/21/42/65/410214265.db2.gz UJCFVWYSFQSJFA-PRHODGIISA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000351760334 410214274 /nfs/dbraw/zinc/21/42/74/410214274.db2.gz UJCFVWYSFQSJFA-PRHODGIISA-N 1 2 313.741 1.499 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351751231 410206977 /nfs/dbraw/zinc/20/69/77/410206977.db2.gz AENXLHQZHGHKGN-IINYFYTJSA-N 1 2 323.349 1.245 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351751231 410206983 /nfs/dbraw/zinc/20/69/83/410206983.db2.gz AENXLHQZHGHKGN-IINYFYTJSA-N 1 2 323.349 1.245 20 5 DDBDLO CCn1cc(C[N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000355506429 410553925 /nfs/dbraw/zinc/55/39/25/410553925.db2.gz VTQMOYNDERANES-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO CCn1cc(C[N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000355506429 410553928 /nfs/dbraw/zinc/55/39/28/410553928.db2.gz VTQMOYNDERANES-UHFFFAOYSA-N 1 2 304.350 1.806 20 5 DDBDLO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000337242394 410670609 /nfs/dbraw/zinc/67/06/09/410670609.db2.gz GQPYTLJXMCAPLU-ZANVPECISA-N 1 2 309.753 1.959 20 5 DDBDLO O=C1NC[C@H]2[C@@H]1CCC[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000337242394 410670612 /nfs/dbraw/zinc/67/06/12/410670612.db2.gz GQPYTLJXMCAPLU-ZANVPECISA-N 1 2 309.753 1.959 20 5 DDBDLO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330368531 410647720 /nfs/dbraw/zinc/64/77/20/410647720.db2.gz RDBJRYVMIWMUGR-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO CS(=O)(=O)c1ccc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000302788256 410862404 /nfs/dbraw/zinc/86/24/04/410862404.db2.gz XISVICNMDPYMIX-UHFFFAOYSA-N 1 2 322.346 1.588 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000348431140 410962019 /nfs/dbraw/zinc/96/20/19/410962019.db2.gz UZVZFCYVNLDVLT-UHFFFAOYSA-N 1 2 317.301 1.937 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000331142903 410974841 /nfs/dbraw/zinc/97/48/41/410974841.db2.gz LBEVPRNXBDUQJV-DGCLKSJQSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000331142903 410974845 /nfs/dbraw/zinc/97/48/45/410974845.db2.gz LBEVPRNXBDUQJV-DGCLKSJQSA-N 1 2 307.350 1.544 20 5 DDBDLO C[C@H](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)n1cc[nH+]c1 ZINC000351513468 306765437 /nfs/dbraw/zinc/76/54/37/306765437.db2.gz PLAWYGFOMSSRNY-MRVPVSSYSA-N 1 2 303.282 1.379 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC2(CCOCC2)O1 ZINC000366072619 418425989 /nfs/dbraw/zinc/42/59/89/418425989.db2.gz KNEPERKYMWSBRZ-LLVKDONJSA-N 1 2 310.354 1.098 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC2(CCOCC2)O1 ZINC000366072619 418425991 /nfs/dbraw/zinc/42/59/91/418425991.db2.gz KNEPERKYMWSBRZ-LLVKDONJSA-N 1 2 310.354 1.098 20 5 DDBDLO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000367648209 418619484 /nfs/dbraw/zinc/61/94/84/418619484.db2.gz GGNKNGMSZAKUOD-UKRRQHHQSA-N 1 2 305.334 1.644 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000357293761 418650959 /nfs/dbraw/zinc/65/09/59/418650959.db2.gz AOBSMVAOIHOMNZ-VIFPVBQESA-N 1 2 314.305 1.941 20 5 DDBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000361506885 418664429 /nfs/dbraw/zinc/66/44/29/418664429.db2.gz BSODHWIWIIRLNH-MLGOLLRUSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000361506885 418664431 /nfs/dbraw/zinc/66/44/31/418664431.db2.gz BSODHWIWIIRLNH-MLGOLLRUSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc(C[N@@H+]2CCc3nnc(N)cc3C2)cc1[N+](=O)[O-] ZINC000369759207 418737960 /nfs/dbraw/zinc/73/79/60/418737960.db2.gz FLIMLSVMHJYQNN-UHFFFAOYSA-N 1 2 315.333 1.534 20 5 DDBDLO COc1ccc(C[N@H+]2CCc3nnc(N)cc3C2)cc1[N+](=O)[O-] ZINC000369759207 418737961 /nfs/dbraw/zinc/73/79/61/418737961.db2.gz FLIMLSVMHJYQNN-UHFFFAOYSA-N 1 2 315.333 1.534 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092755 418787088 /nfs/dbraw/zinc/78/70/88/418787088.db2.gz ZRAIIPQQDYTWGJ-VHSXEESVSA-N 1 2 309.370 1.606 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092755 418787090 /nfs/dbraw/zinc/78/70/90/418787090.db2.gz ZRAIIPQQDYTWGJ-VHSXEESVSA-N 1 2 309.370 1.606 20 5 DDBDLO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000426205860 419407970 /nfs/dbraw/zinc/40/79/70/419407970.db2.gz BLPMMHWXTVFSKF-GWCFXTLKSA-N 1 2 307.350 1.689 20 5 DDBDLO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000426205860 419407984 /nfs/dbraw/zinc/40/79/84/419407984.db2.gz BLPMMHWXTVFSKF-GWCFXTLKSA-N 1 2 307.350 1.689 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C)(C(=O)OC)C1 ZINC000425377047 420365997 /nfs/dbraw/zinc/36/59/97/420365997.db2.gz 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1.750 20 5 DDBDLO Cc1nnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000173470530 162340725 /nfs/dbraw/zinc/34/07/25/162340725.db2.gz IBDSMXKUCOOSLX-JTQLQIEISA-N 1 2 304.310 1.368 20 5 DDBDLO Cc1nnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000173470530 162340735 /nfs/dbraw/zinc/34/07/35/162340735.db2.gz IBDSMXKUCOOSLX-JTQLQIEISA-N 1 2 304.310 1.368 20 5 DDBDLO Cc1cc(NC(=O)NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193521206 408726296 /nfs/dbraw/zinc/72/62/96/408726296.db2.gz VCUXQNMIMAKGHN-UHFFFAOYSA-N 1 2 308.338 1.357 20 5 DDBDLO COC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000251876569 408789524 /nfs/dbraw/zinc/78/95/24/408789524.db2.gz PKJQZWZLRRZPQO-FZMZJTMJSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000251876569 408789527 /nfs/dbraw/zinc/78/95/27/408789527.db2.gz PKJQZWZLRRZPQO-FZMZJTMJSA-N 1 2 310.350 1.839 20 5 DDBDLO CCN1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185166041 408772939 /nfs/dbraw/zinc/77/29/39/408772939.db2.gz KEKVVFRLYNGMML-UHFFFAOYSA-N 1 2 324.356 1.700 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)[S@@]1=O ZINC000286133407 408930230 /nfs/dbraw/zinc/93/02/30/408930230.db2.gz VFNBMTPBNRVRKL-HZNYWTHISA-N 1 2 300.384 1.023 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)[S@@]1=O ZINC000286133407 408930232 /nfs/dbraw/zinc/93/02/32/408930232.db2.gz VFNBMTPBNRVRKL-HZNYWTHISA-N 1 2 300.384 1.023 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCOC1=O ZINC000289452153 409274880 /nfs/dbraw/zinc/27/48/80/409274880.db2.gz FQGYVPOEVHWCFX-HNNXBMFYSA-N 1 2 321.333 1.527 20 5 DDBDLO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccon1 ZINC000349237365 409754816 /nfs/dbraw/zinc/75/48/16/409754816.db2.gz IFNHWCXZBTXXPG-JTQLQIEISA-N 1 2 316.317 1.823 20 5 DDBDLO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000297030016 409768894 /nfs/dbraw/zinc/76/88/94/409768894.db2.gz RZSGWIUQYIHJTK-LLVKDONJSA-N 1 2 307.350 1.857 20 5 DDBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315071469 409833227 /nfs/dbraw/zinc/83/32/27/409833227.db2.gz BISQUVRNHGSEFF-SECBINFHSA-N 1 2 317.342 1.059 20 5 DDBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315071469 409833231 /nfs/dbraw/zinc/83/32/31/409833231.db2.gz BISQUVRNHGSEFF-SECBINFHSA-N 1 2 317.342 1.059 20 5 DDBDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000338295948 409883337 /nfs/dbraw/zinc/88/33/37/409883337.db2.gz PZJLZLAMCWJCJW-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000339133854 410061551 /nfs/dbraw/zinc/06/15/51/410061551.db2.gz PKYMFCYSDKHVJM-SMDDNHRTSA-N 1 2 310.350 1.926 20 5 DDBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000339133854 410061557 /nfs/dbraw/zinc/06/15/57/410061557.db2.gz PKYMFCYSDKHVJM-SMDDNHRTSA-N 1 2 310.350 1.926 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332593735 410185983 /nfs/dbraw/zinc/18/59/83/410185983.db2.gz KDVLQYKCKWKIBC-GFCCVEGCSA-N 1 2 306.366 1.069 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332593735 410185989 /nfs/dbraw/zinc/18/59/89/410185989.db2.gz KDVLQYKCKWKIBC-GFCCVEGCSA-N 1 2 306.366 1.069 20 5 DDBDLO COc1cc(C[N@H+](C)CC(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000351970864 410383089 /nfs/dbraw/zinc/38/30/89/410383089.db2.gz KVDMJUMOLZARBT-UHFFFAOYSA-N 1 2 309.366 1.950 20 5 DDBDLO COc1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000351970864 410383092 /nfs/dbraw/zinc/38/30/92/410383092.db2.gz KVDMJUMOLZARBT-UHFFFAOYSA-N 1 2 309.366 1.950 20 5 DDBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352186223 410530008 /nfs/dbraw/zinc/53/00/08/410530008.db2.gz KBJLHVDQGIIHDO-LLVKDONJSA-N 1 2 316.379 1.071 20 5 DDBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352186223 410530013 /nfs/dbraw/zinc/53/00/13/410530013.db2.gz KBJLHVDQGIIHDO-LLVKDONJSA-N 1 2 316.379 1.071 20 5 DDBDLO O=C1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)CCN1 ZINC000301084766 410652829 /nfs/dbraw/zinc/65/28/29/410652829.db2.gz MGRYZUAKDVTXGA-UHFFFAOYSA-N 1 2 313.317 1.670 20 5 DDBDLO Cc1c(NC(=O)NCC[N@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000355867545 410708400 /nfs/dbraw/zinc/70/84/00/410708400.db2.gz VTOPSTQHNSDWBE-LLVKDONJSA-N 1 2 322.365 1.745 20 5 DDBDLO Cc1c(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000355867545 410708405 /nfs/dbraw/zinc/70/84/05/410708405.db2.gz VTOPSTQHNSDWBE-LLVKDONJSA-N 1 2 322.365 1.745 20 5 DDBDLO CCOc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331191234 411005972 /nfs/dbraw/zinc/00/59/72/411005972.db2.gz WAGVNPCXEOBQPX-WCQYABFASA-N 1 2 310.350 1.575 20 5 DDBDLO CCOc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331191234 411005978 /nfs/dbraw/zinc/00/59/78/411005978.db2.gz WAGVNPCXEOBQPX-WCQYABFASA-N 1 2 310.350 1.575 20 5 DDBDLO Cc1ccc[nH+]c1CCc1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000351128704 306762614 /nfs/dbraw/zinc/76/26/14/306762614.db2.gz JUBVAOSKECHYDR-UHFFFAOYSA-N 1 2 314.305 1.711 20 5 DDBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000360494072 418449504 /nfs/dbraw/zinc/44/95/04/418449504.db2.gz AWQVWWUKUSPUIZ-LLVKDONJSA-N 1 2 324.362 1.406 20 5 DDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000360799303 418520911 /nfs/dbraw/zinc/52/09/11/418520911.db2.gz HLDQVWZVSAKVJT-UHFFFAOYSA-N 1 2 312.289 1.971 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000366403791 418469955 /nfs/dbraw/zinc/46/99/55/418469955.db2.gz WLWCLOCKCDVRCP-GFCCVEGCSA-N 1 2 303.322 1.377 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000366403791 418469959 /nfs/dbraw/zinc/46/99/59/418469959.db2.gz WLWCLOCKCDVRCP-GFCCVEGCSA-N 1 2 303.322 1.377 20 5 DDBDLO Cc1nc(N2CCN(c3ccncc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000361045163 418572629 /nfs/dbraw/zinc/57/26/29/418572629.db2.gz WDYMNGSGLCEHJK-UHFFFAOYSA-N 1 2 300.322 1.415 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375617318 418663717 /nfs/dbraw/zinc/66/37/17/418663717.db2.gz HPUUFQLDMUPKME-INIZCTEOSA-N 1 2 322.361 1.985 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375617318 418663720 /nfs/dbraw/zinc/66/37/20/418663720.db2.gz HPUUFQLDMUPKME-INIZCTEOSA-N 1 2 322.361 1.985 20 5 DDBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578865 418685116 /nfs/dbraw/zinc/68/51/16/418685116.db2.gz APKYGDGROFZUQU-DGCLKSJQSA-N 1 2 323.349 1.005 20 5 DDBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578865 418685118 /nfs/dbraw/zinc/68/51/18/418685118.db2.gz APKYGDGROFZUQU-DGCLKSJQSA-N 1 2 323.349 1.005 20 5 DDBDLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411164960 418875495 /nfs/dbraw/zinc/87/54/95/418875495.db2.gz IXGJLZHGGJSZLM-LSDHHAIUSA-N 1 2 319.361 1.147 20 5 DDBDLO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000411444166 418905133 /nfs/dbraw/zinc/90/51/33/418905133.db2.gz SKYXZXNSHMPFML-OAHLLOKOSA-N 1 2 323.349 1.855 20 5 DDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428003632 419785865 /nfs/dbraw/zinc/78/58/65/419785865.db2.gz DJOIBMPFWSFXQU-GFCCVEGCSA-N 1 2 300.318 1.465 20 5 DDBDLO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000429573387 420027284 /nfs/dbraw/zinc/02/72/84/420027284.db2.gz AVYHPDVPSBIKQO-GTJPDFRWSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000429573387 420027288 /nfs/dbraw/zinc/02/72/88/420027288.db2.gz AVYHPDVPSBIKQO-GTJPDFRWSA-N 1 2 312.391 1.817 20 5 DDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210850 420089530 /nfs/dbraw/zinc/08/95/30/420089530.db2.gz VRZVQCFMAKRSQZ-CYBMUJFWSA-N 1 2 307.350 1.704 20 5 DDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210850 420089533 /nfs/dbraw/zinc/08/95/33/420089533.db2.gz VRZVQCFMAKRSQZ-CYBMUJFWSA-N 1 2 307.350 1.704 20 5 DDBDLO COc1cccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000444190982 230062874 /nfs/dbraw/zinc/06/28/74/230062874.db2.gz XDVYCMGSCOEZJQ-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO COc1cccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000444190982 230062875 /nfs/dbraw/zinc/06/28/75/230062875.db2.gz XDVYCMGSCOEZJQ-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO CCNC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492457816 420565105 /nfs/dbraw/zinc/56/51/05/420565105.db2.gz BIOLYEGAXSZZPR-UHFFFAOYSA-N 1 2 309.366 1.952 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492457816 420565110 /nfs/dbraw/zinc/56/51/10/420565110.db2.gz BIOLYEGAXSZZPR-UHFFFAOYSA-N 1 2 309.366 1.952 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493221337 420791132 /nfs/dbraw/zinc/79/11/32/420791132.db2.gz LTQMHBDDEMAUCX-YBJDMEARSA-N 1 2 319.361 1.445 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493221337 420791134 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ZINC000596716462 356959756 /nfs/dbraw/zinc/95/97/56/356959756.db2.gz RQXIVVGDXDLIQR-LBPRGKRZSA-N 1 2 312.329 1.943 20 5 DDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598000975 357416846 /nfs/dbraw/zinc/41/68/46/357416846.db2.gz WPNFWSNSJTYYHQ-CHWSQXEVSA-N 1 2 321.377 1.363 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598000975 357416851 /nfs/dbraw/zinc/41/68/51/357416851.db2.gz WPNFWSNSJTYYHQ-CHWSQXEVSA-N 1 2 321.377 1.363 20 5 DDBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000276836671 213123810 /nfs/dbraw/zinc/12/38/10/213123810.db2.gz BSYHBKJUQFNNII-CYBMUJFWSA-N 1 2 307.350 1.704 20 5 DDBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000276836671 213123814 /nfs/dbraw/zinc/12/38/14/213123814.db2.gz BSYHBKJUQFNNII-CYBMUJFWSA-N 1 2 307.350 1.704 20 5 DDBDLO C[C@H](O)C1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000598384445 357559863 /nfs/dbraw/zinc/55/98/63/357559863.db2.gz DRPORDZWJLYXTP-JTQLQIEISA-N 1 2 316.317 1.424 20 5 DDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000598738068 357710040 /nfs/dbraw/zinc/71/00/40/357710040.db2.gz DKNWVLGISNIQDX-JTQLQIEISA-N 1 2 320.353 1.584 20 5 DDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598948586 357772537 /nfs/dbraw/zinc/77/25/37/357772537.db2.gz RNGCTQDCGHOPSE-LBPRGKRZSA-N 1 2 300.318 1.465 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949598 357772547 /nfs/dbraw/zinc/77/25/47/357772547.db2.gz XASTVNFNZRZBMD-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000598950909 357774226 /nfs/dbraw/zinc/77/42/26/357774226.db2.gz WJBWXMWPOMTICA-LBPRGKRZSA-N 1 2 300.318 1.845 20 5 DDBDLO NC(=O)C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599187884 357844443 /nfs/dbraw/zinc/84/44/43/357844443.db2.gz REDZYOBHBUVKBD-NSHDSACASA-N 1 2 316.317 1.224 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000600208027 358157387 /nfs/dbraw/zinc/15/73/87/358157387.db2.gz IOPRGPJJKNBGGP-WASHYIJTSA-N 1 2 319.361 1.574 20 5 DDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000600208027 358157390 /nfs/dbraw/zinc/15/73/90/358157390.db2.gz IOPRGPJJKNBGGP-WASHYIJTSA-N 1 2 319.361 1.574 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000601113452 358407254 /nfs/dbraw/zinc/40/72/54/358407254.db2.gz MVKHDAQHEDQXGF-UHFFFAOYSA-N 1 2 320.328 1.185 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601119443 358410261 /nfs/dbraw/zinc/41/02/61/358410261.db2.gz YXODXGCLNIZUBF-UHFFFAOYSA-N 1 2 304.232 1.707 20 5 DDBDLO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000602174192 358863637 /nfs/dbraw/zinc/86/36/37/358863637.db2.gz RXJDTLFXWAWIIZ-CHWSQXEVSA-N 1 2 307.350 1.759 20 5 DDBDLO Cn1cc(CN2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])n1 ZINC000602430757 358971953 /nfs/dbraw/zinc/97/19/53/358971953.db2.gz PYMFUKUPPJJCPU-UHFFFAOYSA-N 1 2 305.338 1.239 20 5 DDBDLO Cc1cc[nH+]cc1N1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602648344 359098930 /nfs/dbraw/zinc/09/89/30/359098930.db2.gz PLLPFJSRSGXYMZ-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000602834289 359225248 /nfs/dbraw/zinc/22/52/48/359225248.db2.gz YGWBIRFOPXIWAI-VPOQAHPWSA-N 1 2 314.411 1.331 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000602834289 359225253 /nfs/dbraw/zinc/22/52/53/359225253.db2.gz YGWBIRFOPXIWAI-VPOQAHPWSA-N 1 2 314.411 1.331 20 5 DDBDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602951931 359317115 /nfs/dbraw/zinc/31/71/15/359317115.db2.gz NQCXNWGRNPCVAL-HIFRSBDPSA-N 1 2 308.334 1.747 20 5 DDBDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602951931 359317119 /nfs/dbraw/zinc/31/71/19/359317119.db2.gz NQCXNWGRNPCVAL-HIFRSBDPSA-N 1 2 308.334 1.747 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603249013 359514151 /nfs/dbraw/zinc/51/41/51/359514151.db2.gz DKEBMBNFAHERKE-IAQYHMDHSA-N 1 2 317.349 1.765 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000186819717 200016699 /nfs/dbraw/zinc/01/66/99/200016699.db2.gz XZHKLUYTOLZPTQ-BXUZGUMPSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000186819717 200016701 /nfs/dbraw/zinc/01/67/01/200016701.db2.gz XZHKLUYTOLZPTQ-BXUZGUMPSA-N 1 2 307.350 1.544 20 5 DDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2[nH+]ccn2c1 ZINC000610876731 360559205 /nfs/dbraw/zinc/55/92/05/360559205.db2.gz AQVHYRAJWLRLQI-UHFFFAOYSA-N 1 2 315.293 1.261 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCOC[C@@H]1C ZINC000610990650 360592405 /nfs/dbraw/zinc/59/24/05/360592405.db2.gz FSKKMRVFTKXBAW-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCOC[C@@H]1C ZINC000610990650 360592406 /nfs/dbraw/zinc/59/24/06/360592406.db2.gz FSKKMRVFTKXBAW-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000193278867 201018543 /nfs/dbraw/zinc/01/85/43/201018543.db2.gz ZSARZCVIWDQWRS-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)Nc2cc[nH+]cc2N(C)C)c1[N+](=O)[O-] ZINC000614050476 361676386 /nfs/dbraw/zinc/67/63/86/361676386.db2.gz ATPKZAMVVZIHIR-UHFFFAOYSA-N 1 2 318.337 1.577 20 5 DDBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC[NH2+]CC1 ZINC000262518725 203316690 /nfs/dbraw/zinc/31/66/90/203316690.db2.gz KNEGOABXBFLAIR-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023991875 182371302 /nfs/dbraw/zinc/37/13/02/182371302.db2.gz ITUXCPNARJDEIU-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023991875 182371305 /nfs/dbraw/zinc/37/13/05/182371305.db2.gz ITUXCPNARJDEIU-JTQLQIEISA-N 1 2 313.741 1.643 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000023991868 182371420 /nfs/dbraw/zinc/37/14/20/182371420.db2.gz MGOBSUPTQFUBEP-LLVKDONJSA-N 1 2 323.349 1.389 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000023991868 182371422 /nfs/dbraw/zinc/37/14/22/182371422.db2.gz MGOBSUPTQFUBEP-LLVKDONJSA-N 1 2 323.349 1.389 20 5 DDBDLO C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000126404095 248279390 /nfs/dbraw/zinc/27/93/90/248279390.db2.gz ISLMXKKVNYWQJY-JQWIXIFHSA-N 1 2 318.337 1.248 20 5 DDBDLO COC[C@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000339000871 250242054 /nfs/dbraw/zinc/24/20/54/250242054.db2.gz OVOKMXBRLIFUCI-KGLIPLIRSA-N 1 2 320.349 1.015 20 5 DDBDLO Cn1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000340641788 251149309 /nfs/dbraw/zinc/14/93/09/251149309.db2.gz IZHMPICZNRGBQT-JTQLQIEISA-N 1 2 303.322 1.676 20 5 DDBDLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000270045772 208100548 /nfs/dbraw/zinc/10/05/48/208100548.db2.gz BLNUWMBCSQLXOE-NXEZZACHSA-N 1 2 317.349 1.636 20 5 DDBDLO C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000270091771 208149134 /nfs/dbraw/zinc/14/91/34/208149134.db2.gz HPYLAZFGMATUJC-HNNXBMFYSA-N 1 2 316.317 1.689 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000434944702 285092048 /nfs/dbraw/zinc/09/20/48/285092048.db2.gz XXBDPYLLEJUHNS-UHFFFAOYSA-N 1 2 322.756 1.689 20 5 DDBDLO Cc1ccc[nH+]c1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000294938138 224324793 /nfs/dbraw/zinc/32/47/93/224324793.db2.gz HYRMOIRGVXVTHV-UHFFFAOYSA-N 1 2 315.333 1.837 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339774778 296508117 /nfs/dbraw/zinc/50/81/17/296508117.db2.gz YPCPTKYYUHMCFX-HZPDHXFCSA-N 1 2 322.361 1.710 20 5 DDBDLO C[N@@H+]1CCO[C@H](CSc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000570158045 304399195 /nfs/dbraw/zinc/39/91/95/304399195.db2.gz LJXUDKOVRWQYAZ-QMMMGPOBSA-N 1 2 314.392 1.727 20 5 DDBDLO C[N@H+]1CCO[C@H](CSc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000570158045 304399196 /nfs/dbraw/zinc/39/91/96/304399196.db2.gz LJXUDKOVRWQYAZ-QMMMGPOBSA-N 1 2 314.392 1.727 20 5 DDBDLO C[C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000570401374 304409942 /nfs/dbraw/zinc/40/99/42/304409942.db2.gz QWHZOQDVXIUNGH-LBPRGKRZSA-N 1 2 318.333 1.938 20 5 DDBDLO CC(C)(CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000124703141 407367408 /nfs/dbraw/zinc/36/74/08/407367408.db2.gz SHMGQOMGWLNSEI-UHFFFAOYSA-N 1 2 323.353 1.222 20 5 DDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000114854242 407626805 /nfs/dbraw/zinc/62/68/05/407626805.db2.gz ZTRPKJWBRQVTLM-CQSZACIVSA-N 1 2 305.334 1.188 20 5 DDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000114854242 407626812 /nfs/dbraw/zinc/62/68/12/407626812.db2.gz ZTRPKJWBRQVTLM-CQSZACIVSA-N 1 2 305.334 1.188 20 5 DDBDLO CCc1nn(C)c(NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000179579046 407809611 /nfs/dbraw/zinc/80/96/11/407809611.db2.gz VXXUGPYWHIJKCV-UHFFFAOYSA-N 1 2 311.386 1.413 20 5 DDBDLO CCc1nn(C)c(NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000179579046 407809617 /nfs/dbraw/zinc/80/96/17/407809617.db2.gz VXXUGPYWHIJKCV-UHFFFAOYSA-N 1 2 311.386 1.413 20 5 DDBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC1CC1 ZINC000173464758 407882443 /nfs/dbraw/zinc/88/24/43/407882443.db2.gz FPJNJKZLTCFPPM-LBPRGKRZSA-N 1 2 319.365 1.002 20 5 DDBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC1CC1 ZINC000173464758 407882446 /nfs/dbraw/zinc/88/24/46/407882446.db2.gz FPJNJKZLTCFPPM-LBPRGKRZSA-N 1 2 319.365 1.002 20 5 DDBDLO CC[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000118999776 407973736 /nfs/dbraw/zinc/97/37/36/407973736.db2.gz PMVRNLOHCHLPAE-NSHDSACASA-N 1 2 314.773 1.536 20 5 DDBDLO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000189513953 408037383 /nfs/dbraw/zinc/03/73/83/408037383.db2.gz RFVPGHGKRUFABG-UHFFFAOYSA-N 1 2 307.350 1.857 20 5 DDBDLO Cn1cc(N2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000174918278 408008834 /nfs/dbraw/zinc/00/88/34/408008834.db2.gz WGXKMYXINYNVAB-UHFFFAOYSA-N 1 2 307.379 1.712 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000154784565 408085464 /nfs/dbraw/zinc/08/54/64/408085464.db2.gz WKEBXUARRRXQLK-UHFFFAOYSA-N 1 2 321.312 1.675 20 5 DDBDLO CNC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000182441819 408159658 /nfs/dbraw/zinc/15/96/58/408159658.db2.gz SVPZBBBHTDKEGA-YVZNUBBCSA-N 1 2 305.334 1.055 20 5 DDBDLO CNC(=O)[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000182441819 408159665 /nfs/dbraw/zinc/15/96/65/408159665.db2.gz SVPZBBBHTDKEGA-YVZNUBBCSA-N 1 2 305.334 1.055 20 5 DDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](C)[NH+]1CCOCC1 ZINC000176506447 408383921 /nfs/dbraw/zinc/38/39/21/408383921.db2.gz ASZMTFDCKYWRQE-GHMZBOCLSA-N 1 2 322.365 1.016 20 5 DDBDLO COc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000247525887 408487706 /nfs/dbraw/zinc/48/77/06/408487706.db2.gz ZKTTYFGKMPZDJZ-HZPDHXFCSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000247525887 408487709 /nfs/dbraw/zinc/48/77/09/408487709.db2.gz ZKTTYFGKMPZDJZ-HZPDHXFCSA-N 1 2 322.361 1.983 20 5 DDBDLO Cn1cncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177228576 408556166 /nfs/dbraw/zinc/55/61/66/408556166.db2.gz AJUULOXKDZNNGY-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO Cn1c[nH+]cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177228576 408556169 /nfs/dbraw/zinc/55/61/69/408556169.db2.gz AJUULOXKDZNNGY-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO Cc1cccc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c1[N+](=O)[O-] ZINC000275467620 408589863 /nfs/dbraw/zinc/58/98/63/408589863.db2.gz NSFIOMOTQZBTIQ-UHFFFAOYSA-N 1 2 306.366 1.289 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270644788 408616934 /nfs/dbraw/zinc/61/69/34/408616934.db2.gz NSTROTHXTZDIAB-LBPRGKRZSA-N 1 2 322.365 1.625 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270644788 408616936 /nfs/dbraw/zinc/61/69/36/408616936.db2.gz NSTROTHXTZDIAB-LBPRGKRZSA-N 1 2 322.365 1.625 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265645387 408729767 /nfs/dbraw/zinc/72/97/67/408729767.db2.gz LLJRDKFFJWIBLC-GXFFZTMASA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265645387 408729771 /nfs/dbraw/zinc/72/97/71/408729771.db2.gz LLJRDKFFJWIBLC-GXFFZTMASA-N 1 2 320.349 1.084 20 5 DDBDLO CN(CC[NH+]1CCOCC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292047623 408968746 /nfs/dbraw/zinc/96/87/46/408968746.db2.gz VSTWOTDQQNJZGE-UHFFFAOYSA-N 1 2 316.361 1.911 20 5 DDBDLO CN(C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282549117 409057793 /nfs/dbraw/zinc/05/77/93/409057793.db2.gz WZQKZMUDUKOKBX-UHFFFAOYSA-N 1 2 305.338 1.718 20 5 DDBDLO CN(C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282549117 409057797 /nfs/dbraw/zinc/05/77/97/409057797.db2.gz WZQKZMUDUKOKBX-UHFFFAOYSA-N 1 2 305.338 1.718 20 5 DDBDLO Cc1c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000283975083 409250240 /nfs/dbraw/zinc/25/02/40/409250240.db2.gz HDCOEIBKMWKGDU-CABCVRRESA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000283975083 409250242 /nfs/dbraw/zinc/25/02/42/409250242.db2.gz HDCOEIBKMWKGDU-CABCVRRESA-N 1 2 319.361 1.448 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000279363006 409199255 /nfs/dbraw/zinc/19/92/55/409199255.db2.gz RZCMJZJDKPDXAP-CYBMUJFWSA-N 1 2 321.377 1.316 20 5 DDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295191109 409364952 /nfs/dbraw/zinc/36/49/52/409364952.db2.gz ALVQNBPXZIFGAN-UHFFFAOYSA-N 1 2 310.335 1.290 20 5 DDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nnc(CC)[nH]1 ZINC000296213620 409466759 /nfs/dbraw/zinc/46/67/59/409466759.db2.gz ZXZZMLHDFXRLLD-UHFFFAOYSA-N 1 2 305.338 1.964 20 5 DDBDLO CNc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000317295352 164027482 /nfs/dbraw/zinc/02/74/82/164027482.db2.gz RZGXNEVEQWLXDN-JTQLQIEISA-N 1 2 303.322 1.652 20 5 DDBDLO Cc1cc(NC[C@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000342458370 409646729 /nfs/dbraw/zinc/64/67/29/409646729.db2.gz ZFXXCNUHNYACFF-AWEZNQCLSA-N 1 2 314.345 1.965 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331679075 409763255 /nfs/dbraw/zinc/76/32/55/409763255.db2.gz RXDKSORKQAYRGF-UHFFFAOYSA-N 1 2 318.337 1.229 20 5 DDBDLO Cn1c[nH+]c(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000313473684 409812247 /nfs/dbraw/zinc/81/22/47/409812247.db2.gz OTDNMEUWEYFYMP-UHFFFAOYSA-N 1 2 324.362 1.386 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351751230 410207057 /nfs/dbraw/zinc/20/70/57/410207057.db2.gz AENXLHQZHGHKGN-HZMBPMFUSA-N 1 2 323.349 1.245 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351751230 410207063 /nfs/dbraw/zinc/20/70/63/410207063.db2.gz AENXLHQZHGHKGN-HZMBPMFUSA-N 1 2 323.349 1.245 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358339191 410449915 /nfs/dbraw/zinc/44/99/15/410449915.db2.gz CRYRXYFRKGGIKA-SNVBAGLBSA-N 1 2 306.297 1.678 20 5 DDBDLO CNC(=O)N1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347321380 410470176 /nfs/dbraw/zinc/47/01/76/410470176.db2.gz YCPWJFRBLWTTSJ-RAXLEYEMSA-N 1 2 318.377 1.955 20 5 DDBDLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000347343687 410484813 /nfs/dbraw/zinc/48/48/13/410484813.db2.gz GWWDCPHGPUDCBK-OAHLLOKOSA-N 1 2 307.325 1.918 20 5 DDBDLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000347343687 410484817 /nfs/dbraw/zinc/48/48/17/410484817.db2.gz GWWDCPHGPUDCBK-OAHLLOKOSA-N 1 2 307.325 1.918 20 5 DDBDLO COc1cccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000359408214 410646660 /nfs/dbraw/zinc/64/66/60/410646660.db2.gz CMJHGBGEYLITHS-SECBINFHSA-N 1 2 316.317 1.614 20 5 DDBDLO COc1cccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000359408214 410646663 /nfs/dbraw/zinc/64/66/63/410646663.db2.gz CMJHGBGEYLITHS-SECBINFHSA-N 1 2 316.317 1.614 20 5 DDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)CCC2 ZINC000337334511 410719349 /nfs/dbraw/zinc/71/93/49/410719349.db2.gz KLENWKSATPAGRP-LLVKDONJSA-N 1 2 317.349 1.746 20 5 DDBDLO Nc1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ncc1[N+](=O)[O-] ZINC000301654560 410762417 /nfs/dbraw/zinc/76/24/17/410762417.db2.gz URPZQBZFJJROPY-JTQLQIEISA-N 1 2 302.294 1.020 20 5 DDBDLO O=C1CN(c2ccc(Nc3sccc3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000301925375 410831178 /nfs/dbraw/zinc/83/11/78/410831178.db2.gz GVXPQZNVGHVSKA-UHFFFAOYSA-N 1 2 319.346 1.731 20 5 DDBDLO O=[N+]([O-])c1cnc(NCc2ccccc2Cn2cc[nH+]c2)nc1 ZINC000348176344 410841081 /nfs/dbraw/zinc/84/10/81/410841081.db2.gz URICXTMJUMFOPI-UHFFFAOYSA-N 1 2 310.317 2.242 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330649729 410849211 /nfs/dbraw/zinc/84/92/11/410849211.db2.gz JCNJBPQMCNCYFR-MFKMUULPSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330649729 410849216 /nfs/dbraw/zinc/84/92/16/410849216.db2.gz JCNJBPQMCNCYFR-MFKMUULPSA-N 1 2 307.350 1.544 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000348434949 410964905 /nfs/dbraw/zinc/96/49/05/410964905.db2.gz WNESLQLPQAEMCR-UHFFFAOYSA-N 1 2 303.274 1.634 20 5 DDBDLO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000360156212 411079756 /nfs/dbraw/zinc/07/97/56/411079756.db2.gz CMLBGCGIGBJCBW-ZFWWWQNUSA-N 1 2 321.352 1.525 20 5 DDBDLO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000360156212 411079761 /nfs/dbraw/zinc/07/97/61/411079761.db2.gz CMLBGCGIGBJCBW-ZFWWWQNUSA-N 1 2 321.352 1.525 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344223110 411036881 /nfs/dbraw/zinc/03/68/81/411036881.db2.gz ZCWUPCSSJVFACL-UHFFFAOYSA-N 1 2 311.313 1.138 20 5 DDBDLO CN(C(=O)C[N@H+](CC(N)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000131266454 196155383 /nfs/dbraw/zinc/15/53/83/196155383.db2.gz ROXAPRXQYXUFQC-UHFFFAOYSA-N 1 2 322.365 1.143 20 5 DDBDLO CN(C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000131266454 196155384 /nfs/dbraw/zinc/15/53/84/196155384.db2.gz ROXAPRXQYXUFQC-UHFFFAOYSA-N 1 2 322.365 1.143 20 5 DDBDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000133897420 196344733 /nfs/dbraw/zinc/34/47/33/196344733.db2.gz HXRAKPRNAPZHQH-UHFFFAOYSA-N 1 2 308.338 1.119 20 5 DDBDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000133897420 196344735 /nfs/dbraw/zinc/34/47/35/196344735.db2.gz HXRAKPRNAPZHQH-UHFFFAOYSA-N 1 2 308.338 1.119 20 5 DDBDLO Cc1c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000134478828 196394653 /nfs/dbraw/zinc/39/46/53/196394653.db2.gz QSUNDLGMNHNHHH-KGLIPLIRSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000134478828 196394654 /nfs/dbraw/zinc/39/46/54/196394654.db2.gz QSUNDLGMNHNHHH-KGLIPLIRSA-N 1 2 320.349 1.450 20 5 DDBDLO COc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000374106979 418488420 /nfs/dbraw/zinc/48/84/20/418488420.db2.gz MQYZJMDRXIMSRF-BETUJISGSA-N 1 2 308.334 1.845 20 5 DDBDLO COc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000374106979 418488423 /nfs/dbraw/zinc/48/84/23/418488423.db2.gz MQYZJMDRXIMSRF-BETUJISGSA-N 1 2 308.334 1.845 20 5 DDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361361279 418633790 /nfs/dbraw/zinc/63/37/90/418633790.db2.gz FFFXDRAIZLCVTJ-JQWIXIFHSA-N 1 2 323.349 1.651 20 5 DDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361361279 418633794 /nfs/dbraw/zinc/63/37/94/418633794.db2.gz FFFXDRAIZLCVTJ-JQWIXIFHSA-N 1 2 323.349 1.651 20 5 DDBDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578866 418684807 /nfs/dbraw/zinc/68/48/07/418684807.db2.gz APKYGDGROFZUQU-WCQYABFASA-N 1 2 323.349 1.005 20 5 DDBDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361578866 418684810 /nfs/dbraw/zinc/68/48/10/418684810.db2.gz APKYGDGROFZUQU-WCQYABFASA-N 1 2 323.349 1.005 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000368113205 418691054 /nfs/dbraw/zinc/69/10/54/418691054.db2.gz PJSNFZXASITXDP-UHFFFAOYSA-N 1 2 317.305 1.848 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000365777582 418907904 /nfs/dbraw/zinc/90/79/04/418907904.db2.gz BBNNDXUSBURJMR-SECBINFHSA-N 1 2 317.305 1.059 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000354356297 306773549 /nfs/dbraw/zinc/77/35/49/306773549.db2.gz AWGBRCAPTUXOPW-UHFFFAOYSA-N 1 2 311.301 1.755 20 5 DDBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@@]3(CCO)CCOC3)[nH]c2c1 ZINC000428362457 419853591 /nfs/dbraw/zinc/85/35/91/419853591.db2.gz WFLHAQRIGXZCRF-CQSZACIVSA-N 1 2 306.322 1.094 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNc1cccc[nH+]1 ZINC000299658089 229307782 /nfs/dbraw/zinc/30/77/82/229307782.db2.gz UVTAVZZCTCXBLI-UHFFFAOYSA-N 1 2 318.337 1.113 20 5 DDBDLO Cc1cc(OCC(=O)N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000435676036 420275696 /nfs/dbraw/zinc/27/56/96/420275696.db2.gz QARCGMXYEOCIIR-UHFFFAOYSA-N 1 2 304.306 1.664 20 5 DDBDLO CO[C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448869307 420908282 /nfs/dbraw/zinc/90/82/82/420908282.db2.gz NTRKWANBIAZRBD-NSHDSACASA-N 1 2 318.333 1.935 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000456200645 421119219 /nfs/dbraw/zinc/11/92/19/421119219.db2.gz BBOJBVOXWOXNRI-BETUJISGSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000456200645 421119223 /nfs/dbraw/zinc/11/92/23/421119223.db2.gz BBOJBVOXWOXNRI-BETUJISGSA-N 1 2 319.361 1.496 20 5 DDBDLO C[C@H](CCO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450134290 421149173 /nfs/dbraw/zinc/14/91/73/421149173.db2.gz OSZUFQPAWYQBOB-SNVBAGLBSA-N 1 2 304.306 1.281 20 5 DDBDLO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2[nH+]ccn21 ZINC000456364657 421150662 /nfs/dbraw/zinc/15/06/62/421150662.db2.gz GCAHKSSEVZCBSI-XCBNKYQSSA-N 1 2 319.296 1.948 20 5 DDBDLO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000496801005 421319849 /nfs/dbraw/zinc/31/98/49/421319849.db2.gz YLYLKFPBQLOOOE-LLVKDONJSA-N 1 2 321.333 1.575 20 5 DDBDLO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000496801005 421319853 /nfs/dbraw/zinc/31/98/53/421319853.db2.gz YLYLKFPBQLOOOE-LLVKDONJSA-N 1 2 321.333 1.575 20 5 DDBDLO COC(=O)Cc1cc[nH+]c(NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000596181017 422369216 /nfs/dbraw/zinc/36/92/16/422369216.db2.gz YAODEQDHHKZWGX-UHFFFAOYSA-N 1 2 315.329 2.360 20 5 DDBDLO Nc1ccc(NCCCCNc2cccc[nH+]2)nc1[N+](=O)[O-] ZINC000590576600 422321258 /nfs/dbraw/zinc/32/12/58/422321258.db2.gz WPMKBVNAOPLXJG-UHFFFAOYSA-N 1 2 302.338 2.271 20 5 DDBDLO COC(=O)c1ccnc(NCCc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000598607340 422398380 /nfs/dbraw/zinc/39/83/80/422398380.db2.gz LNGHZNMTMMQOOI-UHFFFAOYSA-N 1 2 316.317 2.134 20 5 DDBDLO O=[N+]([O-])c1sccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000601115303 422415065 /nfs/dbraw/zinc/41/50/65/422415065.db2.gz FLNIXGBZTGWKHS-UHFFFAOYSA-N 1 2 323.378 1.929 20 5 DDBDLO COc1cc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])cc1OC ZINC000193880601 277832716 /nfs/dbraw/zinc/83/27/16/277832716.db2.gz UFGYMRZBUAHHNV-NSHDSACASA-N 1 2 322.365 1.024 20 5 DDBDLO O=C1NC[C@@H]2[C@@H]1CCC[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000337242392 280293621 /nfs/dbraw/zinc/29/36/21/280293621.db2.gz GQPYTLJXMCAPLU-TVQRCGJNSA-N 1 2 309.753 1.959 20 5 DDBDLO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000337242392 280293625 /nfs/dbraw/zinc/29/36/25/280293625.db2.gz GQPYTLJXMCAPLU-TVQRCGJNSA-N 1 2 309.753 1.959 20 5 DDBDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126810497 281253360 /nfs/dbraw/zinc/25/33/60/281253360.db2.gz FNAGNHWQRVKFMN-NSHDSACASA-N 1 2 322.365 1.380 20 5 DDBDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126810497 281253363 /nfs/dbraw/zinc/25/33/63/281253363.db2.gz FNAGNHWQRVKFMN-NSHDSACASA-N 1 2 322.365 1.380 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364086181 300342537 /nfs/dbraw/zinc/34/25/37/300342537.db2.gz AVVUVYBTXHFJLK-LLVKDONJSA-N 1 2 304.310 1.268 20 5 DDBDLO CCCCOC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365512690 300526179 /nfs/dbraw/zinc/52/61/79/300526179.db2.gz NCXDKDWUOAZZBX-UHFFFAOYSA-N 1 2 310.354 1.772 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000375915839 302016363 /nfs/dbraw/zinc/01/63/63/302016363.db2.gz GKZBRXUNKHXAQX-UHFFFAOYSA-N 1 2 306.297 1.825 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000375915839 302016366 /nfs/dbraw/zinc/01/63/66/302016366.db2.gz GKZBRXUNKHXAQX-UHFFFAOYSA-N 1 2 306.297 1.825 20 5 DDBDLO Cc1ccnc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286337388 302276140 /nfs/dbraw/zinc/27/61/40/302276140.db2.gz LUQKGLDBRZWLIM-CHWSQXEVSA-N 1 2 306.366 1.598 20 5 DDBDLO C[C@@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1=O ZINC000362085606 307013539 /nfs/dbraw/zinc/01/35/39/307013539.db2.gz GXVAZIACKSJWOJ-VXGBXAGGSA-N 1 2 312.391 1.815 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000364815876 307051973 /nfs/dbraw/zinc/05/19/73/307051973.db2.gz SXQAFWBMEAPAHN-VIFPVBQESA-N 1 2 301.306 1.309 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000364815876 307051974 /nfs/dbraw/zinc/05/19/74/307051974.db2.gz SXQAFWBMEAPAHN-VIFPVBQESA-N 1 2 301.306 1.309 20 5 DDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCn2cc[nH+]c2C1 ZINC000370883419 307138887 /nfs/dbraw/zinc/13/88/87/307138887.db2.gz KAHYFWKYEQLVMJ-ZDUSSCGKSA-N 1 2 314.345 1.713 20 5 DDBDLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000567164343 308073411 /nfs/dbraw/zinc/07/34/11/308073411.db2.gz BGVIFLQDNLEICK-LLVKDONJSA-N 1 2 322.365 1.298 20 5 DDBDLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000567164343 308073412 /nfs/dbraw/zinc/07/34/12/308073412.db2.gz BGVIFLQDNLEICK-LLVKDONJSA-N 1 2 322.365 1.298 20 5 DDBDLO CC(=O)NCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570926323 308185812 /nfs/dbraw/zinc/18/58/12/308185812.db2.gz USSXLWXJSGRLBI-UHFFFAOYSA-N 1 2 319.321 1.213 20 5 DDBDLO CC(=O)NCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570926323 308185813 /nfs/dbraw/zinc/18/58/13/308185813.db2.gz USSXLWXJSGRLBI-UHFFFAOYSA-N 1 2 319.321 1.213 20 5 DDBDLO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000578477650 308463863 /nfs/dbraw/zinc/46/38/63/308463863.db2.gz BDENTAJKQTUMGX-UHFFFAOYSA-N 1 2 307.350 1.762 20 5 DDBDLO CC(=O)N(C)C1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000128759732 696781744 /nfs/dbraw/zinc/78/17/44/696781744.db2.gz UIOSWOSJSLLNNJ-UHFFFAOYSA-N 1 2 309.370 1.308 20 5 DDBDLO Cc1cn(C[N@@H+](C)C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000171558863 697359660 /nfs/dbraw/zinc/35/96/60/697359660.db2.gz JYMLFYSALTUBOM-UHFFFAOYSA-N 1 2 302.334 1.907 20 5 DDBDLO Cc1cn(C[N@H+](C)C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000171558863 697359662 /nfs/dbraw/zinc/35/96/62/697359662.db2.gz JYMLFYSALTUBOM-UHFFFAOYSA-N 1 2 302.334 1.907 20 5 DDBDLO COc1ccc(OCC[NH+]2CC(O)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000773891293 697819068 /nfs/dbraw/zinc/81/90/68/697819068.db2.gz TZOKRQFYSJUEHX-UHFFFAOYSA-N 1 2 310.350 1.685 20 5 DDBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000776767708 698137681 /nfs/dbraw/zinc/13/76/81/698137681.db2.gz VLBHMVORECAZFZ-CQSZACIVSA-N 1 2 306.297 1.481 20 5 DDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000776767708 698137683 /nfs/dbraw/zinc/13/76/83/698137683.db2.gz VLBHMVORECAZFZ-CQSZACIVSA-N 1 2 306.297 1.481 20 5 DDBDLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782099486 698683311 /nfs/dbraw/zinc/68/33/11/698683311.db2.gz KCUQXOIQSMVACK-CQSZACIVSA-N 1 2 305.338 1.279 20 5 DDBDLO CC[N@H+](Cc1cn(C)nn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782099486 698683314 /nfs/dbraw/zinc/68/33/14/698683314.db2.gz KCUQXOIQSMVACK-CQSZACIVSA-N 1 2 305.338 1.279 20 5 DDBDLO Nc1cc(COC(=O)COc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000791693724 699648693 /nfs/dbraw/zinc/64/86/93/699648693.db2.gz IIYIGNWEVVKUNF-UHFFFAOYSA-N 1 2 303.274 1.694 20 5 DDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000794970243 699839095 /nfs/dbraw/zinc/83/90/95/699839095.db2.gz WTPFCDPRGJKJHD-MSRIBSCDSA-N 1 2 324.308 1.593 20 5 DDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000794970243 699839098 /nfs/dbraw/zinc/83/90/98/699839098.db2.gz WTPFCDPRGJKJHD-MSRIBSCDSA-N 1 2 324.308 1.593 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802244811 700389346 /nfs/dbraw/zinc/38/93/46/700389346.db2.gz UMIGFNMANCEFHH-NSHDSACASA-N 1 2 312.297 1.804 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802244811 700389353 /nfs/dbraw/zinc/38/93/53/700389353.db2.gz UMIGFNMANCEFHH-NSHDSACASA-N 1 2 312.297 1.804 20 5 DDBDLO Cc1nn(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000840187356 702019825 /nfs/dbraw/zinc/01/98/25/702019825.db2.gz VNUIJVWWPMYTAA-LBPRGKRZSA-N 1 2 309.370 1.355 20 5 DDBDLO Cc1nn(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000840187356 702019829 /nfs/dbraw/zinc/01/98/29/702019829.db2.gz VNUIJVWWPMYTAA-LBPRGKRZSA-N 1 2 309.370 1.355 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000811893998 702079335 /nfs/dbraw/zinc/07/93/35/702079335.db2.gz SPGVEDRIFGNYLZ-UHFFFAOYSA-N 1 2 323.740 1.981 20 5 DDBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000879335098 706653454 /nfs/dbraw/zinc/65/34/54/706653454.db2.gz PIDWYPYONXYPBT-NSHDSACASA-N 1 2 312.395 1.940 20 5 DDBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000879335098 706653455 /nfs/dbraw/zinc/65/34/55/706653455.db2.gz PIDWYPYONXYPBT-NSHDSACASA-N 1 2 312.395 1.940 20 5 DDBDLO C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)ccn1 ZINC000842495628 702728693 /nfs/dbraw/zinc/72/86/93/702728693.db2.gz RACDUFSROOTHEP-GHMZBOCLSA-N 1 2 319.321 1.205 20 5 DDBDLO Cc1noc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000851973854 703895013 /nfs/dbraw/zinc/89/50/13/703895013.db2.gz LNKUCUZHNPTFGV-ZDUSSCGKSA-N 1 2 321.337 1.560 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3ncncc3C2)cc1 ZINC000880596794 707033491 /nfs/dbraw/zinc/03/34/91/707033491.db2.gz AUBWFRHRLXQDDD-OAHLLOKOSA-N 1 2 300.318 1.477 20 5 DDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3ncncc3C2)cc1 ZINC000880596794 707033493 /nfs/dbraw/zinc/03/34/93/707033493.db2.gz AUBWFRHRLXQDDD-OAHLLOKOSA-N 1 2 300.318 1.477 20 5 DDBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000826708446 705853006 /nfs/dbraw/zinc/85/30/06/705853006.db2.gz BKXCHNSXPZZSFG-HNNXBMFYSA-N 1 2 312.329 1.906 20 5 DDBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000826708446 705853010 /nfs/dbraw/zinc/85/30/10/705853010.db2.gz BKXCHNSXPZZSFG-HNNXBMFYSA-N 1 2 312.329 1.906 20 5 DDBDLO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000877777972 706207778 /nfs/dbraw/zinc/20/77/78/706207778.db2.gz HVGIONZEFXVJMK-UHFFFAOYSA-N 1 2 317.267 1.705 20 5 DDBDLO O=[N+]([O-])c1ccccc1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883990968 708093522 /nfs/dbraw/zinc/09/35/22/708093522.db2.gz MYXJRWGMCBNNMQ-UHFFFAOYSA-N 1 2 317.349 1.191 20 5 DDBDLO CNc1c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898498480 708659603 /nfs/dbraw/zinc/65/96/03/708659603.db2.gz JFNOSADKWLRCNA-NSHDSACASA-N 1 2 324.356 1.800 20 5 DDBDLO CNc1c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898498480 708659605 /nfs/dbraw/zinc/65/96/05/708659605.db2.gz JFNOSADKWLRCNA-NSHDSACASA-N 1 2 324.356 1.800 20 5 DDBDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000899219327 709024087 /nfs/dbraw/zinc/02/40/87/709024087.db2.gz TXOIWUSQIDVXFW-ZDUSSCGKSA-N 1 2 316.317 1.412 20 5 DDBDLO C[N@H+]1CCO[C@H](C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000899219327 709024089 /nfs/dbraw/zinc/02/40/89/709024089.db2.gz TXOIWUSQIDVXFW-ZDUSSCGKSA-N 1 2 316.317 1.412 20 5 DDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921414335 713762545 /nfs/dbraw/zinc/76/25/45/713762545.db2.gz JRGBVZJBZNIITH-VIFPVBQESA-N 1 2 317.342 1.025 20 5 DDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921414335 713762547 /nfs/dbraw/zinc/76/25/47/713762547.db2.gz JRGBVZJBZNIITH-VIFPVBQESA-N 1 2 317.342 1.025 20 5 DDBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000931665483 714155515 /nfs/dbraw/zinc/15/55/15/714155515.db2.gz BEVCTSKVZSTEAS-SNVBAGLBSA-N 1 2 302.352 1.524 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCn3cccc3C2)c1 ZINC000932531943 714356827 /nfs/dbraw/zinc/35/68/27/714356827.db2.gz WRHYQTALSPRPKD-OAHLLOKOSA-N 1 2 317.345 1.652 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCn3cccc3C2)c1 ZINC000932531943 714356830 /nfs/dbraw/zinc/35/68/30/714356830.db2.gz WRHYQTALSPRPKD-OAHLLOKOSA-N 1 2 317.345 1.652 20 5 DDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C)cc2)C1 ZINC000950052685 720469177 /nfs/dbraw/zinc/46/91/77/720469177.db2.gz MKVUTHRWKVFLFD-HZPDHXFCSA-N 1 2 317.389 1.693 20 5 DDBDLO O=C1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC001169040401 762194671 /nfs/dbraw/zinc/19/46/71/762194671.db2.gz ZPWABYQKWPGLFX-WFASDCNBSA-N 1 2 321.352 1.920 20 5 DDBDLO O=C1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC001169040401 762194674 /nfs/dbraw/zinc/19/46/74/762194674.db2.gz ZPWABYQKWPGLFX-WFASDCNBSA-N 1 2 321.352 1.920 20 5 DDBDLO O=C1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccccn1 ZINC001169048309 762205355 /nfs/dbraw/zinc/20/53/55/762205355.db2.gz ULDSONJOMNBTGN-STQMWFEESA-N 1 2 304.350 1.176 20 5 DDBDLO O=C1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccccn1 ZINC001169048309 762205359 /nfs/dbraw/zinc/20/53/59/762205359.db2.gz ULDSONJOMNBTGN-STQMWFEESA-N 1 2 304.350 1.176 20 5 DDBDLO CCC(=O)NCC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001096259750 768799437 /nfs/dbraw/zinc/79/94/37/768799437.db2.gz ICNGSSCNNFOGSS-UHFFFAOYSA-N 1 2 320.393 1.551 20 5 DDBDLO O=C(Cc1c[nH]c[nH+]1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094150686 775493450 /nfs/dbraw/zinc/49/34/50/775493450.db2.gz VKEWNLAJMFXBBV-UHFFFAOYSA-N 1 2 307.285 1.228 20 5 DDBDLO O=C(CCc1c[nH]c[nH+]1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094223707 775546711 /nfs/dbraw/zinc/54/67/11/775546711.db2.gz WWTFOCMTMBWGSY-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO O=C(CCc1c[nH+]c[nH]1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094223707 775546719 /nfs/dbraw/zinc/54/67/19/775546719.db2.gz WWTFOCMTMBWGSY-UHFFFAOYSA-N 1 2 321.312 1.618 20 5 DDBDLO CC(C)(CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[N+](=O)[O-] ZINC001326483274 861400893 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1.650 20 5 DDBDLO COc1cccc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC001338084766 869791346 /nfs/dbraw/zinc/79/13/46/869791346.db2.gz SFRITYOSQOMIAC-WCQYABFASA-N 1 2 308.382 1.650 20 5 DDBDLO C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC001338771149 870157995 /nfs/dbraw/zinc/15/79/95/870157995.db2.gz ZGNIKQSYARFLRY-NSHDSACASA-N 1 2 316.317 1.642 20 5 DDBDLO O=C(OCC1COC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001345981099 873580090 /nfs/dbraw/zinc/58/00/90/873580090.db2.gz GOFQRJZQHWHMJP-UHFFFAOYSA-N 1 2 303.274 1.584 20 5 DDBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606850 896528068 /nfs/dbraw/zinc/52/80/68/896528068.db2.gz IQMCOVRGJGETKP-LSDHHAIUSA-N 1 2 324.402 1.571 20 5 DDBDLO CS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254606850 896528079 /nfs/dbraw/zinc/52/80/79/896528079.db2.gz IQMCOVRGJGETKP-LSDHHAIUSA-N 1 2 324.402 1.571 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 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O=C1NCCN1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332489649 235027327 /nfs/dbraw/zinc/02/73/27/235027327.db2.gz ZFPVMLFHMNUURT-UHFFFAOYSA-N 1 2 320.349 1.290 20 5 DDBDLO Cn1cc([C@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000494807585 235091649 /nfs/dbraw/zinc/09/16/49/235091649.db2.gz AFDRHOVVBMFNAB-LBPRGKRZSA-N 1 2 317.305 1.293 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000590598999 355126131 /nfs/dbraw/zinc/12/61/31/355126131.db2.gz BORUFFIOJOIPCP-NSHDSACASA-N 1 2 315.333 1.634 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593098336 355795691 /nfs/dbraw/zinc/79/56/91/355795691.db2.gz CYPQSFOYHHPGEB-IBILFNBTSA-N 1 2 324.358 1.087 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593098336 355795696 /nfs/dbraw/zinc/79/56/96/355795696.db2.gz CYPQSFOYHHPGEB-IBILFNBTSA-N 1 2 324.358 1.087 20 5 DDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCc2c[nH+]cn2C1 ZINC000593698943 355970857 /nfs/dbraw/zinc/97/08/57/355970857.db2.gz UKRJWTBRRVNSHI-LBPRGKRZSA-N 1 2 318.308 1.604 20 5 DDBDLO O=C1NCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594962808 356364750 /nfs/dbraw/zinc/36/47/50/356364750.db2.gz KJRVDCUKJMYSTA-LBPRGKRZSA-N 1 2 318.358 1.696 20 5 DDBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595294297 356436964 /nfs/dbraw/zinc/43/69/64/356436964.db2.gz LBBPTUWTKJFPHO-NSHDSACASA-N 1 2 310.354 1.724 20 5 DDBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595294297 356436966 /nfs/dbraw/zinc/43/69/66/356436966.db2.gz LBBPTUWTKJFPHO-NSHDSACASA-N 1 2 310.354 1.724 20 5 DDBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595427046 356488408 /nfs/dbraw/zinc/48/84/08/356488408.db2.gz WMGXBMFQHUTYSC-XHVZSJERSA-N 1 2 314.363 1.057 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000595470011 356505445 /nfs/dbraw/zinc/50/54/45/356505445.db2.gz YWIRRKBVZWSDEC-GFCCVEGCSA-N 1 2 304.306 1.940 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000595470011 356505450 /nfs/dbraw/zinc/50/54/50/356505450.db2.gz YWIRRKBVZWSDEC-GFCCVEGCSA-N 1 2 304.306 1.940 20 5 DDBDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1[N+](=O)[O-] ZINC000595470011 356505455 /nfs/dbraw/zinc/50/54/55/356505455.db2.gz YWIRRKBVZWSDEC-GFCCVEGCSA-N 1 2 304.306 1.940 20 5 DDBDLO Cc1noc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1[N+](=O)[O-] ZINC000595470011 356505460 /nfs/dbraw/zinc/50/54/60/356505460.db2.gz YWIRRKBVZWSDEC-GFCCVEGCSA-N 1 2 304.306 1.940 20 5 DDBDLO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ncns3)CC2)cc1 ZINC000595514850 356526755 /nfs/dbraw/zinc/52/67/55/356526755.db2.gz FQMUFZKNQDMHIH-UHFFFAOYSA-N 1 2 319.390 1.811 20 5 DDBDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595816809 356661869 /nfs/dbraw/zinc/66/18/69/356661869.db2.gz LMTAIZNPUMFRTF-HNNXBMFYSA-N 1 2 308.334 1.749 20 5 DDBDLO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595816809 356661872 /nfs/dbraw/zinc/66/18/72/356661872.db2.gz LMTAIZNPUMFRTF-HNNXBMFYSA-N 1 2 308.334 1.749 20 5 DDBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918041 356703996 /nfs/dbraw/zinc/70/39/96/356703996.db2.gz NYIILSOESMOLBM-JOYOIKCWSA-N 1 2 304.297 1.536 20 5 DDBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918041 356703999 /nfs/dbraw/zinc/70/39/99/356703999.db2.gz NYIILSOESMOLBM-JOYOIKCWSA-N 1 2 304.297 1.536 20 5 DDBDLO NC(=O)c1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000596112949 356775741 /nfs/dbraw/zinc/77/57/41/356775741.db2.gz XSHJBSMZGZELKU-GFCCVEGCSA-N 1 2 315.333 1.732 20 5 DDBDLO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1[nH+]ccn1C ZINC000596542744 356912272 /nfs/dbraw/zinc/91/22/72/356912272.db2.gz POQQWWSZYWEEQZ-VIFPVBQESA-N 1 2 324.362 1.905 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597992143 357409316 /nfs/dbraw/zinc/40/93/16/357409316.db2.gz BCJUCNYQJPRXHV-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597992143 357409321 /nfs/dbraw/zinc/40/93/21/357409321.db2.gz BCJUCNYQJPRXHV-QWHCGFSZSA-N 1 2 321.377 1.742 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000598459947 357590866 /nfs/dbraw/zinc/59/08/66/357590866.db2.gz PHYUBAAFVWIFSE-VIFPVBQESA-N 1 2 304.306 1.828 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598945649 357769975 /nfs/dbraw/zinc/76/99/75/357769975.db2.gz AHZYCUJVMVXIGD-LLVKDONJSA-N 1 2 315.333 1.578 20 5 DDBDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000598950908 357774441 /nfs/dbraw/zinc/77/44/41/357774441.db2.gz WJBWXMWPOMTICA-GFCCVEGCSA-N 1 2 300.318 1.845 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](O)[C@H](CO)C1 ZINC000599091059 357812715 /nfs/dbraw/zinc/81/27/15/357812715.db2.gz OBVPPFQSTINYSP-FZMZJTMJSA-N 1 2 303.318 1.323 20 5 DDBDLO O=[N+]([O-])c1cncc(Cl)c1NC1CC([NH+]2CCOCC2)C1 ZINC000599095397 357814320 /nfs/dbraw/zinc/81/43/20/357814320.db2.gz SRTOEUFPZDUCAO-UHFFFAOYSA-N 1 2 312.757 1.340 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)CC1(O)CCC1)CC2 ZINC000599354446 357906273 /nfs/dbraw/zinc/90/62/73/357906273.db2.gz VYPHVBOHHKJUEX-CYBMUJFWSA-N 1 2 307.350 1.014 20 5 DDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)CC1(O)CCC1)CC2 ZINC000599354446 357906278 /nfs/dbraw/zinc/90/62/78/357906278.db2.gz VYPHVBOHHKJUEX-CYBMUJFWSA-N 1 2 307.350 1.014 20 5 DDBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1[N+](=O)[O-] ZINC000599638862 358001600 /nfs/dbraw/zinc/00/16/00/358001600.db2.gz WPFLYFIFKKCGEY-SNVBAGLBSA-N 1 2 305.294 1.724 20 5 DDBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1[N+](=O)[O-] ZINC000599638862 358001602 /nfs/dbraw/zinc/00/16/02/358001602.db2.gz WPFLYFIFKKCGEY-SNVBAGLBSA-N 1 2 305.294 1.724 20 5 DDBDLO NC(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000264957371 283378082 /nfs/dbraw/zinc/37/80/82/283378082.db2.gz WSSVAZTWQUOAQZ-UHFFFAOYSA-N 1 2 315.333 1.732 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000602857699 359243900 /nfs/dbraw/zinc/24/39/00/359243900.db2.gz XXNDYVGQHFJHTO-OUAUKWLOSA-N 1 2 309.370 1.039 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000602857699 359243905 /nfs/dbraw/zinc/24/39/05/359243905.db2.gz XXNDYVGQHFJHTO-OUAUKWLOSA-N 1 2 309.370 1.039 20 5 DDBDLO C[C@@](O)(C[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CC1 ZINC000602802527 359201151 /nfs/dbraw/zinc/20/11/51/359201151.db2.gz SBMVPWCEHWZLTO-GDBMZVCRSA-N 1 2 321.377 1.260 20 5 DDBDLO C[C@@](O)(C[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CC1 ZINC000602802527 359201155 /nfs/dbraw/zinc/20/11/55/359201155.db2.gz SBMVPWCEHWZLTO-GDBMZVCRSA-N 1 2 321.377 1.260 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602930321 359300290 /nfs/dbraw/zinc/30/02/90/359300290.db2.gz DGRMLFKFUAQMHP-YPMHNXCESA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602930321 359300295 /nfs/dbraw/zinc/30/02/95/359300295.db2.gz DGRMLFKFUAQMHP-YPMHNXCESA-N 1 2 321.377 1.935 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000186923422 200031562 /nfs/dbraw/zinc/03/15/62/200031562.db2.gz HPFRYAQKVLYEIU-YGRLFVJLSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000186923422 200031564 /nfs/dbraw/zinc/03/15/64/200031564.db2.gz HPFRYAQKVLYEIU-YGRLFVJLSA-N 1 2 323.349 1.245 20 5 DDBDLO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000604399116 359747505 /nfs/dbraw/zinc/74/75/05/359747505.db2.gz LMMQXPTWENMKJA-QMMMGPOBSA-N 1 2 305.381 1.029 20 5 DDBDLO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000604399116 359747509 /nfs/dbraw/zinc/74/75/09/359747509.db2.gz LMMQXPTWENMKJA-QMMMGPOBSA-N 1 2 305.381 1.029 20 5 DDBDLO Cn1cc[nH+]c1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471335 360311886 /nfs/dbraw/zinc/31/18/86/360311886.db2.gz SMJXAESPWNNEML-UHFFFAOYSA-N 1 2 319.321 1.207 20 5 DDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611083608 360617481 /nfs/dbraw/zinc/61/74/81/360617481.db2.gz MWWBGPBTGPSZER-LLVKDONJSA-N 1 2 313.379 1.310 20 5 DDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611083608 360617486 /nfs/dbraw/zinc/61/74/86/360617486.db2.gz MWWBGPBTGPSZER-LLVKDONJSA-N 1 2 313.379 1.310 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)cn1 ZINC000611413062 360714313 /nfs/dbraw/zinc/71/43/13/360714313.db2.gz SIYDWPIMZTUKEY-UHFFFAOYSA-N 1 2 307.379 1.712 20 5 DDBDLO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191279989 200659638 /nfs/dbraw/zinc/65/96/38/200659638.db2.gz PYUJCLQVGQJZPX-QWRGUYRKSA-N 1 2 307.350 1.767 20 5 DDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611599309 360775054 /nfs/dbraw/zinc/77/50/54/360775054.db2.gz MDFFLKMTNFZSGU-LLVKDONJSA-N 1 2 316.321 1.477 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000613929951 361633445 /nfs/dbraw/zinc/63/34/45/361633445.db2.gz RUAJSEVQZWCXBY-UHFFFAOYSA-N 1 2 315.285 1.599 20 5 DDBDLO CCOCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000093312561 193229394 /nfs/dbraw/zinc/22/93/94/193229394.db2.gz VENZHYHAGNYSJN-UHFFFAOYSA-N 1 2 307.350 1.452 20 5 DDBDLO CCOCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000093312561 193229396 /nfs/dbraw/zinc/22/93/96/193229396.db2.gz VENZHYHAGNYSJN-UHFFFAOYSA-N 1 2 307.350 1.452 20 5 DDBDLO CC(C)S(=O)(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448187 217003543 /nfs/dbraw/zinc/00/35/43/217003543.db2.gz LQDUHTMEMRQYCD-UHFFFAOYSA-N 1 2 314.407 1.892 20 5 DDBDLO CC(C)S(=O)(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448187 217003544 /nfs/dbraw/zinc/00/35/44/217003544.db2.gz LQDUHTMEMRQYCD-UHFFFAOYSA-N 1 2 314.407 1.892 20 5 DDBDLO COc1cc(CNc2cccc(CO)[nH+]2)c([N+](=O)[O-])cc1O ZINC000351269305 284315039 /nfs/dbraw/zinc/31/50/39/284315039.db2.gz MFCLTYVZVASDGS-UHFFFAOYSA-N 1 2 305.290 1.808 20 5 DDBDLO CC(=O)c1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285066033 218276980 /nfs/dbraw/zinc/27/69/80/218276980.db2.gz PACJUJITKXJTST-CVEARBPZSA-N 1 2 319.361 1.707 20 5 DDBDLO CC(=O)c1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285066033 218276981 /nfs/dbraw/zinc/27/69/81/218276981.db2.gz PACJUJITKXJTST-CVEARBPZSA-N 1 2 319.361 1.707 20 5 DDBDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1O ZINC000341041461 251349595 /nfs/dbraw/zinc/34/95/95/251349595.db2.gz HCCJALLXNNDKJN-WCQYABFASA-N 1 2 307.350 1.544 20 5 DDBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1O ZINC000341041461 251349599 /nfs/dbraw/zinc/34/95/99/251349599.db2.gz HCCJALLXNNDKJN-WCQYABFASA-N 1 2 307.350 1.544 20 5 DDBDLO C[NH+](C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccco1 ZINC000269114018 207251160 /nfs/dbraw/zinc/25/11/60/207251160.db2.gz DXKBEMJXDNPVOL-CYBMUJFWSA-N 1 2 319.317 1.926 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C=O)CC1 ZINC000272894294 210283277 /nfs/dbraw/zinc/28/32/77/210283277.db2.gz JFDOTMNSRRKRCH-LBPRGKRZSA-N 1 2 320.349 1.086 20 5 DDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(C=O)CC1 ZINC000272894294 210283279 /nfs/dbraw/zinc/28/32/79/210283279.db2.gz JFDOTMNSRRKRCH-LBPRGKRZSA-N 1 2 320.349 1.086 20 5 DDBDLO CC(C)COC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352676271 285217557 /nfs/dbraw/zinc/21/75/57/285217557.db2.gz HKAOIRHYZMUVPO-HNNXBMFYSA-N 1 2 324.377 1.823 20 5 DDBDLO CC(C)COC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352676271 285217560 /nfs/dbraw/zinc/21/75/60/285217560.db2.gz HKAOIRHYZMUVPO-HNNXBMFYSA-N 1 2 324.377 1.823 20 5 DDBDLO Cc1cc(NC(=O)N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000153786364 196908431 /nfs/dbraw/zinc/90/84/31/196908431.db2.gz KKYAMHPRZBPTSZ-UHFFFAOYSA-N 1 2 322.365 1.699 20 5 DDBDLO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCOCC1 ZINC000332592846 533220434 /nfs/dbraw/zinc/22/04/34/533220434.db2.gz JYXXFYFHJKAVBB-LBPRGKRZSA-N 1 2 319.361 1.200 20 5 DDBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+](CCO)CCO ZINC000289785320 221225081 /nfs/dbraw/zinc/22/50/81/221225081.db2.gz LIWUMMPXXJKCRN-UHFFFAOYSA-N 1 2 309.149 1.688 20 5 DDBDLO COc1ccc(C[NH+]2CC(c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000459606932 533553783 /nfs/dbraw/zinc/55/37/83/533553783.db2.gz MZLPMYDTQBLZHS-UHFFFAOYSA-N 1 2 304.306 1.894 20 5 DDBDLO COCC(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000128667187 407560769 /nfs/dbraw/zinc/56/07/69/407560769.db2.gz GFBFVCPFIAMMCS-GQCTYLIASA-N 1 2 319.361 1.399 20 5 DDBDLO Cc1cccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000047161953 407071067 /nfs/dbraw/zinc/07/10/67/407071067.db2.gz KJPPKXWEMMGNCV-GFCCVEGCSA-N 1 2 307.350 1.354 20 5 DDBDLO Cn1ccnc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124624009 407364468 /nfs/dbraw/zinc/36/44/68/407364468.db2.gz VJACJFALJALWKF-ZDUSSCGKSA-N 1 2 320.349 1.200 20 5 DDBDLO Cn1ccnc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124624009 407364469 /nfs/dbraw/zinc/36/44/69/407364469.db2.gz VJACJFALJALWKF-ZDUSSCGKSA-N 1 2 320.349 1.200 20 5 DDBDLO CC1(C)C[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000170629319 407460439 /nfs/dbraw/zinc/46/04/39/407460439.db2.gz QXZPWVMVDZGUHG-UHFFFAOYSA-N 1 2 307.350 1.435 20 5 DDBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000170629319 407460443 /nfs/dbraw/zinc/46/04/43/407460443.db2.gz QXZPWVMVDZGUHG-UHFFFAOYSA-N 1 2 307.350 1.435 20 5 DDBDLO CCN1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000186527498 407691204 /nfs/dbraw/zinc/69/12/04/407691204.db2.gz QQHOYVUTRLTBQG-AWEZNQCLSA-N 1 2 321.377 1.571 20 5 DDBDLO CCN1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000186527498 407691208 /nfs/dbraw/zinc/69/12/08/407691208.db2.gz QQHOYVUTRLTBQG-AWEZNQCLSA-N 1 2 321.377 1.571 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000153098466 407752339 /nfs/dbraw/zinc/75/23/39/407752339.db2.gz RHMFVZQBCJPCIV-GFCCVEGCSA-N 1 2 323.349 1.389 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000153098466 407752345 /nfs/dbraw/zinc/75/23/45/407752345.db2.gz RHMFVZQBCJPCIV-GFCCVEGCSA-N 1 2 323.349 1.389 20 5 DDBDLO COc1cc(OCC(=O)NCc2[nH]c[nH+]c2C)ccc1[N+](=O)[O-] ZINC000267194039 407784666 /nfs/dbraw/zinc/78/46/66/407784666.db2.gz KOIKRUFSPTZYRN-UHFFFAOYSA-N 1 2 320.305 1.330 20 5 DDBDLO CN(CC[NH+]1CCOCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153682369 407878769 /nfs/dbraw/zinc/87/87/69/407878769.db2.gz VBGSXCWASFBNGU-UHFFFAOYSA-N 1 2 300.746 1.412 20 5 DDBDLO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000187371411 407848857 /nfs/dbraw/zinc/84/88/57/407848857.db2.gz FHUIXFRKYGGYCI-MFKMUULPSA-N 1 2 307.350 1.689 20 5 DDBDLO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000187371411 407848860 /nfs/dbraw/zinc/84/88/60/407848860.db2.gz FHUIXFRKYGGYCI-MFKMUULPSA-N 1 2 307.350 1.689 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+]CCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272510549 407955766 /nfs/dbraw/zinc/95/57/66/407955766.db2.gz IZRMTUFJFHBNHM-AWEZNQCLSA-N 1 2 320.349 1.016 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000263864673 408293310 /nfs/dbraw/zinc/29/33/10/408293310.db2.gz KHCWPXPNOGRVEZ-VOTSOKGWSA-N 1 2 319.361 1.399 20 5 DDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131418731 162014945 /nfs/dbraw/zinc/01/49/45/162014945.db2.gz QLPQCSXLGNJRGL-ZDUSSCGKSA-N 1 2 314.345 1.713 20 5 DDBDLO Cc1c(CC(=O)N[C@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000269619135 408362241 /nfs/dbraw/zinc/36/22/41/408362241.db2.gz MMYWDUMAIFMJSP-LLVKDONJSA-N 1 2 302.334 1.847 20 5 DDBDLO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000159270866 408398239 /nfs/dbraw/zinc/39/82/39/408398239.db2.gz WXLPOUXBULBKGA-UHFFFAOYSA-N 1 2 307.350 1.762 20 5 DDBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000160331124 408469872 /nfs/dbraw/zinc/46/98/72/408469872.db2.gz JDRQNBNBJVGFDI-SNVBAGLBSA-N 1 2 309.322 1.062 20 5 DDBDLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000160331124 408469878 /nfs/dbraw/zinc/46/98/78/408469878.db2.gz JDRQNBNBJVGFDI-SNVBAGLBSA-N 1 2 309.322 1.062 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274965705 408575421 /nfs/dbraw/zinc/57/54/21/408575421.db2.gz JMNXKIKAQUZIKH-TUKIKUTGSA-N 1 2 322.361 1.902 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274965705 408575426 /nfs/dbraw/zinc/57/54/26/408575426.db2.gz JMNXKIKAQUZIKH-TUKIKUTGSA-N 1 2 322.361 1.902 20 5 DDBDLO COC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000192807215 408652601 /nfs/dbraw/zinc/65/26/01/408652601.db2.gz ZXZLGKZDNUDQCY-UHFFFAOYSA-N 1 2 309.322 1.337 20 5 DDBDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000192807215 408652608 /nfs/dbraw/zinc/65/26/08/408652608.db2.gz ZXZLGKZDNUDQCY-UHFFFAOYSA-N 1 2 309.322 1.337 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265625098 408717070 /nfs/dbraw/zinc/71/70/70/408717070.db2.gz CRTKXHGKODBHIE-MFKMUULPSA-N 1 2 320.349 1.084 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265625098 408717073 /nfs/dbraw/zinc/71/70/73/408717073.db2.gz CRTKXHGKODBHIE-MFKMUULPSA-N 1 2 320.349 1.084 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249573756 408743963 /nfs/dbraw/zinc/74/39/63/408743963.db2.gz OYIFHOCZWLOGNA-ZWNOBZJWSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249573756 408743965 /nfs/dbraw/zinc/74/39/65/408743965.db2.gz OYIFHOCZWLOGNA-ZWNOBZJWSA-N 1 2 323.349 1.245 20 5 DDBDLO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185216492 408780916 /nfs/dbraw/zinc/78/09/16/408780916.db2.gz KZDOYIMKOBVUCI-LBPRGKRZSA-N 1 2 323.349 1.141 20 5 DDBDLO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185216492 408780920 /nfs/dbraw/zinc/78/09/20/408780920.db2.gz KZDOYIMKOBVUCI-LBPRGKRZSA-N 1 2 323.349 1.141 20 5 DDBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276351153 408841209 /nfs/dbraw/zinc/84/12/09/408841209.db2.gz WKHKNXVXGVCJMN-CQSZACIVSA-N 1 2 307.325 1.977 20 5 DDBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276351153 408841211 /nfs/dbraw/zinc/84/12/11/408841211.db2.gz WKHKNXVXGVCJMN-CQSZACIVSA-N 1 2 307.325 1.977 20 5 DDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292152643 408990548 /nfs/dbraw/zinc/99/05/48/408990548.db2.gz KGJBWWOTHPHOBG-LBPRGKRZSA-N 1 2 313.379 1.061 20 5 DDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292152643 408990551 /nfs/dbraw/zinc/99/05/51/408990551.db2.gz KGJBWWOTHPHOBG-LBPRGKRZSA-N 1 2 313.379 1.061 20 5 DDBDLO Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000277988491 409046165 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Cc1noc([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000332080991 409857779 /nfs/dbraw/zinc/85/77/79/409857779.db2.gz KYQMYZHVOOLFJM-JTQLQIEISA-N 1 2 304.306 1.981 20 5 DDBDLO Cc1noc([C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000332080991 409857786 /nfs/dbraw/zinc/85/77/86/409857786.db2.gz KYQMYZHVOOLFJM-JTQLQIEISA-N 1 2 304.306 1.981 20 5 DDBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCn2c[nH+]cc2C1 ZINC000343122950 410164895 /nfs/dbraw/zinc/16/48/95/410164895.db2.gz RJKFUYVOVOOWFA-NSHDSACASA-N 1 2 300.318 1.670 20 5 DDBDLO COC(=O)c1cc(C(=O)NCc2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000343309642 410336497 /nfs/dbraw/zinc/33/64/97/410336497.db2.gz MNVFOCFIROFJMB-UHFFFAOYSA-N 1 2 318.289 1.045 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000298549080 410287871 /nfs/dbraw/zinc/28/78/71/410287871.db2.gz FPMJAOMLQPRRTC-ZDUSSCGKSA-N 1 2 312.391 1.851 20 5 DDBDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000298549080 410287875 /nfs/dbraw/zinc/28/78/75/410287875.db2.gz FPMJAOMLQPRRTC-ZDUSSCGKSA-N 1 2 312.391 1.851 20 5 DDBDLO Cc1nn(CCC(=O)N(C)Cc2[nH]cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000347496762 410586719 /nfs/dbraw/zinc/58/67/19/410586719.db2.gz MTKKYDIVGRLDIY-UHFFFAOYSA-N 1 2 306.326 1.180 20 5 DDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 ZINC000347645592 410648092 /nfs/dbraw/zinc/64/80/92/410648092.db2.gz MOYGZLBDDKSOBV-CYBMUJFWSA-N 1 2 322.365 1.139 20 5 DDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 ZINC000347645592 410648102 /nfs/dbraw/zinc/64/81/02/410648102.db2.gz MOYGZLBDDKSOBV-CYBMUJFWSA-N 1 2 322.365 1.139 20 5 DDBDLO COc1cc[nH+]cc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000343827016 410731449 /nfs/dbraw/zinc/73/14/49/410731449.db2.gz CNUGQDFGEQVLKO-UHFFFAOYSA-N 1 2 313.269 1.795 20 5 DDBDLO Cc1ccc(Cc2noc(-c3c([N+](=O)[O-])cnn3C)n2)c[nH+]1 ZINC000356144877 410860767 /nfs/dbraw/zinc/86/07/67/410860767.db2.gz ZZIANSVRYXNXIO-UHFFFAOYSA-N 1 2 300.278 1.673 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000348278940 410892646 /nfs/dbraw/zinc/89/26/46/410892646.db2.gz OUDSSNOWXIXZNS-UHFFFAOYSA-N 1 2 320.280 1.650 20 5 DDBDLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344151720 410993494 /nfs/dbraw/zinc/99/34/94/410993494.db2.gz GXRVSAADHGERIV-NEPJUHHUSA-N 1 2 307.350 1.626 20 5 DDBDLO C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344151720 410993497 /nfs/dbraw/zinc/99/34/97/410993497.db2.gz GXRVSAADHGERIV-NEPJUHHUSA-N 1 2 307.350 1.626 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000331235519 411033760 /nfs/dbraw/zinc/03/37/60/411033760.db2.gz LTVFOJWFZCCPEC-CYBMUJFWSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000331235519 411033764 /nfs/dbraw/zinc/03/37/64/411033764.db2.gz LTVFOJWFZCCPEC-CYBMUJFWSA-N 1 2 307.350 1.713 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000421752954 226773047 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O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000569167158 304339280 /nfs/dbraw/zinc/33/92/80/304339280.db2.gz QUENTRCVUDZEGQ-NOZJJQNGSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000569167158 304339282 /nfs/dbraw/zinc/33/92/82/304339282.db2.gz QUENTRCVUDZEGQ-NOZJJQNGSA-N 1 2 300.742 1.423 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000076347144 406966036 /nfs/dbraw/zinc/96/60/36/406966036.db2.gz DVBIMXGORCVPCA-LBPRGKRZSA-N 1 2 323.349 1.653 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000076347144 406966038 /nfs/dbraw/zinc/96/60/38/406966038.db2.gz DVBIMXGORCVPCA-LBPRGKRZSA-N 1 2 323.349 1.653 20 5 DDBDLO CS(=O)(=O)c1cccc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000089619910 407142059 /nfs/dbraw/zinc/14/20/59/407142059.db2.gz AJJGIGGYNBBSPI-UHFFFAOYSA-N 1 2 310.335 1.307 20 5 DDBDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000123427831 407328676 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Cc1cccc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000170864175 407538898 /nfs/dbraw/zinc/53/88/98/407538898.db2.gz QRSKYSZQBVEUPO-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO CC(C)N1CC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153122293 407760894 /nfs/dbraw/zinc/76/08/94/407760894.db2.gz XTDAZFGSTAOHPI-OAHLLOKOSA-N 1 2 303.362 1.962 20 5 DDBDLO CC(C)N1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153122293 407760899 /nfs/dbraw/zinc/76/08/99/407760899.db2.gz XTDAZFGSTAOHPI-OAHLLOKOSA-N 1 2 303.362 1.962 20 5 DDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000134551581 407906200 /nfs/dbraw/zinc/90/62/00/407906200.db2.gz QVDJLPJWGNBIRI-UHFFFAOYSA-N 1 2 324.362 1.502 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187391832 407850669 /nfs/dbraw/zinc/85/06/69/407850669.db2.gz NDGKGVRBLRMTFZ-MFKMUULPSA-N 1 2 307.350 1.689 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187391832 407850676 /nfs/dbraw/zinc/85/06/76/407850676.db2.gz NDGKGVRBLRMTFZ-MFKMUULPSA-N 1 2 307.350 1.689 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCOCC1 ZINC000242953852 407918972 /nfs/dbraw/zinc/91/89/72/407918972.db2.gz HGNOWBVYCAEPCP-UHFFFAOYSA-N 1 2 324.337 1.057 20 5 DDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC(F)(F)C[NH2+]1 ZINC000263008382 408000820 /nfs/dbraw/zinc/00/08/20/408000820.db2.gz PMQKBNLPYDKURB-SNVBAGLBSA-N 1 2 314.292 1.120 20 5 DDBDLO Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000263704014 408214530 /nfs/dbraw/zinc/21/45/30/408214530.db2.gz JBADGGIBDLHQEG-VIFPVBQESA-N 1 2 304.310 1.717 20 5 DDBDLO Cc1n[nH]c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000263704014 408214536 /nfs/dbraw/zinc/21/45/36/408214536.db2.gz JBADGGIBDLHQEG-VIFPVBQESA-N 1 2 304.310 1.717 20 5 DDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274202879 408323170 /nfs/dbraw/zinc/32/31/70/408323170.db2.gz RTRYAHJMVZFLTM-AWEZNQCLSA-N 1 2 312.391 1.646 20 5 DDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274202879 408323173 /nfs/dbraw/zinc/32/31/73/408323173.db2.gz RTRYAHJMVZFLTM-AWEZNQCLSA-N 1 2 312.391 1.646 20 5 DDBDLO CCc1nnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000159174178 408389024 /nfs/dbraw/zinc/38/90/24/408389024.db2.gz JUCJVYZQIMVJMG-JTQLQIEISA-N 1 2 317.353 1.357 20 5 DDBDLO CCc1nnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000159174178 408389026 /nfs/dbraw/zinc/38/90/26/408389026.db2.gz JUCJVYZQIMVJMG-JTQLQIEISA-N 1 2 317.353 1.357 20 5 DDBDLO COC(=O)c1cnc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000276499264 408870991 /nfs/dbraw/zinc/87/09/91/408870991.db2.gz BYZRFSUFFQJBOT-UHFFFAOYSA-N 1 2 305.294 1.146 20 5 DDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncccn3)C2)nc1 ZINC000192107602 163217460 /nfs/dbraw/zinc/21/74/60/163217460.db2.gz XWCMSSAZKLJCRL-LLVKDONJSA-N 1 2 300.322 1.466 20 5 DDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncccn3)C2)nc1 ZINC000192107602 163217463 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20 5 DDBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000293663325 409156445 /nfs/dbraw/zinc/15/64/45/409156445.db2.gz MWAXCWODQCAEON-LLVKDONJSA-N 1 2 318.333 1.623 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280243520 409277119 /nfs/dbraw/zinc/27/71/19/409277119.db2.gz BRLAZSODNKLGMF-MLGOLLRUSA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280243520 409277121 /nfs/dbraw/zinc/27/71/21/409277121.db2.gz BRLAZSODNKLGMF-MLGOLLRUSA-N 1 2 322.361 1.983 20 5 DDBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000280656714 409396208 /nfs/dbraw/zinc/39/62/08/409396208.db2.gz AHKJSJJVDKQHTP-UHFFFAOYSA-N 1 2 305.334 1.468 20 5 DDBDLO C[C@H](O)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000285450121 409449721 /nfs/dbraw/zinc/44/97/21/409449721.db2.gz XXWAKOHSFZJZAI-IUCAKERBSA-N 1 2 304.293 1.437 20 5 DDBDLO C[C@H](O)C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000285450121 409449725 /nfs/dbraw/zinc/44/97/25/409449725.db2.gz XXWAKOHSFZJZAI-IUCAKERBSA-N 1 2 304.293 1.437 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361425322 164154036 /nfs/dbraw/zinc/15/40/36/164154036.db2.gz DZDCHSIDENOSEB-CYBMUJFWSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000361425322 164154038 /nfs/dbraw/zinc/15/40/38/164154038.db2.gz DZDCHSIDENOSEB-CYBMUJFWSA-N 1 2 323.349 1.387 20 5 DDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000408082686 164221803 /nfs/dbraw/zinc/22/18/03/164221803.db2.gz HBMQDLVNXWHTPD-MNOVXSKESA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000408082686 164221805 /nfs/dbraw/zinc/22/18/05/164221805.db2.gz HBMQDLVNXWHTPD-MNOVXSKESA-N 1 2 313.379 1.308 20 5 DDBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000337982216 409627814 /nfs/dbraw/zinc/62/78/14/409627814.db2.gz 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C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCNC1=O ZINC000355197352 410372251 /nfs/dbraw/zinc/37/22/51/410372251.db2.gz LQMBXWNWBRERGI-JTQLQIEISA-N 1 2 315.276 1.517 20 5 DDBDLO C[C@H](C(=O)NCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1F ZINC000355259900 410402656 /nfs/dbraw/zinc/40/26/56/410402656.db2.gz WXSFGTJHCRMSHQ-VIFPVBQESA-N 1 2 306.297 1.887 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132565 410805529 /nfs/dbraw/zinc/80/55/29/410805529.db2.gz DUODRABNBGBNTN-UHIISALHSA-N 1 2 310.375 1.775 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132565 410805538 /nfs/dbraw/zinc/80/55/38/410805538.db2.gz DUODRABNBGBNTN-UHIISALHSA-N 1 2 310.375 1.775 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340207262 410750495 /nfs/dbraw/zinc/75/04/95/410750495.db2.gz WWEIQJHDJXQJHI-UHFFFAOYSA-N 1 2 313.317 1.967 20 5 DDBDLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330633185 410841620 /nfs/dbraw/zinc/84/16/20/410841620.db2.gz RYBTYFTZWNQKKX-JTQLQIEISA-N 1 2 319.770 1.111 20 5 DDBDLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330633185 410841625 /nfs/dbraw/zinc/84/16/25/410841625.db2.gz RYBTYFTZWNQKKX-JTQLQIEISA-N 1 2 319.770 1.111 20 5 DDBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301880078 410818124 /nfs/dbraw/zinc/81/81/24/410818124.db2.gz ZPOCUQNRVJIENQ-UHFFFAOYSA-N 1 2 301.306 1.447 20 5 DDBDLO Cc1nc(N2CC[NH+](Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000296674500 226111412 /nfs/dbraw/zinc/11/14/12/226111412.db2.gz ZTLKWGJBHDYQDL-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000373803670 418461304 /nfs/dbraw/zinc/46/13/04/418461304.db2.gz FAVJZPNZWXGHBT-BXUZGUMPSA-N 1 2 310.354 1.098 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000373803670 418461308 /nfs/dbraw/zinc/46/13/08/418461308.db2.gz FAVJZPNZWXGHBT-BXUZGUMPSA-N 1 2 310.354 1.098 20 5 DDBDLO COc1cccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000195426921 222201258 /nfs/dbraw/zinc/20/12/58/222201258.db2.gz VVVGCUAVMLTMJJ-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000361277475 418617423 /nfs/dbraw/zinc/61/74/23/418617423.db2.gz BHRNSGRLDSUAJH-SNVBAGLBSA-N 1 2 315.333 1.404 20 5 DDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000361277475 418617426 /nfs/dbraw/zinc/61/74/26/418617426.db2.gz BHRNSGRLDSUAJH-SNVBAGLBSA-N 1 2 315.333 1.404 20 5 DDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000361277474 418617719 /nfs/dbraw/zinc/61/77/19/418617719.db2.gz BHRNSGRLDSUAJH-JTQLQIEISA-N 1 2 315.333 1.404 20 5 DDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000361277474 418617722 /nfs/dbraw/zinc/61/77/22/418617722.db2.gz BHRNSGRLDSUAJH-JTQLQIEISA-N 1 2 315.333 1.404 20 5 DDBDLO CN(C)C(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000411915238 419483808 /nfs/dbraw/zinc/48/38/08/419483808.db2.gz RXOXWTJLZNEXOV-UHFFFAOYSA-N 1 2 303.322 1.182 20 5 DDBDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429193450 419984581 /nfs/dbraw/zinc/98/45/81/419984581.db2.gz UYFIQDGNHSOLMN-UHFFFAOYSA-N 1 2 308.338 1.039 20 5 DDBDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429193450 419984585 /nfs/dbraw/zinc/98/45/85/419984585.db2.gz UYFIQDGNHSOLMN-UHFFFAOYSA-N 1 2 308.338 1.039 20 5 DDBDLO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)O1 ZINC000439295958 420505711 /nfs/dbraw/zinc/50/57/11/420505711.db2.gz OKTXPPOFOXKUJB-AAEUAGOBSA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)O1 ZINC000439295958 420505713 /nfs/dbraw/zinc/50/57/13/420505713.db2.gz OKTXPPOFOXKUJB-AAEUAGOBSA-N 1 2 310.350 1.839 20 5 DDBDLO CC[C@H](CO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814793 420804174 /nfs/dbraw/zinc/80/41/74/420804174.db2.gz BNDGNPWPYLOYJL-CYBMUJFWSA-N 1 2 309.366 1.610 20 5 DDBDLO CO[C@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447815794 420804810 /nfs/dbraw/zinc/80/48/10/420804810.db2.gz HOKNUVLVQNGMFJ-GFCCVEGCSA-N 1 2 309.366 1.874 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]CC1(F)F ZINC000449655630 421047993 /nfs/dbraw/zinc/04/79/93/421047993.db2.gz ZPUWTNNCTOYOQI-LLVKDONJSA-N 1 2 313.304 1.498 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)c2[nH+]ccn21 ZINC000456435710 421167460 /nfs/dbraw/zinc/16/74/60/421167460.db2.gz VVAOUXNQEGKYOI-XVKPBYJWSA-N 1 2 302.294 1.204 20 5 DDBDLO CNC(=O)c1ccc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000523463092 421239697 /nfs/dbraw/zinc/23/96/97/421239697.db2.gz JZIUMDOCIQKYOX-NSHDSACASA-N 1 2 322.365 1.087 20 5 DDBDLO CNC(=O)c1ccc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000523463092 421239701 /nfs/dbraw/zinc/23/97/01/421239701.db2.gz JZIUMDOCIQKYOX-NSHDSACASA-N 1 2 322.365 1.087 20 5 DDBDLO C[C@H](O)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450539738 421207462 /nfs/dbraw/zinc/20/74/62/421207462.db2.gz MASSBQNSCWGXOF-QWRGUYRKSA-N 1 2 318.333 1.670 20 5 DDBDLO O=C(NCC[NH+]1CCCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505375015 421416901 /nfs/dbraw/zinc/41/69/01/421416901.db2.gz KRAQVNFUEAHWPT-UHFFFAOYSA-N 1 2 307.350 1.906 20 5 DDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000530587840 421608090 /nfs/dbraw/zinc/60/80/90/421608090.db2.gz ACYKWFBKSYVCNT-UHFFFAOYSA-N 1 2 324.381 1.116 20 5 DDBDLO Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])cn3C)[nH+]c12 ZINC000517682144 421623036 /nfs/dbraw/zinc/62/30/36/421623036.db2.gz KZAQDFZQOIUDPS-UHFFFAOYSA-N 1 2 313.317 1.819 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581703375 422027968 /nfs/dbraw/zinc/02/79/68/422027968.db2.gz BQWVYUYVMXARQW-STQMWFEESA-N 1 2 321.377 1.535 20 5 DDBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CC(C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000583497420 422173825 /nfs/dbraw/zinc/17/38/25/422173825.db2.gz NFFWMRRNYNGFIH-SNVBAGLBSA-N 1 2 320.349 1.037 20 5 DDBDLO CC(C)Oc1nc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000594540345 422350662 /nfs/dbraw/zinc/35/06/62/422350662.db2.gz HHKJPVJNRIKEFL-UHFFFAOYSA-N 1 2 305.338 2.476 20 5 DDBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCn3c[nH+]cc3C2)s1 ZINC000290688676 275034199 /nfs/dbraw/zinc/03/41/99/275034199.db2.gz MDXSZZYGWMVRNO-UHFFFAOYSA-N 1 2 302.319 1.816 20 5 DDBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000449781304 276052902 /nfs/dbraw/zinc/05/29/02/276052902.db2.gz ZPUYBULBTRZHDB-ZDUSSCGKSA-N 1 2 321.377 1.794 20 5 DDBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000449781304 276052904 /nfs/dbraw/zinc/05/29/04/276052904.db2.gz ZPUYBULBTRZHDB-ZDUSSCGKSA-N 1 2 321.377 1.794 20 5 DDBDLO CS(=O)(=O)c1cccnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000487213630 278121438 /nfs/dbraw/zinc/12/14/38/278121438.db2.gz BMAWOVNBAGPACF-UHFFFAOYSA-N 1 2 321.358 1.683 20 5 DDBDLO O=C(NCc1[nH]cc[nH+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000114124837 281072987 /nfs/dbraw/zinc/07/29/87/281072987.db2.gz BLGAXUYNBLZBES-UHFFFAOYSA-N 1 2 312.289 1.434 20 5 DDBDLO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280925354 300216877 /nfs/dbraw/zinc/21/68/77/300216877.db2.gz JXOROYGUVSMSIP-JQWIXIFHSA-N 1 2 307.350 1.713 20 5 DDBDLO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280925354 300216881 /nfs/dbraw/zinc/21/68/81/300216881.db2.gz JXOROYGUVSMSIP-JQWIXIFHSA-N 1 2 307.350 1.713 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370044954 301264568 /nfs/dbraw/zinc/26/45/68/301264568.db2.gz IQJTUBVOSLOXFX-GFCCVEGCSA-N 1 2 321.381 1.305 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370044954 301264570 /nfs/dbraw/zinc/26/45/70/301264570.db2.gz IQJTUBVOSLOXFX-GFCCVEGCSA-N 1 2 321.381 1.305 20 5 DDBDLO CCn1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535072214 303344154 /nfs/dbraw/zinc/34/41/54/303344154.db2.gz IXMFACWODSLDJK-UHFFFAOYSA-N 1 2 316.365 1.528 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3ccncc3[N+](=O)[O-])CC2)cn1 ZINC000357616024 306899174 /nfs/dbraw/zinc/89/91/74/306899174.db2.gz WYHUDSSRGASZKJ-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372111603 307163692 /nfs/dbraw/zinc/16/36/92/307163692.db2.gz VKUZVKMNESSPGO-GFCCVEGCSA-N 1 2 323.324 1.281 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000374032045 307199833 /nfs/dbraw/zinc/19/98/33/307199833.db2.gz MLJITCYBNBRLPN-UHFFFAOYSA-N 1 2 309.322 1.264 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000374032045 307199834 /nfs/dbraw/zinc/19/98/34/307199834.db2.gz MLJITCYBNBRLPN-UHFFFAOYSA-N 1 2 309.322 1.264 20 5 DDBDLO Cc1[nH]ncc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582355296 326017302 /nfs/dbraw/zinc/01/73/02/326017302.db2.gz FTTHJJAIWXMRMU-LBPRGKRZSA-N 1 2 306.322 1.156 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610772047 483937453 /nfs/dbraw/zinc/93/74/53/483937453.db2.gz OXMNYMFTXQWGOH-LBPRGKRZSA-N 1 2 301.306 1.664 20 5 DDBDLO NC(=O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413024409 534451825 /nfs/dbraw/zinc/45/18/25/534451825.db2.gz DLTVFSVWVXYWHT-NSHDSACASA-N 1 2 300.318 1.845 20 5 DDBDLO O=C(NN1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000127314071 696770519 /nfs/dbraw/zinc/77/05/19/696770519.db2.gz SYQFGBUTALGMIZ-UHFFFAOYSA-N 1 2 315.333 1.911 20 5 DDBDLO O=C(OCCC[NH+]1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780076316 698486615 /nfs/dbraw/zinc/48/66/15/698486615.db2.gz OYNHYPUHBPNVNO-UHFFFAOYSA-N 1 2 310.306 1.180 20 5 DDBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000784001858 698901870 /nfs/dbraw/zinc/90/18/70/698901870.db2.gz QHONGYPGJOQXJO-LBPRGKRZSA-N 1 2 310.354 1.266 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000444658024 699174443 /nfs/dbraw/zinc/17/44/43/699174443.db2.gz FDZLVZIJAAGTOO-SNVBAGLBSA-N 1 2 318.337 1.082 20 5 DDBDLO COc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788084091 699276561 /nfs/dbraw/zinc/27/65/61/699276561.db2.gz QIVHZWMYHLLRQP-NSHDSACASA-N 1 2 312.297 1.804 20 5 DDBDLO COc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788084091 699276563 /nfs/dbraw/zinc/27/65/63/699276563.db2.gz QIVHZWMYHLLRQP-NSHDSACASA-N 1 2 312.297 1.804 20 5 DDBDLO Cc1nn(CCC(=O)OCc2cc[nH+]c(N)c2)c(C)c1[N+](=O)[O-] ZINC000791825398 699656786 /nfs/dbraw/zinc/65/67/86/699656786.db2.gz NCGWJVBOJPKUDD-UHFFFAOYSA-N 1 2 319.321 1.519 20 5 DDBDLO CN(C)c1cc(COC(=O)c2ccc([N+](=O)[O-])cc2N)cc[nH+]1 ZINC000763289610 700933145 /nfs/dbraw/zinc/93/31/45/700933145.db2.gz WCNXSYKOYWMUBQ-UHFFFAOYSA-N 1 2 316.317 1.995 20 5 DDBDLO Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(N(C)C)[nH+]1 ZINC000767094261 701083419 /nfs/dbraw/zinc/08/34/19/701083419.db2.gz APJNHEUCUPOGAL-UHFFFAOYSA-N 1 2 304.310 1.350 20 5 DDBDLO Cc1nn(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c(C)c1[N+](=O)[O-] ZINC000842614681 702742462 /nfs/dbraw/zinc/74/24/62/702742462.db2.gz AOIFNRHYLUCCCL-LBPRGKRZSA-N 1 2 317.353 1.342 20 5 DDBDLO Cc1nn(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c(C)c1[N+](=O)[O-] ZINC000842614681 702742464 /nfs/dbraw/zinc/74/24/64/702742464.db2.gz AOIFNRHYLUCCCL-LBPRGKRZSA-N 1 2 317.353 1.342 20 5 DDBDLO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC000844474296 703036659 /nfs/dbraw/zinc/03/66/59/703036659.db2.gz NNBZITSDZFOROO-QLFBSQMISA-N 1 2 322.361 1.506 20 5 DDBDLO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC000844474296 703036660 /nfs/dbraw/zinc/03/66/60/703036660.db2.gz NNBZITSDZFOROO-QLFBSQMISA-N 1 2 322.361 1.506 20 5 DDBDLO Cc1nn(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c2ncc([N+](=O)[O-])cc12 ZINC000844754520 703069038 /nfs/dbraw/zinc/06/90/38/703069038.db2.gz DNVVKKRACBMCEH-PHIMTYICSA-N 1 2 309.276 1.802 20 5 DDBDLO Cc1nn(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c2ncc([N+](=O)[O-])cc12 ZINC000844754520 703069039 /nfs/dbraw/zinc/06/90/39/703069039.db2.gz DNVVKKRACBMCEH-PHIMTYICSA-N 1 2 309.276 1.802 20 5 DDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCS1(=O)=O ZINC000857707311 704615297 /nfs/dbraw/zinc/61/52/97/704615297.db2.gz FOGXADGUPVUROM-CYBMUJFWSA-N 1 2 312.391 1.646 20 5 DDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCS1(=O)=O ZINC000857707311 704615299 /nfs/dbraw/zinc/61/52/99/704615299.db2.gz FOGXADGUPVUROM-CYBMUJFWSA-N 1 2 312.391 1.646 20 5 DDBDLO COc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857978275 704653760 /nfs/dbraw/zinc/65/37/60/704653760.db2.gz DLVIWELEMKDWBR-SNVBAGLBSA-N 1 2 302.290 1.675 20 5 DDBDLO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@@H]21 ZINC000827287791 705968812 /nfs/dbraw/zinc/96/88/12/705968812.db2.gz LPEYJWMWRQSAMU-GWCFXTLKSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@@H]21 ZINC000827287791 705968814 /nfs/dbraw/zinc/96/88/14/705968814.db2.gz LPEYJWMWRQSAMU-GWCFXTLKSA-N 1 2 305.334 1.467 20 5 DDBDLO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880463739 706983190 /nfs/dbraw/zinc/98/31/90/706983190.db2.gz XJXAILFFZKMDAY-AWEZNQCLSA-N 1 2 304.350 1.884 20 5 DDBDLO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880463739 706983192 /nfs/dbraw/zinc/98/31/92/706983192.db2.gz XJXAILFFZKMDAY-AWEZNQCLSA-N 1 2 304.350 1.884 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880527921 707004861 /nfs/dbraw/zinc/00/48/61/707004861.db2.gz WDBAYDGNNZWTPM-ABAIWWIYSA-N 1 2 319.361 1.704 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880527921 707004862 /nfs/dbraw/zinc/00/48/62/707004862.db2.gz WDBAYDGNNZWTPM-ABAIWWIYSA-N 1 2 319.361 1.704 20 5 DDBDLO Cn1c[nH+]cc1CCOC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000837425857 707644049 /nfs/dbraw/zinc/64/40/49/707644049.db2.gz CWVUZLXOXJBSIK-UHFFFAOYSA-N 1 2 319.317 1.883 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886237270 708721308 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COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000157740384 197212116 /nfs/dbraw/zinc/21/21/16/197212116.db2.gz IPFZJPAFFIVHMB-UHFFFAOYSA-N 1 2 309.366 1.807 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155017755 197014503 /nfs/dbraw/zinc/01/45/03/197014503.db2.gz DSQTZZAOKJTOKH-UHFFFAOYSA-N 1 2 302.334 1.883 20 5 DDBDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000330432187 285328508 /nfs/dbraw/zinc/32/85/08/285328508.db2.gz WVVXZRZZGVHWQT-UHFFFAOYSA-N 1 2 313.379 1.229 20 5 DDBDLO COC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444620012 533390969 /nfs/dbraw/zinc/39/09/69/533390969.db2.gz LKSAYSHBDXHMBZ-JTQLQIEISA-N 1 2 318.333 1.856 20 5 DDBDLO COC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444620012 533390972 /nfs/dbraw/zinc/39/09/72/533390972.db2.gz LKSAYSHBDXHMBZ-JTQLQIEISA-N 1 2 318.333 1.856 20 5 DDBDLO CO[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1OC ZINC000444691696 533479865 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O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000246200078 408172307 /nfs/dbraw/zinc/17/23/07/408172307.db2.gz AUWOZFYCNSFZAG-OWCLPIDISA-N 1 2 322.361 1.508 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000246200078 408172312 /nfs/dbraw/zinc/17/23/12/408172312.db2.gz AUWOZFYCNSFZAG-OWCLPIDISA-N 1 2 322.361 1.508 20 5 DDBDLO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[C@@H]21 ZINC000150973136 408234512 /nfs/dbraw/zinc/23/45/12/408234512.db2.gz KDHMBOOCLVVRPZ-OLZOCXBDSA-N 1 2 319.361 1.857 20 5 DDBDLO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[C@@H]21 ZINC000150973136 408234521 /nfs/dbraw/zinc/23/45/21/408234521.db2.gz KDHMBOOCLVVRPZ-OLZOCXBDSA-N 1 2 319.361 1.857 20 5 DDBDLO CCOC(=O)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000190834417 408326820 /nfs/dbraw/zinc/32/68/20/408326820.db2.gz YGNVDSJTCUPILB-LLVKDONJSA-N 1 2 323.349 1.173 20 5 DDBDLO CCOC(=O)[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000190834417 408326825 /nfs/dbraw/zinc/32/68/25/408326825.db2.gz YGNVDSJTCUPILB-LLVKDONJSA-N 1 2 323.349 1.173 20 5 DDBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000157566342 408307427 /nfs/dbraw/zinc/30/74/27/408307427.db2.gz YMQPMOHVTABWDE-BPJJOFIESA-N 1 2 310.375 1.727 20 5 DDBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000157566342 408307433 /nfs/dbraw/zinc/30/74/33/408307433.db2.gz YMQPMOHVTABWDE-BPJJOFIESA-N 1 2 310.375 1.727 20 5 DDBDLO CC1(C)C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000176342876 408344017 /nfs/dbraw/zinc/34/40/17/408344017.db2.gz PTTPPVNGSATLLS-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000176342876 408344024 /nfs/dbraw/zinc/34/40/24/408344024.db2.gz PTTPPVNGSATLLS-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264194935 408399988 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O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363699845 300298118 /nfs/dbraw/zinc/29/81/18/300298118.db2.gz IZHDTXBHLAMCFQ-LBPRGKRZSA-N 1 2 305.334 1.611 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000368603914 301062654 /nfs/dbraw/zinc/06/26/54/301062654.db2.gz SKMWXHMAXAACRA-JTQLQIEISA-N 1 2 315.333 1.427 20 5 DDBDLO CCOC(=O)[C@@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000370556972 301364217 /nfs/dbraw/zinc/36/42/17/301364217.db2.gz MRTIATUZFBMKPJ-LBPRGKRZSA-N 1 2 310.354 1.599 20 5 DDBDLO CCOC(=O)[C@@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000370556972 301364220 /nfs/dbraw/zinc/36/42/20/301364220.db2.gz MRTIATUZFBMKPJ-LBPRGKRZSA-N 1 2 310.354 1.599 20 5 DDBDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000375982597 302018066 /nfs/dbraw/zinc/01/80/66/302018066.db2.gz AKYDUXRIYLAYPZ-HNNXBMFYSA-N 1 2 321.377 1.316 20 5 DDBDLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000375982597 302018068 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20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345441697 272252155 /nfs/dbraw/zinc/25/21/55/272252155.db2.gz DWSLKFSECFRCTC-NSHDSACASA-N 1 2 302.290 1.611 20 5 DDBDLO O=C(NCCCC[NH+]1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346152616 272427542 /nfs/dbraw/zinc/42/75/42/272427542.db2.gz RJXVFNWNOFNTHP-UHFFFAOYSA-N 1 2 323.349 1.143 20 5 DDBDLO NC(=O)NC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119302130 281095228 /nfs/dbraw/zinc/09/52/28/281095228.db2.gz IBWJQSPUHRUJIL-UHFFFAOYSA-N 1 2 312.757 1.881 20 5 DDBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000119379374 281097626 /nfs/dbraw/zinc/09/76/26/281097626.db2.gz IMVYADYBYJTUBG-UHFFFAOYSA-N 1 2 302.758 1.671 20 5 DDBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000119379374 281097627 /nfs/dbraw/zinc/09/76/27/281097627.db2.gz IMVYADYBYJTUBG-UHFFFAOYSA-N 1 2 302.758 1.671 20 5 DDBDLO Cn1cc[nH+]c1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000105796534 294407299 /nfs/dbraw/zinc/40/72/99/294407299.db2.gz NHECGZXZEXPUER-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364360009 300383542 /nfs/dbraw/zinc/38/35/42/300383542.db2.gz KWHWDYJPGIAVHK-GFCCVEGCSA-N 1 2 318.337 1.242 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370452589 301342118 /nfs/dbraw/zinc/34/21/18/301342118.db2.gz KZFKEAJNUCVCQO-VIFPVBQESA-N 1 2 316.317 1.614 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370452589 301342121 /nfs/dbraw/zinc/34/21/21/301342121.db2.gz KZFKEAJNUCVCQO-VIFPVBQESA-N 1 2 316.317 1.614 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000370630321 301374453 /nfs/dbraw/zinc/37/44/53/301374453.db2.gz HAUUARADWKVYFD-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000370630321 301374455 /nfs/dbraw/zinc/37/44/55/301374455.db2.gz HAUUARADWKVYFD-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000375508448 301950970 /nfs/dbraw/zinc/95/09/70/301950970.db2.gz IZJQODLTVPGNEF-NSHDSACASA-N 1 2 312.329 1.943 20 5 DDBDLO Cc1nnc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)[nH]1 ZINC000378252778 302304129 /nfs/dbraw/zinc/30/41/29/302304129.db2.gz PKFJMXIIMHKTAK-LLVKDONJSA-N 1 2 305.342 1.445 20 5 DDBDLO Cc1nnc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)[nH]1 ZINC000378252778 302304131 /nfs/dbraw/zinc/30/41/31/302304131.db2.gz PKFJMXIIMHKTAK-LLVKDONJSA-N 1 2 305.342 1.445 20 5 DDBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC(n2cc[nH+]c2)C1 ZINC000524398494 302904571 /nfs/dbraw/zinc/90/45/71/302904571.db2.gz REBWHKQJCYFHFY-UHFFFAOYSA-N 1 2 316.273 1.217 20 5 DDBDLO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000364800326 307051499 /nfs/dbraw/zinc/05/14/99/307051499.db2.gz PBUVYVDDPBLHLF-CYBMUJFWSA-N 1 2 313.321 1.289 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000374348243 307206014 /nfs/dbraw/zinc/20/60/14/307206014.db2.gz FJKXOERDAGSJLY-ZDUSSCGKSA-N 1 2 314.345 1.887 20 5 DDBDLO CC(=O)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000377991044 307279929 /nfs/dbraw/zinc/27/99/29/307279929.db2.gz RSLXSZDGOKWIPF-LSDHHAIUSA-N 1 2 305.334 1.317 20 5 DDBDLO CC(=O)c1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000377991044 307279930 /nfs/dbraw/zinc/27/99/30/307279930.db2.gz RSLXSZDGOKWIPF-LSDHHAIUSA-N 1 2 305.334 1.317 20 5 DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000576353955 308309113 /nfs/dbraw/zinc/30/91/13/308309113.db2.gz LIYKQYUYWWHCER-AWEZNQCLSA-N 1 2 305.334 1.543 20 5 DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000576353955 308309115 /nfs/dbraw/zinc/30/91/15/308309115.db2.gz LIYKQYUYWWHCER-AWEZNQCLSA-N 1 2 305.334 1.543 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000583880298 337375694 /nfs/dbraw/zinc/37/56/94/337375694.db2.gz SWVUMNHCLKXIRK-HNNXBMFYSA-N 1 2 305.334 1.458 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000583880298 337375695 /nfs/dbraw/zinc/37/56/95/337375695.db2.gz SWVUMNHCLKXIRK-HNNXBMFYSA-N 1 2 305.334 1.458 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370902038 483926993 /nfs/dbraw/zinc/92/69/93/483926993.db2.gz DZJCOSGDLFTISZ-SNVBAGLBSA-N 1 2 316.317 1.370 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370902038 483926997 /nfs/dbraw/zinc/92/69/97/483926997.db2.gz DZJCOSGDLFTISZ-SNVBAGLBSA-N 1 2 316.317 1.370 20 5 DDBDLO Cc1cc2[nH+]cn(C[C@@H](O)Cn3nccc3[N+](=O)[O-])c2cc1C ZINC000299410640 534137781 /nfs/dbraw/zinc/13/77/81/534137781.db2.gz QXWMEYJGIPDNCZ-GFCCVEGCSA-N 1 2 315.333 1.819 20 5 DDBDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000495225634 529264340 /nfs/dbraw/zinc/26/43/40/529264340.db2.gz QBANLYPGHCMRNM-CYBMUJFWSA-N 1 2 321.377 1.916 20 5 DDBDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000495225634 529264341 /nfs/dbraw/zinc/26/43/41/529264341.db2.gz QBANLYPGHCMRNM-CYBMUJFWSA-N 1 2 321.377 1.916 20 5 DDBDLO Cn1c[nH+]cc1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000747780173 700085794 /nfs/dbraw/zinc/08/57/94/700085794.db2.gz CMGZNKYNOVYWAK-UHFFFAOYSA-N 1 2 319.273 1.457 20 5 DDBDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000101905434 696609088 /nfs/dbraw/zinc/60/90/88/696609088.db2.gz FLMLBFIQGGKRCW-GFCCVEGCSA-N 1 2 309.370 1.377 20 5 DDBDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000101905434 696609090 /nfs/dbraw/zinc/60/90/90/696609090.db2.gz FLMLBFIQGGKRCW-GFCCVEGCSA-N 1 2 309.370 1.377 20 5 DDBDLO C[N@H+](C[C@@H]1CCOC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000176104739 697401507 /nfs/dbraw/zinc/40/15/07/697401507.db2.gz OQBRLRNGTSPMCW-JTQLQIEISA-N 1 2 319.317 1.117 20 5 DDBDLO C[N@@H+](C[C@@H]1CCOC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000176104739 697401509 /nfs/dbraw/zinc/40/15/09/697401509.db2.gz OQBRLRNGTSPMCW-JTQLQIEISA-N 1 2 319.317 1.117 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC(CO)(CO)C2)c1 ZINC000703763984 699236968 /nfs/dbraw/zinc/23/69/68/699236968.db2.gz DTWHTZHBZQVITN-UHFFFAOYSA-N 1 2 300.742 1.425 20 5 DDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000703763984 699236970 /nfs/dbraw/zinc/23/69/70/699236970.db2.gz DTWHTZHBZQVITN-UHFFFAOYSA-N 1 2 300.742 1.425 20 5 DDBDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752590 699337758 /nfs/dbraw/zinc/33/77/58/699337758.db2.gz FYHTUCULFSFTIL-VIFPVBQESA-N 1 2 317.353 1.424 20 5 DDBDLO Cn1c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000727495889 699413801 /nfs/dbraw/zinc/41/38/01/699413801.db2.gz JXWMPFCDUFXOEV-LBPRGKRZSA-N 1 2 319.365 1.975 20 5 DDBDLO Nc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000730833400 699517035 /nfs/dbraw/zinc/51/70/35/699517035.db2.gz LSPKSGCTKRWZDJ-UHFFFAOYSA-N 1 2 314.301 1.475 20 5 DDBDLO COC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000793360713 699752432 /nfs/dbraw/zinc/75/24/32/699752432.db2.gz DSIYZPNUEVHVAU-LLVKDONJSA-N 1 2 307.350 1.715 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753895789 700465421 /nfs/dbraw/zinc/46/54/21/700465421.db2.gz NGQTYGRQBNOBIM-OKILXGFUSA-N 1 2 320.345 1.544 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753895789 700465422 /nfs/dbraw/zinc/46/54/22/700465422.db2.gz NGQTYGRQBNOBIM-OKILXGFUSA-N 1 2 320.345 1.544 20 5 DDBDLO O=C(NCCn1cc[nH+]c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756777818 700640876 /nfs/dbraw/zinc/64/08/76/700640876.db2.gz OXCFKBVJWMBMNU-UHFFFAOYSA-N 1 2 323.740 1.944 20 5 DDBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000766398390 701048989 /nfs/dbraw/zinc/04/89/89/701048989.db2.gz SZBMDHFPJIOCJM-UHFFFAOYSA-N 1 2 315.285 1.916 20 5 DDBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673586 702197649 /nfs/dbraw/zinc/19/76/49/702197649.db2.gz UHQGEZLZHHUVCH-ZIAGYGMSSA-N 1 2 301.302 1.889 20 5 DDBDLO CC(=O)NCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000842634552 702746530 /nfs/dbraw/zinc/74/65/30/702746530.db2.gz DZLPKMITCHJBFN-UHFFFAOYSA-N 1 2 317.349 1.484 20 5 DDBDLO CC(=O)NCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000842634552 702746531 /nfs/dbraw/zinc/74/65/31/702746531.db2.gz DZLPKMITCHJBFN-UHFFFAOYSA-N 1 2 317.349 1.484 20 5 DDBDLO COC[C@@H]1CC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848491381 703556771 /nfs/dbraw/zinc/55/67/71/703556771.db2.gz VCILRAJRWFFLQR-GJZGRUSLSA-N 1 2 319.361 1.589 20 5 DDBDLO COC[C@@H]1CC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848491381 703556773 /nfs/dbraw/zinc/55/67/73/703556773.db2.gz VCILRAJRWFFLQR-GJZGRUSLSA-N 1 2 319.361 1.589 20 5 DDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1F ZINC000832518277 706929361 /nfs/dbraw/zinc/92/93/61/706929361.db2.gz YNPFYVCCKHAOOK-SECBINFHSA-N 1 2 304.281 1.675 20 5 DDBDLO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000886220301 708717726 /nfs/dbraw/zinc/71/77/26/708717726.db2.gz GEFRBSDXYDCFIL-AWEZNQCLSA-N 1 2 306.366 1.286 20 5 DDBDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000886472316 708766521 /nfs/dbraw/zinc/76/65/21/708766521.db2.gz ZRVQROHOIOKGMU-LLVKDONJSA-N 1 2 313.379 1.310 20 5 DDBDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000886472316 708766523 /nfs/dbraw/zinc/76/65/23/708766523.db2.gz ZRVQROHOIOKGMU-LLVKDONJSA-N 1 2 313.379 1.310 20 5 DDBDLO Cc1cc(NCC[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])s1 ZINC000895252566 711467288 /nfs/dbraw/zinc/46/72/88/711467288.db2.gz OYEXTSTVVNQEEL-UHFFFAOYSA-N 1 2 313.379 1.825 20 5 DDBDLO Cc1cc(NCC[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])s1 ZINC000895252566 711467290 /nfs/dbraw/zinc/46/72/90/711467290.db2.gz OYEXTSTVVNQEEL-UHFFFAOYSA-N 1 2 313.379 1.825 20 5 DDBDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000921415412 713763154 /nfs/dbraw/zinc/76/31/54/713763154.db2.gz LMTGDMZEMKWXLO-VIFPVBQESA-N 1 2 319.770 1.231 20 5 DDBDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000921415412 713763157 /nfs/dbraw/zinc/76/31/57/713763157.db2.gz LMTGDMZEMKWXLO-VIFPVBQESA-N 1 2 319.770 1.231 20 5 DDBDLO COc1ccc(C[N@@H+]2CCC[C@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000933910124 714699879 /nfs/dbraw/zinc/69/98/79/714699879.db2.gz SDJMFWFUYKOUAI-LBPRGKRZSA-N 1 2 308.334 1.941 20 5 DDBDLO COc1ccc(C[N@H+]2CCC[C@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000933910124 714699880 /nfs/dbraw/zinc/69/98/80/714699880.db2.gz SDJMFWFUYKOUAI-LBPRGKRZSA-N 1 2 308.334 1.941 20 5 DDBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000933910122 714699920 /nfs/dbraw/zinc/69/99/20/714699920.db2.gz SDJMFWFUYKOUAI-GFCCVEGCSA-N 1 2 308.334 1.941 20 5 DDBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000933910122 714699922 /nfs/dbraw/zinc/69/99/22/714699922.db2.gz SDJMFWFUYKOUAI-GFCCVEGCSA-N 1 2 308.334 1.941 20 5 DDBDLO O=C(NC1C[NH+](Cc2ccccc2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030293743 744025490 /nfs/dbraw/zinc/02/54/90/744025490.db2.gz RETOXGOMSJVXQG-HZPDHXFCSA-N 1 2 315.373 1.530 20 5 DDBDLO O=C1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC001169040398 762194940 /nfs/dbraw/zinc/19/49/40/762194940.db2.gz ZPWABYQKWPGLFX-DOMZBBRYSA-N 1 2 321.352 1.920 20 5 DDBDLO O=C1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1c1ccc(F)cc1 ZINC001169040398 762194941 /nfs/dbraw/zinc/19/49/41/762194941.db2.gz ZPWABYQKWPGLFX-DOMZBBRYSA-N 1 2 321.352 1.920 20 5 DDBDLO Cc1cccc(C)c1C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042705064 764373282 /nfs/dbraw/zinc/37/32/82/764373282.db2.gz JLUZIYJPWXKQJV-GDBMZVCRSA-N 1 2 317.389 1.611 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001129538466 766931404 /nfs/dbraw/zinc/93/14/04/766931404.db2.gz QQNSQKCBPHSQMI-UHFFFAOYSA-N 1 2 304.306 1.309 20 5 DDBDLO CCC(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096259824 768799560 /nfs/dbraw/zinc/79/95/60/768799560.db2.gz LTKMEZQDQOQPLQ-UHFFFAOYSA-N 1 2 306.366 1.243 20 5 DDBDLO CN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001100042826 775609906 /nfs/dbraw/zinc/60/99/06/775609906.db2.gz PFEWLCMZTUDSBY-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO Cc1ccnc(NCCCNC(=O)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC001094549286 776058034 /nfs/dbraw/zinc/05/80/34/776058034.db2.gz GCVHCVFGDAJAFC-UHFFFAOYSA-N 1 2 318.337 1.182 20 5 DDBDLO O=C(Cc1c[nH]c[nH+]1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094807075 776306177 /nfs/dbraw/zinc/30/61/77/776306177.db2.gz NEJFLOIIZIOVIJ-UHFFFAOYSA-N 1 2 303.322 1.479 20 5 DDBDLO Cc1cc(NCCCNC(=O)Cc2c[nH]c[nH+]2)ncc1[N+](=O)[O-] ZINC001094808741 776308131 /nfs/dbraw/zinc/30/81/31/776308131.db2.gz QGXHSDOYNBMPHZ-UHFFFAOYSA-N 1 2 318.337 1.182 20 5 DDBDLO COC(=O)[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)[C@@H](C)O ZINC001172900771 776915014 /nfs/dbraw/zinc/91/50/14/776915014.db2.gz ZQZJGEUQSCYNMZ-YVLXSGLVSA-N 1 2 322.361 1.354 20 5 DDBDLO Nc1[nH+]ccc2c1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC001150701773 862421013 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CCn1nc2c(cc1=O)C[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595334616 356453018 /nfs/dbraw/zinc/45/30/18/356453018.db2.gz PSZDWBXJDOSGDN-UHFFFAOYSA-N 1 2 319.321 1.026 20 5 DDBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000595302964 356440490 /nfs/dbraw/zinc/44/04/90/356440490.db2.gz YKUDXPNPFDIUEU-UHFFFAOYSA-N 1 2 317.324 1.846 20 5 DDBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nc2ncccn2n1 ZINC000565215661 304054358 /nfs/dbraw/zinc/05/43/58/304054358.db2.gz CGIAFFZOMHWTFY-GFCCVEGCSA-N 1 2 310.317 1.810 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595382907 356473237 /nfs/dbraw/zinc/47/32/37/356473237.db2.gz KSEFNFURNLULNK-JTQLQIEISA-N 1 2 324.362 1.676 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454612 356499477 /nfs/dbraw/zinc/49/94/77/356499477.db2.gz JLHIFFBQALHNSJ-IUPBHXKESA-N 1 2 307.325 1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454612 356499481 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SIKKGQIVVDPSIE-PWSUYJOCSA-N 1 2 316.317 1.545 20 5 DDBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])n1 ZINC000932434424 714329971 /nfs/dbraw/zinc/32/99/71/714329971.db2.gz IGKNMOBBZBXPOK-LLVKDONJSA-N 1 2 309.370 1.207 20 5 DDBDLO Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])n1 ZINC000932434424 714329974 /nfs/dbraw/zinc/32/99/74/714329974.db2.gz IGKNMOBBZBXPOK-LLVKDONJSA-N 1 2 309.370 1.207 20 5 DDBDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001196630946 746918661 /nfs/dbraw/zinc/91/86/61/746918661.db2.gz BLKMPWUKADPEAB-UHFFFAOYSA-N 1 2 316.317 1.793 20 5 DDBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cscn2)CC1 ZINC001045437143 766305406 /nfs/dbraw/zinc/30/54/06/766305406.db2.gz FVKZERCHMPLNAW-VXGBXAGGSA-N 1 2 324.406 1.279 20 5 DDBDLO O=C(CCc1[nH]cc[nH+]1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094406794 775866791 /nfs/dbraw/zinc/86/67/91/775866791.db2.gz NJKDRMWODNNFPU-UHFFFAOYSA-N 1 2 317.349 1.869 20 5 DDBDLO C[C@@](CO)(NC(=O)CCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC001171460651 776288815 /nfs/dbraw/zinc/28/88/15/776288815.db2.gz FFKKSVIDGUZBEK-HNNXBMFYSA-N 1 2 318.333 1.274 20 5 DDBDLO C[C@@](CO)(NC(=O)CCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001171460651 776288821 /nfs/dbraw/zinc/28/88/21/776288821.db2.gz FFKKSVIDGUZBEK-HNNXBMFYSA-N 1 2 318.333 1.274 20 5 DDBDLO COC(=O)C[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235769 777065193 /nfs/dbraw/zinc/06/51/93/777065193.db2.gz ZEAQOWPFZVDGRP-WFASDCNBSA-N 1 2 322.361 1.790 20 5 DDBDLO COC(=O)C[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235769 777065200 /nfs/dbraw/zinc/06/52/00/777065200.db2.gz ZEAQOWPFZVDGRP-WFASDCNBSA-N 1 2 322.361 1.790 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)CCn1cc[nH+]c1)C2 ZINC001330805601 864619095 /nfs/dbraw/zinc/61/90/95/864619095.db2.gz LAJKUQIAMQFFGY-UHFFFAOYSA-N 1 2 322.346 1.137 20 5 DDBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001159741064 865495470 /nfs/dbraw/zinc/49/54/70/865495470.db2.gz NMCKJLWHOFFOSU-UHFFFAOYSA-N 1 2 304.310 1.071 20 5 DDBDLO COc1ncnc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001160725767 866078379 /nfs/dbraw/zinc/07/83/79/866078379.db2.gz PWVWBKLKHICMHX-GHMZBOCLSA-N 1 2 323.353 1.059 20 5 DDBDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001301547090 870998139 /nfs/dbraw/zinc/99/81/39/870998139.db2.gz NCVWOTQDCTZULS-LVDDQXARSA-N 1 2 316.317 1.191 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001306860794 871367944 /nfs/dbraw/zinc/36/79/44/871367944.db2.gz YLGPOKXXMZFCGB-JTQLQIEISA-N 1 2 321.381 1.750 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001306860794 871367963 /nfs/dbraw/zinc/36/79/63/871367963.db2.gz YLGPOKXXMZFCGB-JTQLQIEISA-N 1 2 321.381 1.750 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001306860794 871367979 /nfs/dbraw/zinc/36/79/79/871367979.db2.gz YLGPOKXXMZFCGB-JTQLQIEISA-N 1 2 321.381 1.750 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001306860794 871367991 /nfs/dbraw/zinc/36/79/91/871367991.db2.gz YLGPOKXXMZFCGB-JTQLQIEISA-N 1 2 321.381 1.750 20 5 DDBDLO COc1c(O)ccc(CNc2cc(CO)cc[nH+]2)c1[N+](=O)[O-] ZINC001308828847 871530562 /nfs/dbraw/zinc/53/05/62/871530562.db2.gz ZRQJIDVELVITQA-UHFFFAOYSA-N 1 2 305.290 1.808 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc([N+](=O)[O-])c2C)C[N@@H+]1C ZINC001223330637 880921125 /nfs/dbraw/zinc/92/11/25/880921125.db2.gz WPJCEFCDHULFJI-OCCSQVGLSA-N 1 2 308.334 1.666 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc([N+](=O)[O-])c2C)C[N@H+]1C ZINC001223330637 880921141 /nfs/dbraw/zinc/92/11/41/880921141.db2.gz WPJCEFCDHULFJI-OCCSQVGLSA-N 1 2 308.334 1.666 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(OC)c([N+](=O)[O-])c2)C[N@@H+]1C ZINC001223649745 881042720 /nfs/dbraw/zinc/04/27/20/881042720.db2.gz TVNWZFHZZGHVHH-YPMHNXCESA-N 1 2 324.333 1.366 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(OC)c([N+](=O)[O-])c2)C[N@H+]1C ZINC001223649745 881042738 /nfs/dbraw/zinc/04/27/38/881042738.db2.gz TVNWZFHZZGHVHH-YPMHNXCESA-N 1 2 324.333 1.366 20 5 DDBDLO CS(=O)(=O)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600467 896525660 /nfs/dbraw/zinc/52/56/60/896525660.db2.gz QAEFCZGTQXJKLT-CQSZACIVSA-N 1 2 324.402 1.571 20 5 DDBDLO C[C@@H](O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451273114 231053301 /nfs/dbraw/zinc/05/33/01/231053301.db2.gz DBDFPPZRKBKMQU-LLVKDONJSA-N 1 2 318.333 1.671 20 5 DDBDLO COC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000252039446 282208423 /nfs/dbraw/zinc/20/84/23/282208423.db2.gz ZEDYVRJZMSUJNO-STQMWFEESA-N 1 2 310.350 1.709 20 5 DDBDLO COC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000252039446 282208426 /nfs/dbraw/zinc/20/84/26/282208426.db2.gz ZEDYVRJZMSUJNO-STQMWFEESA-N 1 2 310.350 1.709 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279940811 215256849 /nfs/dbraw/zinc/25/68/49/215256849.db2.gz XFAFTRINGOUCRS-CYBMUJFWSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279940811 215256851 /nfs/dbraw/zinc/25/68/51/215256851.db2.gz XFAFTRINGOUCRS-CYBMUJFWSA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000191851424 186264333 /nfs/dbraw/zinc/26/43/33/186264333.db2.gz BYYYGJIZJBKUPP-UHFFFAOYSA-N 1 2 313.379 1.148 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)on1 ZINC000047331220 352490799 /nfs/dbraw/zinc/49/07/99/352490799.db2.gz IPPQRNKIECWWDN-UHFFFAOYSA-N 1 2 320.353 1.255 20 5 DDBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072980016 191263762 /nfs/dbraw/zinc/26/37/62/191263762.db2.gz UIHNAAVFNVPPOU-CQSZACIVSA-N 1 2 321.377 1.941 20 5 DDBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072980016 191263765 /nfs/dbraw/zinc/26/37/65/191263765.db2.gz UIHNAAVFNVPPOU-CQSZACIVSA-N 1 2 321.377 1.941 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000076772118 353437756 /nfs/dbraw/zinc/43/77/56/353437756.db2.gz YHRGJODNIHHNNU-UHFFFAOYSA-N 1 2 302.338 1.804 20 5 DDBDLO C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCSC1 ZINC000092546118 353861676 /nfs/dbraw/zinc/86/16/76/353861676.db2.gz QWKJWLDUKJHURH-SNVBAGLBSA-N 1 2 311.363 1.676 20 5 DDBDLO C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCSC1 ZINC000092546118 353861679 /nfs/dbraw/zinc/86/16/79/353861679.db2.gz QWKJWLDUKJHURH-SNVBAGLBSA-N 1 2 311.363 1.676 20 5 DDBDLO CCc1nn(C)c(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000092829408 353871519 /nfs/dbraw/zinc/87/15/19/353871519.db2.gz BLTXFZKGYDJSIT-UHFFFAOYSA-N 1 2 304.354 1.929 20 5 DDBDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495045 354996123 /nfs/dbraw/zinc/99/61/23/354996123.db2.gz PBBULYDVBIDQOK-UHFFFAOYSA-N 1 2 323.349 1.292 20 5 DDBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495045 354996126 /nfs/dbraw/zinc/99/61/26/354996126.db2.gz PBBULYDVBIDQOK-UHFFFAOYSA-N 1 2 323.349 1.292 20 5 DDBDLO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000590561665 355114826 /nfs/dbraw/zinc/11/48/26/355114826.db2.gz GMSUYAAHXIUTHQ-SNVBAGLBSA-N 1 2 303.322 1.632 20 5 DDBDLO CCOC(=O)c1ccnc(N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000590567408 355115741 /nfs/dbraw/zinc/11/57/41/355115741.db2.gz BRSVFCGHTIWMMX-UHFFFAOYSA-N 1 2 317.305 1.452 20 5 DDBDLO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592567906 355631911 /nfs/dbraw/zinc/63/19/11/355631911.db2.gz FDOJCWUUOLTJAO-LLVKDONJSA-N 1 2 305.334 1.705 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000593020386 355772248 /nfs/dbraw/zinc/77/22/48/355772248.db2.gz YJKMSRLONHOJET-SNVBAGLBSA-N 1 2 321.333 1.092 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000593020386 355772250 /nfs/dbraw/zinc/77/22/50/355772250.db2.gz YJKMSRLONHOJET-SNVBAGLBSA-N 1 2 321.333 1.092 20 5 DDBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094290 355794157 /nfs/dbraw/zinc/79/41/57/355794157.db2.gz ZDQBPCQZCVMWNI-NSHDSACASA-N 1 2 319.361 1.837 20 5 DDBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094290 355794161 /nfs/dbraw/zinc/79/41/61/355794161.db2.gz ZDQBPCQZCVMWNI-NSHDSACASA-N 1 2 319.361 1.837 20 5 DDBDLO C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593907957 356053083 /nfs/dbraw/zinc/05/30/83/356053083.db2.gz WHYQQLNOBBOTJC-QMMMGPOBSA-N 1 2 316.745 1.171 20 5 DDBDLO O=[N+]([O-])c1ccc(-n2cc(C[NH+]3CCSCC3)nn2)cc1 ZINC000594641483 356270145 /nfs/dbraw/zinc/27/01/45/356270145.db2.gz ZSKSZXZVXIKPSU-UHFFFAOYSA-N 1 2 305.363 1.724 20 5 DDBDLO Cn1c[nH+]c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000595287802 356433620 /nfs/dbraw/zinc/43/36/20/356433620.db2.gz MLAJTRFVWBCVJE-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO CC(C)(C)n1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nn1 ZINC000595425494 356487535 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407155681 /nfs/dbraw/zinc/15/56/81/407155681.db2.gz UQHSRFZGXKLITL-QWRGUYRKSA-N 1 2 323.349 1.387 20 5 DDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](O)C1 ZINC000114194120 407550574 /nfs/dbraw/zinc/55/05/74/407550574.db2.gz PEKFGDVYPJBFCH-WPRPVWTQSA-N 1 2 313.741 1.642 20 5 DDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](O)C1 ZINC000114194120 407550578 /nfs/dbraw/zinc/55/05/78/407550578.db2.gz PEKFGDVYPJBFCH-WPRPVWTQSA-N 1 2 313.741 1.642 20 5 DDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000115164307 407657621 /nfs/dbraw/zinc/65/76/21/407657621.db2.gz BMGUCSXMBYKYLC-JTQLQIEISA-N 1 2 311.363 1.249 20 5 DDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000115164307 407657633 /nfs/dbraw/zinc/65/76/33/407657633.db2.gz BMGUCSXMBYKYLC-JTQLQIEISA-N 1 2 311.363 1.249 20 5 DDBDLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000182312566 306703838 /nfs/dbraw/zinc/70/38/38/306703838.db2.gz UEEDMMRCVHHGCF-JTQLQIEISA-N 1 2 306.297 1.850 20 5 DDBDLO CS(=O)(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153253355 407786465 /nfs/dbraw/zinc/78/64/65/407786465.db2.gz CPVUFEAFGCKXFP-UHFFFAOYSA-N 1 2 313.379 1.108 20 5 DDBDLO CS(=O)(=O)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153253355 407786470 /nfs/dbraw/zinc/78/64/70/407786470.db2.gz CPVUFEAFGCKXFP-UHFFFAOYSA-N 1 2 313.379 1.108 20 5 DDBDLO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189525282 408040464 /nfs/dbraw/zinc/04/04/64/408040464.db2.gz FEFAWEFFYWAXGE-UHFFFAOYSA-N 1 2 307.350 1.857 20 5 DDBDLO COc1ccc(C[N@H+](CCO)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000268686286 408155679 /nfs/dbraw/zinc/15/56/79/408155679.db2.gz NSEYMEDKJBVSLB-UHFFFAOYSA-N 1 2 317.345 1.993 20 5 DDBDLO COc1ccc(C[N@@H+](CCO)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000268686286 408155685 /nfs/dbraw/zinc/15/56/85/408155685.db2.gz NSEYMEDKJBVSLB-UHFFFAOYSA-N 1 2 317.345 1.993 20 5 DDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175981349 408256086 /nfs/dbraw/zinc/25/60/86/408256086.db2.gz NCBXTPKECPWLKR-UHFFFAOYSA-N 1 2 315.333 1.568 20 5 DDBDLO CC(C)C(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269670065 408384141 /nfs/dbraw/zinc/38/41/41/408384141.db2.gz AFAHTCNLXDPITQ-OAHLLOKOSA-N 1 2 321.377 1.428 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176461351 408373306 /nfs/dbraw/zinc/37/33/06/408373306.db2.gz BJOZLBUHOSWGGH-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176461351 408373311 /nfs/dbraw/zinc/37/33/11/408373311.db2.gz BJOZLBUHOSWGGH-UHFFFAOYSA-N 1 2 322.365 1.018 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](CO)C1 ZINC000270363312 408505337 /nfs/dbraw/zinc/50/53/37/408505337.db2.gz JUAMTDVVXMFMIV-LLVKDONJSA-N 1 2 316.317 1.235 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286330579 408964765 /nfs/dbraw/zinc/96/47/65/408964765.db2.gz LMEBDKWJMUEKOP-TZMCWYRMSA-N 1 2 306.366 1.598 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000277638516 408982365 /nfs/dbraw/zinc/98/23/65/408982365.db2.gz SZFNJKHLPQRIAD-UHFFFAOYSA-N 1 2 323.349 1.008 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000278907439 409111292 /nfs/dbraw/zinc/11/12/92/409111292.db2.gz ROLKSIKNESPMJG-BETUJISGSA-N 1 2 308.382 1.844 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000278907439 409111293 /nfs/dbraw/zinc/11/12/93/409111293.db2.gz ROLKSIKNESPMJG-BETUJISGSA-N 1 2 308.382 1.844 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289402833 409262780 /nfs/dbraw/zinc/26/27/80/409262780.db2.gz AEMMYZSUCKRBJN-UHFFFAOYSA-N 1 2 322.346 1.304 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000296389369 409525012 /nfs/dbraw/zinc/52/50/12/409525012.db2.gz UFKNYPNPJLQFSK-BXUZGUMPSA-N 1 2 307.350 1.687 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000296389369 409525020 /nfs/dbraw/zinc/52/50/20/409525020.db2.gz UFKNYPNPJLQFSK-BXUZGUMPSA-N 1 2 307.350 1.687 20 5 DDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354616828 409970455 /nfs/dbraw/zinc/97/04/55/409970455.db2.gz BCLHDPSIBCVIIU-WDEREUQCSA-N 1 2 313.379 1.308 20 5 DDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354616828 409970460 /nfs/dbraw/zinc/97/04/60/409970460.db2.gz BCLHDPSIBCVIIU-WDEREUQCSA-N 1 2 313.379 1.308 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)n1 ZINC000357605169 410130090 /nfs/dbraw/zinc/13/00/90/410130090.db2.gz VPJYVDKATZTZNR-KBPBESRZSA-N 1 2 320.393 1.906 20 5 DDBDLO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](CC)CN1C(C)=O ZINC000355732334 410666437 /nfs/dbraw/zinc/66/64/37/410666437.db2.gz JUADGAGGPAXFQZ-CHWSQXEVSA-N 1 2 323.397 1.550 20 5 DDBDLO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](CC)CN1C(C)=O ZINC000355732334 410666445 /nfs/dbraw/zinc/66/64/45/410666445.db2.gz JUADGAGGPAXFQZ-CHWSQXEVSA-N 1 2 323.397 1.550 20 5 DDBDLO Cc1c(CNC(=O)N(C)Cc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000359545943 410722617 /nfs/dbraw/zinc/72/26/17/410722617.db2.gz SOMJZDNYEUEZHH-UHFFFAOYSA-N 1 2 317.349 1.978 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000295656707 225092654 /nfs/dbraw/zinc/09/26/54/225092654.db2.gz HZSPLEQYSLLYBB-UHFFFAOYSA-N 1 2 308.338 1.037 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000295656707 225092658 /nfs/dbraw/zinc/09/26/58/225092658.db2.gz HZSPLEQYSLLYBB-UHFFFAOYSA-N 1 2 308.338 1.037 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000421752955 226773030 /nfs/dbraw/zinc/77/30/30/226773030.db2.gz WJWXKNOGVITIIM-ZDUSSCGKSA-N 1 2 321.377 1.662 20 5 DDBDLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373569142 418439946 /nfs/dbraw/zinc/43/99/46/418439946.db2.gz TXKKLBCZLJYBAK-NWDGAFQWSA-N 1 2 309.370 1.343 20 5 DDBDLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373569142 418439948 /nfs/dbraw/zinc/43/99/48/418439948.db2.gz TXKKLBCZLJYBAK-NWDGAFQWSA-N 1 2 309.370 1.343 20 5 DDBDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367461553 418601392 /nfs/dbraw/zinc/60/13/92/418601392.db2.gz APFKVWJKEVMGIY-AWEZNQCLSA-N 1 2 322.321 1.733 20 5 DDBDLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367461553 418601394 /nfs/dbraw/zinc/60/13/94/418601394.db2.gz APFKVWJKEVMGIY-AWEZNQCLSA-N 1 2 322.321 1.733 20 5 DDBDLO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1O ZINC000371602166 418803752 /nfs/dbraw/zinc/80/37/52/418803752.db2.gz OOFDBGWBQQYXJR-QWRGUYRKSA-N 1 2 305.334 1.657 20 5 DDBDLO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1O ZINC000371602166 418803755 /nfs/dbraw/zinc/80/37/55/418803755.db2.gz OOFDBGWBQQYXJR-QWRGUYRKSA-N 1 2 305.334 1.657 20 5 DDBDLO Nc1c(C(=O)N2CCn3c[nH+]cc3C2)cc(F)cc1[N+](=O)[O-] ZINC000365745641 418903186 /nfs/dbraw/zinc/90/31/86/418903186.db2.gz FIIVLFQUEDHXIT-UHFFFAOYSA-N 1 2 305.269 1.169 20 5 DDBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211117 420089863 /nfs/dbraw/zinc/08/98/63/420089863.db2.gz XBYYNCBZBHUIRC-NSHDSACASA-N 1 2 308.338 1.107 20 5 DDBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211117 420089869 /nfs/dbraw/zinc/08/98/69/420089869.db2.gz XBYYNCBZBHUIRC-NSHDSACASA-N 1 2 308.338 1.107 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430216021 420092810 /nfs/dbraw/zinc/09/28/10/420092810.db2.gz GFUYAYYYMJFWLR-ZDUSSCGKSA-N 1 2 307.350 1.656 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000430216021 420092812 /nfs/dbraw/zinc/09/28/12/420092812.db2.gz GFUYAYYYMJFWLR-ZDUSSCGKSA-N 1 2 307.350 1.656 20 5 DDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1O ZINC000436828232 420371607 /nfs/dbraw/zinc/37/16/07/420371607.db2.gz PZIYCUBRJCUQPC-SECBINFHSA-N 1 2 302.290 1.242 20 5 DDBDLO Cc1ccc[nH+]c1CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450727635 420514942 /nfs/dbraw/zinc/51/49/42/420514942.db2.gz ZCVHUEALGXNDBW-UHFFFAOYSA-N 1 2 312.333 2.386 20 5 DDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492753760 420651910 /nfs/dbraw/zinc/65/19/10/420651910.db2.gz SCXIUHRFBAYPSE-VUUYWXRKSA-N 1 2 312.329 1.936 20 5 DDBDLO C[C@@H](CC(N)=O)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805097 420802286 /nfs/dbraw/zinc/80/22/86/420802286.db2.gz HMOOZMIHUUOTOD-NSHDSACASA-N 1 2 322.365 1.103 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](O)C1 ZINC000448673761 420881453 /nfs/dbraw/zinc/88/14/53/420881453.db2.gz UDUYIYCNXFZXTC-LBPRGKRZSA-N 1 2 316.317 1.377 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456098979 421100462 /nfs/dbraw/zinc/10/04/62/421100462.db2.gz LWKIWQWHLCXVKH-UHFFFAOYSA-N 1 2 304.310 1.178 20 5 DDBDLO Cc1c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000456212710 421122667 /nfs/dbraw/zinc/12/26/67/421122667.db2.gz HGIIJHXSZQCSJL-BETUJISGSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1c(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000456212710 421122669 /nfs/dbraw/zinc/12/26/69/421122669.db2.gz HGIIJHXSZQCSJL-BETUJISGSA-N 1 2 319.361 1.496 20 5 DDBDLO CC(=O)c1cc(NCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000553051790 421598434 /nfs/dbraw/zinc/59/84/34/421598434.db2.gz AVFDROCZAFEHDR-LLVKDONJSA-N 1 2 307.350 1.930 20 5 DDBDLO CC(=O)c1cc(NCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000553051790 421598435 /nfs/dbraw/zinc/59/84/35/421598435.db2.gz AVFDROCZAFEHDR-LLVKDONJSA-N 1 2 307.350 1.930 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592201112 422331247 /nfs/dbraw/zinc/33/12/47/422331247.db2.gz URTACVVQTHFGHB-PWSUYJOCSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592201112 422331252 /nfs/dbraw/zinc/33/12/52/422331252.db2.gz URTACVVQTHFGHB-PWSUYJOCSA-N 1 2 312.297 1.090 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342069830 271289564 /nfs/dbraw/zinc/28/95/64/271289564.db2.gz YHDTXEIMBRERTR-UHFFFAOYSA-N 1 2 322.365 1.216 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342069830 271289568 /nfs/dbraw/zinc/28/95/68/271289568.db2.gz YHDTXEIMBRERTR-UHFFFAOYSA-N 1 2 322.365 1.216 20 5 DDBDLO CNc1nc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000455990770 277304368 /nfs/dbraw/zinc/30/43/68/277304368.db2.gz ICKNIIDGOSVUGJ-QMMMGPOBSA-N 1 2 316.321 1.042 20 5 DDBDLO CNc1nc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000455990770 277304370 /nfs/dbraw/zinc/30/43/70/277304370.db2.gz ICKNIIDGOSVUGJ-QMMMGPOBSA-N 1 2 316.321 1.042 20 5 DDBDLO Cc1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000127016956 281260084 /nfs/dbraw/zinc/26/00/84/281260084.db2.gz FCHDJZFCBSNANA-NSHDSACASA-N 1 2 300.322 1.779 20 5 DDBDLO Cn1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000264339093 294236185 /nfs/dbraw/zinc/23/61/85/294236185.db2.gz PCUDRCKDLILADY-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000353896860 298318519 /nfs/dbraw/zinc/31/85/19/298318519.db2.gz NHJOBTDGXCMNSA-LBPRGKRZSA-N 1 2 307.350 1.892 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000353896860 298318520 /nfs/dbraw/zinc/31/85/20/298318520.db2.gz NHJOBTDGXCMNSA-LBPRGKRZSA-N 1 2 307.350 1.892 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+](C2CC2)C1 ZINC000295248809 300194866 /nfs/dbraw/zinc/19/48/66/300194866.db2.gz DTYUHPXYGXDLBK-LLVKDONJSA-N 1 2 319.361 1.857 20 5 DDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+](C2CC2)C1 ZINC000295248809 300194869 /nfs/dbraw/zinc/19/48/69/300194869.db2.gz DTYUHPXYGXDLBK-LLVKDONJSA-N 1 2 319.361 1.857 20 5 DDBDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494574 301191128 /nfs/dbraw/zinc/19/11/28/301191128.db2.gz RPOAOQQDSNQFEO-LLVKDONJSA-N 1 2 310.354 1.770 20 5 DDBDLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@@H]21 ZINC000370170483 301288664 /nfs/dbraw/zinc/28/86/64/301288664.db2.gz CIZGZWOSZSZJMU-JQWIXIFHSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@@H]21 ZINC000370170483 301288668 /nfs/dbraw/zinc/28/86/68/301288668.db2.gz CIZGZWOSZSZJMU-JQWIXIFHSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@H]21 ZINC000370170482 301288689 /nfs/dbraw/zinc/28/86/89/301288689.db2.gz CIZGZWOSZSZJMU-CMPLNLGQSA-N 1 2 305.334 1.467 20 5 DDBDLO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@H]21 ZINC000370170482 301288691 /nfs/dbraw/zinc/28/86/91/301288691.db2.gz CIZGZWOSZSZJMU-CMPLNLGQSA-N 1 2 305.334 1.467 20 5 DDBDLO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376024425 302026373 /nfs/dbraw/zinc/02/63/73/302026373.db2.gz CQOVLPTXIOUNRW-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO COCC[NH+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355496749 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CC(C)c1[nH]c(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC001179092594 779280750 /nfs/dbraw/zinc/28/07/50/779280750.db2.gz RHSAPUYKJZAJMV-UHFFFAOYSA-N 1 2 306.326 1.344 20 5 DDBDLO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC001116761812 780554270 /nfs/dbraw/zinc/55/42/70/780554270.db2.gz PZXIQWJOMMFESH-JTQLQIEISA-N 1 2 303.322 1.567 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc2[nH+]ccn21 ZINC001360441499 881376766 /nfs/dbraw/zinc/37/67/66/881376766.db2.gz NOXYPBUVMBUTSG-UHFFFAOYSA-N 1 2 300.278 1.386 20 5 DDBDLO Cc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001124044791 859547766 /nfs/dbraw/zinc/54/77/66/859547766.db2.gz XQTAUYBQSMLVKR-NSCUHMNNSA-N 1 2 305.334 1.730 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158702256 864826651 /nfs/dbraw/zinc/82/66/51/864826651.db2.gz PNIMKYWWAUFQGO-LLVKDONJSA-N 1 2 303.322 1.281 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158702256 864826668 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DDBDLO C[N@H+](CCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000457172253 529883692 /nfs/dbraw/zinc/88/36/92/529883692.db2.gz UFGVMLRVPARSCZ-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO C[N@@H+](CCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000457172253 529883693 /nfs/dbraw/zinc/88/36/93/529883693.db2.gz UFGVMLRVPARSCZ-UHFFFAOYSA-N 1 2 307.350 1.905 20 5 DDBDLO COC(=O)COc1ccc(C[NH2+]Cc2cocn2)cc1[N+](=O)[O-] ZINC000616089232 362542058 /nfs/dbraw/zinc/54/20/58/362542058.db2.gz HKCCSFFQIQYXTC-UHFFFAOYSA-N 1 2 321.289 1.424 20 5 DDBDLO COc1cc(CNCC[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1O ZINC000279820559 215174527 /nfs/dbraw/zinc/17/45/27/215174527.db2.gz PIFOQUYTXZNSID-UHFFFAOYSA-N 1 2 307.350 1.661 20 5 DDBDLO COc1cc(CNCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1O ZINC000279820559 215174530 /nfs/dbraw/zinc/17/45/30/215174530.db2.gz PIFOQUYTXZNSID-UHFFFAOYSA-N 1 2 307.350 1.661 20 5 DDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000266849727 186358399 /nfs/dbraw/zinc/35/83/99/186358399.db2.gz CLLIDSQMUYWSHE-UHFFFAOYSA-N 1 2 312.395 1.038 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000287208647 219381929 /nfs/dbraw/zinc/38/19/29/219381929.db2.gz IGJJTNGWMJPGHO-LBPRGKRZSA-N 1 2 320.393 1.845 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046387176 352451513 /nfs/dbraw/zinc/45/15/13/352451513.db2.gz HTOKXWCQPKQERX-UHFFFAOYSA-N 1 2 315.333 1.689 20 5 DDBDLO Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000081015436 353645048 /nfs/dbraw/zinc/64/50/48/353645048.db2.gz ROWWTWWTEDXLCG-AWEZNQCLSA-N 1 2 309.366 1.033 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CCO)CC1 ZINC000093940791 353908510 /nfs/dbraw/zinc/90/85/10/353908510.db2.gz AYDGORDOZBRPDB-UHFFFAOYSA-N 1 2 321.377 1.270 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000140204361 354134521 /nfs/dbraw/zinc/13/45/21/354134521.db2.gz PHKXINUQGOMWRX-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000139019822 354124687 /nfs/dbraw/zinc/12/46/87/354124687.db2.gz ROVBBFWNSCKVBU-ZDUSSCGKSA-N 1 2 322.340 1.724 20 5 DDBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000139019822 354124688 /nfs/dbraw/zinc/12/46/88/354124688.db2.gz ROVBBFWNSCKVBU-ZDUSSCGKSA-N 1 2 322.340 1.724 20 5 DDBDLO COC(=O)c1cc(C)nc(N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000590567488 355115680 /nfs/dbraw/zinc/11/56/80/355115680.db2.gz JPLGIOPQMKZVTI-UHFFFAOYSA-N 1 2 317.305 1.371 20 5 DDBDLO Nc1ccc(N2CC[NH+](Cc3cccnc3)CC2)nc1[N+](=O)[O-] ZINC000590571831 355116710 /nfs/dbraw/zinc/11/67/10/355116710.db2.gz IFSCBTSTMMQOGT-UHFFFAOYSA-N 1 2 314.349 1.289 20 5 DDBDLO O=[N+]([O-])c1cncc(Cl)c1NCC[N@@H+]1CCCOCC1 ZINC000590584353 355120737 /nfs/dbraw/zinc/12/07/37/355120737.db2.gz RWBXSLABZGMTNT-UHFFFAOYSA-N 1 2 300.746 1.199 20 5 DDBDLO O=[N+]([O-])c1cncc(Cl)c1NCC[N@H+]1CCCOCC1 ZINC000590584353 355120738 /nfs/dbraw/zinc/12/07/38/355120738.db2.gz RWBXSLABZGMTNT-UHFFFAOYSA-N 1 2 300.746 1.199 20 5 DDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591155553 355256601 /nfs/dbraw/zinc/25/66/01/355256601.db2.gz RHOMADUNLXYKNS-ZDUSSCGKSA-N 1 2 324.356 1.676 20 5 DDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591155553 355256606 /nfs/dbraw/zinc/25/66/06/355256606.db2.gz RHOMADUNLXYKNS-ZDUSSCGKSA-N 1 2 324.356 1.676 20 5 DDBDLO COC(=O)c1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000346430385 283091664 /nfs/dbraw/zinc/09/16/64/283091664.db2.gz ZJNQIPATDLTTNL-UHFFFAOYSA-N 1 2 318.289 1.377 20 5 DDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000593618534 355944515 /nfs/dbraw/zinc/94/45/15/355944515.db2.gz ONWHMTHVINRXOU-LBPRGKRZSA-N 1 2 318.308 1.604 20 5 DDBDLO Cc1noc(C[N@@H+]2CCCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000595403386 356479942 /nfs/dbraw/zinc/47/99/42/356479942.db2.gz DMBVNILUQIZSCZ-UHFFFAOYSA-N 1 2 304.297 1.664 20 5 DDBDLO Cc1noc(C[N@H+]2CCCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000595403386 356479943 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186930464 200033586 /nfs/dbraw/zinc/03/35/86/200033586.db2.gz OYIFHOCZWLOGNA-MFKMUULPSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186930464 200033588 /nfs/dbraw/zinc/03/35/88/200033588.db2.gz OYIFHOCZWLOGNA-MFKMUULPSA-N 1 2 323.349 1.245 20 5 DDBDLO Cn1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000609131484 360263141 /nfs/dbraw/zinc/26/31/41/360263141.db2.gz QSJZKLNVXJFBMO-LLVKDONJSA-N 1 2 303.322 1.607 20 5 DDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2[nH+]ccn2c1 ZINC000609623010 360337207 /nfs/dbraw/zinc/33/72/07/360337207.db2.gz DLCIHLHBFZVORH-UHFFFAOYSA-N 1 2 300.278 1.468 20 5 DDBDLO COc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000281677190 216466471 /nfs/dbraw/zinc/46/64/71/216466471.db2.gz UHCUAOYWFZXTIZ-UHFFFAOYSA-N 1 2 304.306 1.908 20 5 DDBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000281683373 216471594 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CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCNC(=O)CC1 ZINC000104679050 194025339 /nfs/dbraw/zinc/02/53/39/194025339.db2.gz TWXDGZOGTRGXDM-UHFFFAOYSA-N 1 2 307.350 1.704 20 5 DDBDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273962979 211219076 /nfs/dbraw/zinc/21/90/76/211219076.db2.gz GSUHYRRXJKHAPI-NXEZZACHSA-N 1 2 318.337 1.401 20 5 DDBDLO CN(C)c1[nH+]cccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000339003493 250242236 /nfs/dbraw/zinc/24/22/36/250242236.db2.gz NHMUNADKGPKBSS-UHFFFAOYSA-N 1 2 315.333 1.767 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118445 250301308 /nfs/dbraw/zinc/30/13/08/250301308.db2.gz LUBDVYFUSYQKKS-BHYNMZESSA-N 1 2 305.334 1.386 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118445 250301312 /nfs/dbraw/zinc/30/13/12/250301312.db2.gz LUBDVYFUSYQKKS-BHYNMZESSA-N 1 2 305.334 1.386 20 5 DDBDLO CNC(=O)CCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285363793 218398939 /nfs/dbraw/zinc/39/89/39/218398939.db2.gz BQAKGPULFMEATF-UHFFFAOYSA-N 1 2 301.293 1.831 20 5 DDBDLO CNC(=O)CCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285363793 218398941 /nfs/dbraw/zinc/39/89/41/218398941.db2.gz BQAKGPULFMEATF-UHFFFAOYSA-N 1 2 301.293 1.831 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CC1 ZINC000340939432 251289930 /nfs/dbraw/zinc/28/99/30/251289930.db2.gz ZNFHXQNMTBRKTC-UHFFFAOYSA-N 1 2 309.370 1.396 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000269163042 207285360 /nfs/dbraw/zinc/28/53/60/207285360.db2.gz PBGHEQIJACRCRH-UHFFFAOYSA-N 1 2 302.334 1.883 20 5 DDBDLO C[NH+](C)Cc1csc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 ZINC000412418856 224027109 /nfs/dbraw/zinc/02/71/09/224027109.db2.gz GLMUZVABQDVENG-UHFFFAOYSA-N 1 2 323.334 1.466 20 5 DDBDLO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000352416907 285036764 /nfs/dbraw/zinc/03/67/64/285036764.db2.gz LXCNBXMERFPOPN-CQSZACIVSA-N 1 2 307.350 1.560 20 5 DDBDLO COc1cc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000352416907 285036766 /nfs/dbraw/zinc/03/67/66/285036766.db2.gz LXCNBXMERFPOPN-CQSZACIVSA-N 1 2 307.350 1.560 20 5 DDBDLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000270091772 208148564 /nfs/dbraw/zinc/14/85/64/208148564.db2.gz HPYLAZFGMATUJC-OAHLLOKOSA-N 1 2 316.317 1.689 20 5 DDBDLO C[C@H](CC(N)=O)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353396743 285706527 /nfs/dbraw/zinc/70/65/27/285706527.db2.gz VBCMECCJYPZAIX-YGRLFVJLSA-N 1 2 317.349 1.271 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000360903895 306990711 /nfs/dbraw/zinc/99/07/11/306990711.db2.gz LSRYMTXCXMLXNX-GHMZBOCLSA-N 1 2 311.386 1.641 20 5 DDBDLO Cc1ccc(C)c(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000579733166 422827227 /nfs/dbraw/zinc/82/72/27/422827227.db2.gz IRQHXZOBBYGCIP-UHFFFAOYSA-N 1 2 324.362 1.755 20 5 DDBDLO Cc1ccc(C)c(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000579733166 422827231 /nfs/dbraw/zinc/82/72/31/422827231.db2.gz IRQHXZOBBYGCIP-UHFFFAOYSA-N 1 2 324.362 1.755 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089153134 407124785 /nfs/dbraw/zinc/12/47/85/407124785.db2.gz UXVQAONIPBMIMF-HOTGVXAUSA-N 1 2 322.361 1.853 20 5 DDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089153134 407124788 /nfs/dbraw/zinc/12/47/88/407124788.db2.gz UXVQAONIPBMIMF-HOTGVXAUSA-N 1 2 322.361 1.853 20 5 DDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000114854243 407624892 /nfs/dbraw/zinc/62/48/92/407624892.db2.gz ZTRPKJWBRQVTLM-AWEZNQCLSA-N 1 2 305.334 1.188 20 5 DDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000114854243 407624902 /nfs/dbraw/zinc/62/49/02/407624902.db2.gz ZTRPKJWBRQVTLM-AWEZNQCLSA-N 1 2 305.334 1.188 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266851748 407653424 /nfs/dbraw/zinc/65/34/24/407653424.db2.gz DUANKHCKNRZOQM-GFCCVEGCSA-N 1 2 320.393 1.537 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000266851748 407653427 /nfs/dbraw/zinc/65/34/27/407653427.db2.gz DUANKHCKNRZOQM-GFCCVEGCSA-N 1 2 320.393 1.537 20 5 DDBDLO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000261955767 407689682 /nfs/dbraw/zinc/68/96/82/407689682.db2.gz XCPYCIQUBBLVLN-WFASDCNBSA-N 1 2 323.349 1.771 20 5 DDBDLO Cc1c(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000152864042 407706027 /nfs/dbraw/zinc/70/60/27/407706027.db2.gz IUFPRIHOXSSVSM-KBPBESRZSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1c(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000152864042 407706030 /nfs/dbraw/zinc/70/60/30/407706030.db2.gz IUFPRIHOXSSVSM-KBPBESRZSA-N 1 2 305.334 1.058 20 5 DDBDLO O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266891633 407664110 /nfs/dbraw/zinc/66/41/10/407664110.db2.gz DDZCLPSCKXPBKN-SECBINFHSA-N 1 2 313.741 1.501 20 5 DDBDLO O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266891633 407664113 /nfs/dbraw/zinc/66/41/13/407664113.db2.gz DDZCLPSCKXPBKN-SECBINFHSA-N 1 2 313.741 1.501 20 5 DDBDLO C[C@@H](O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000118719444 407938742 /nfs/dbraw/zinc/93/87/42/407938742.db2.gz HDUPMPXVYUUAID-SNVBAGLBSA-N 1 2 304.306 1.281 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269478015 408323459 /nfs/dbraw/zinc/32/34/59/408323459.db2.gz JYRMHUGFVBNZGZ-JTQLQIEISA-N 1 2 320.353 1.704 20 5 DDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000172115661 162257803 /nfs/dbraw/zinc/25/78/03/162257803.db2.gz AOOABEKULVYRNW-LLVKDONJSA-N 1 2 311.363 1.249 20 5 DDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000172115661 162257806 /nfs/dbraw/zinc/25/78/06/162257806.db2.gz AOOABEKULVYRNW-LLVKDONJSA-N 1 2 311.363 1.249 20 5 DDBDLO Cc1nc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000159779073 408433346 /nfs/dbraw/zinc/43/33/46/408433346.db2.gz PLGNLJJIHUGCON-UHFFFAOYSA-N 1 2 308.363 1.653 20 5 DDBDLO Cc1nc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000159779073 408433349 /nfs/dbraw/zinc/43/33/49/408433349.db2.gz PLGNLJJIHUGCON-UHFFFAOYSA-N 1 2 308.363 1.653 20 5 DDBDLO C[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000176960055 408485215 /nfs/dbraw/zinc/48/52/15/408485215.db2.gz WNTVRKRZSKDZIC-LLVKDONJSA-N 1 2 300.380 1.707 20 5 DDBDLO C[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000176960055 408485217 /nfs/dbraw/zinc/48/52/17/408485217.db2.gz WNTVRKRZSKDZIC-LLVKDONJSA-N 1 2 300.380 1.707 20 5 DDBDLO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192012832 408526167 /nfs/dbraw/zinc/52/61/67/408526167.db2.gz ZHKGVQFVAIKZRR-AWEZNQCLSA-N 1 2 321.377 1.966 20 5 DDBDLO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192012832 408526169 /nfs/dbraw/zinc/52/61/69/408526169.db2.gz ZHKGVQFVAIKZRR-AWEZNQCLSA-N 1 2 321.377 1.966 20 5 DDBDLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192012832 408526175 /nfs/dbraw/zinc/52/61/75/408526175.db2.gz ZHKGVQFVAIKZRR-AWEZNQCLSA-N 1 2 321.377 1.966 20 5 DDBDLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192012832 408526179 /nfs/dbraw/zinc/52/61/79/408526179.db2.gz ZHKGVQFVAIKZRR-AWEZNQCLSA-N 1 2 321.377 1.966 20 5 DDBDLO COCC[NH+](CCOC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184228597 408572719 /nfs/dbraw/zinc/57/27/19/408572719.db2.gz KQAAVXCIVMXENP-UHFFFAOYSA-N 1 2 316.329 1.837 20 5 DDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1 ZINC000276095145 408820789 /nfs/dbraw/zinc/82/07/89/408820789.db2.gz REVZZLDSICWQLI-UHFFFAOYSA-N 1 2 324.362 1.697 20 5 DDBDLO COCCN1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000190755140 163157437 /nfs/dbraw/zinc/15/74/37/163157437.db2.gz VFMXLYKOQVGGRP-UHFFFAOYSA-N 1 2 307.350 1.276 20 5 DDBDLO COCCN1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000190755140 163157438 /nfs/dbraw/zinc/15/74/38/163157438.db2.gz VFMXLYKOQVGGRP-UHFFFAOYSA-N 1 2 307.350 1.276 20 5 DDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000193655081 163264954 /nfs/dbraw/zinc/26/49/54/163264954.db2.gz MCOMHUAQTSQUHM-UHFFFAOYSA-N 1 2 318.333 1.767 20 5 DDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292255517 409010463 /nfs/dbraw/zinc/01/04/63/409010463.db2.gz PDSUXYSVPSCTAR-NSHDSACASA-N 1 2 316.354 1.600 20 5 DDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292255517 409010467 /nfs/dbraw/zinc/01/04/67/409010467.db2.gz PDSUXYSVPSCTAR-NSHDSACASA-N 1 2 316.354 1.600 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287266540 409010743 /nfs/dbraw/zinc/01/07/43/409010743.db2.gz HLLKEAFAHGVZBU-LBPRGKRZSA-N 1 2 322.752 1.821 20 5 DDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287266540 409010745 /nfs/dbraw/zinc/01/07/45/409010745.db2.gz HLLKEAFAHGVZBU-LBPRGKRZSA-N 1 2 322.752 1.821 20 5 DDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000277806910 409014781 /nfs/dbraw/zinc/01/47/81/409014781.db2.gz GTMXHMLWEKKBME-UHFFFAOYSA-N 1 2 323.324 1.329 20 5 DDBDLO CN1CC[N@H+](C)[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287304866 409016569 /nfs/dbraw/zinc/01/65/69/409016569.db2.gz LOEOOZAHOHWQPG-SECBINFHSA-N 1 2 322.394 1.257 20 5 DDBDLO CN1CC[N@@H+](C)[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287304866 409016571 /nfs/dbraw/zinc/01/65/71/409016571.db2.gz LOEOOZAHOHWQPG-SECBINFHSA-N 1 2 322.394 1.257 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294017886 409226490 /nfs/dbraw/zinc/22/64/90/409226490.db2.gz QGVSHFHNWMBGGZ-AOOOYVTPSA-N 1 2 309.370 1.435 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294017886 409226494 /nfs/dbraw/zinc/22/64/94/409226494.db2.gz QGVSHFHNWMBGGZ-AOOOYVTPSA-N 1 2 309.370 1.435 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000283980894 409252366 /nfs/dbraw/zinc/25/23/66/409252366.db2.gz HJVHWGRADARSSY-ZIAGYGMSSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000283980894 409252369 /nfs/dbraw/zinc/25/23/69/409252369.db2.gz HJVHWGRADARSSY-ZIAGYGMSSA-N 1 2 319.361 1.448 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000294362427 409286480 /nfs/dbraw/zinc/28/64/80/409286480.db2.gz ZYNMACCAAZQGIU-PHIMTYICSA-N 1 2 306.240 1.151 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000294362427 409286483 /nfs/dbraw/zinc/28/64/83/409286483.db2.gz ZYNMACCAAZQGIU-PHIMTYICSA-N 1 2 306.240 1.151 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263884 409404757 /nfs/dbraw/zinc/40/47/57/409404757.db2.gz HGFPPSGRNABMTI-JTQLQIEISA-N 1 2 322.296 1.790 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263884 409404764 /nfs/dbraw/zinc/40/47/64/409404764.db2.gz HGFPPSGRNABMTI-JTQLQIEISA-N 1 2 322.296 1.790 20 5 DDBDLO CSc1cccc(C(=O)NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000356752564 409572917 /nfs/dbraw/zinc/57/29/17/409572917.db2.gz CKKRDIHDFWWCPR-UHFFFAOYSA-N 1 2 306.347 1.980 20 5 DDBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331645068 409728453 /nfs/dbraw/zinc/72/84/53/409728453.db2.gz NNFAPIJTCFJHON-SNVBAGLBSA-N 1 2 316.404 1.994 20 5 DDBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331645068 409728460 /nfs/dbraw/zinc/72/84/60/409728460.db2.gz NNFAPIJTCFJHON-SNVBAGLBSA-N 1 2 316.404 1.994 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332274697 410032422 /nfs/dbraw/zinc/03/24/22/410032422.db2.gz XGGXTVYARCIMBR-LSDHHAIUSA-N 1 2 319.361 1.367 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332274697 410032427 /nfs/dbraw/zinc/03/24/27/410032427.db2.gz XGGXTVYARCIMBR-LSDHHAIUSA-N 1 2 319.361 1.367 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000332349449 410086443 /nfs/dbraw/zinc/08/64/43/410086443.db2.gz OYAXCISVTZQXQO-NSHDSACASA-N 1 2 307.350 1.810 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000332349449 410086447 /nfs/dbraw/zinc/08/64/47/410086447.db2.gz OYAXCISVTZQXQO-NSHDSACASA-N 1 2 307.350 1.810 20 5 DDBDLO CCOc1ccc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000355264225 298691851 /nfs/dbraw/zinc/69/18/51/298691851.db2.gz JDMPFTJWNPBXCU-UHFFFAOYSA-N 1 2 304.306 1.657 20 5 DDBDLO CCNc1ccc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000355253744 410401545 /nfs/dbraw/zinc/40/15/45/410401545.db2.gz IWKMIGCMTXJZSV-UHFFFAOYSA-N 1 2 303.322 1.690 20 5 DDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCc1c[nH+]cn1C ZINC000359142368 410565756 /nfs/dbraw/zinc/56/57/56/410565756.db2.gz VPCIBULCWMQXNE-UHFFFAOYSA-N 1 2 316.361 1.962 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344165803 411003328 /nfs/dbraw/zinc/00/33/28/411003328.db2.gz BKFRARCAINKIKT-JTQLQIEISA-N 1 2 311.313 1.184 20 5 DDBDLO Cc1cccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000338664950 292559781 /nfs/dbraw/zinc/55/97/81/292559781.db2.gz FYPAXZBBWFGXDA-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])nn3C)ccc2[nH+]1 ZINC000360811748 418523393 /nfs/dbraw/zinc/52/33/93/418523393.db2.gz ITWDJVFCYIGBGW-UHFFFAOYSA-N 1 2 300.278 1.537 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192628681 418524618 /nfs/dbraw/zinc/52/46/18/418524618.db2.gz MDIOSKNBMMMHRP-LBPRGKRZSA-N 1 2 309.370 1.031 20 5 DDBDLO O=[N+]([O-])[C@@H]1C[C@H]1c1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000374844143 418568378 /nfs/dbraw/zinc/56/83/78/418568378.db2.gz KFJLIGQYSPCTOA-UPJWGTAASA-N 1 2 322.365 1.908 20 5 DDBDLO O=[N+]([O-])[C@@H]1C[C@H]1c1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000374844143 418568382 /nfs/dbraw/zinc/56/83/82/418568382.db2.gz KFJLIGQYSPCTOA-UPJWGTAASA-N 1 2 322.365 1.908 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccn3cc[nH+]c3c2)n1 ZINC000191851091 222110669 /nfs/dbraw/zinc/11/06/69/222110669.db2.gz DZZFVGMRZQUGBD-UHFFFAOYSA-N 1 2 314.305 1.389 20 5 DDBDLO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361117909 418586565 /nfs/dbraw/zinc/58/65/65/418586565.db2.gz PTZSASZAQVTHSB-RYUDHWBXSA-N 1 2 305.334 1.418 20 5 DDBDLO CCOC(=O)C1(C)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000367479304 418604180 /nfs/dbraw/zinc/60/41/80/418604180.db2.gz USROHSRZHJJUIB-UHFFFAOYSA-N 1 2 310.354 1.494 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371361770 418782853 /nfs/dbraw/zinc/78/28/53/418782853.db2.gz SRFMKPBCFKHJAQ-LBPRGKRZSA-N 1 2 314.345 1.924 20 5 DDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371361770 418782856 /nfs/dbraw/zinc/78/28/56/418782856.db2.gz SRFMKPBCFKHJAQ-LBPRGKRZSA-N 1 2 314.345 1.924 20 5 DDBDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000371550699 418799505 /nfs/dbraw/zinc/79/95/05/418799505.db2.gz MXFFKRRCLNLOPU-QWHCGFSZSA-N 1 2 324.406 1.151 20 5 DDBDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000371550699 418799506 /nfs/dbraw/zinc/79/95/06/418799506.db2.gz MXFFKRRCLNLOPU-QWHCGFSZSA-N 1 2 324.406 1.151 20 5 DDBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411900136 419458714 /nfs/dbraw/zinc/45/87/14/419458714.db2.gz BCBBAXHBDMFYNU-LLVKDONJSA-N 1 2 324.381 1.986 20 5 DDBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411900136 419458719 /nfs/dbraw/zinc/45/87/19/419458719.db2.gz BCBBAXHBDMFYNU-LLVKDONJSA-N 1 2 324.381 1.986 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411955221 419519116 /nfs/dbraw/zinc/51/91/16/419519116.db2.gz VJYPDFKTWXEUCN-OLZOCXBDSA-N 1 2 302.334 1.636 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411955221 419519126 /nfs/dbraw/zinc/51/91/26/419519126.db2.gz VJYPDFKTWXEUCN-OLZOCXBDSA-N 1 2 302.334 1.636 20 5 DDBDLO CNC(=O)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000412051468 419595538 /nfs/dbraw/zinc/59/55/38/419595538.db2.gz CFKMCEHEQOCYDZ-UHFFFAOYSA-N 1 2 308.338 1.194 20 5 DDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428355935 419851784 /nfs/dbraw/zinc/85/17/84/419851784.db2.gz SCIOXHNXOBCNAC-NSHDSACASA-N 1 2 316.317 1.301 20 5 DDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cocn2)cc1 ZINC000428861673 419942377 /nfs/dbraw/zinc/94/23/77/419942377.db2.gz QFIATYBTOPFEIK-UHFFFAOYSA-N 1 2 311.319 1.146 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429121332 419972499 /nfs/dbraw/zinc/97/24/99/419972499.db2.gz FWYIBWOZDCFIOC-RYUDHWBXSA-N 1 2 307.350 1.687 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429121332 419972503 /nfs/dbraw/zinc/97/25/03/419972503.db2.gz FWYIBWOZDCFIOC-RYUDHWBXSA-N 1 2 307.350 1.687 20 5 DDBDLO O=[N+]([O-])c1cnc(NCC[NH+]2CCC2)c(Br)c1 ZINC000443879074 230034809 /nfs/dbraw/zinc/03/48/09/230034809.db2.gz MXJCPTZBKMXGIM-UHFFFAOYSA-N 1 2 301.144 1.870 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000437883238 420428609 /nfs/dbraw/zinc/42/86/09/420428609.db2.gz VCQFCJCOBAZSHB-UHFFFAOYSA-N 1 2 317.349 1.767 20 5 DDBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000493092576 420755015 /nfs/dbraw/zinc/75/50/15/420755015.db2.gz IJGNDGAMZKKQIF-WAYWQWQTSA-N 1 2 301.306 1.559 20 5 DDBDLO C[C@H](C[C@H](C)O)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808610 420803917 /nfs/dbraw/zinc/80/39/17/420803917.db2.gz VUTRJCYNJLSXBH-OLZOCXBDSA-N 1 2 323.393 1.998 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000523712709 421247097 /nfs/dbraw/zinc/24/70/97/421247097.db2.gz JIENDJLKDZCYAP-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000523712709 421247102 /nfs/dbraw/zinc/24/71/02/421247102.db2.gz JIENDJLKDZCYAP-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc(CC(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000562170110 421342433 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O=C(C[NH+]1CCSCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000103467800 407340498 /nfs/dbraw/zinc/34/04/98/407340498.db2.gz RJIPWRHFYFEPKA-UHFFFAOYSA-N 1 2 307.375 1.533 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000111285768 407406237 /nfs/dbraw/zinc/40/62/37/407406237.db2.gz QLQGPKHPLOTDRJ-GFCCVEGCSA-N 1 2 321.377 1.935 20 5 DDBDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000114854296 407624487 /nfs/dbraw/zinc/62/44/87/407624487.db2.gz UFKQURSOTYJUDC-AWEZNQCLSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000114854296 407624492 /nfs/dbraw/zinc/62/44/92/407624492.db2.gz UFKQURSOTYJUDC-AWEZNQCLSA-N 1 2 319.361 1.496 20 5 DDBDLO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262316487 407797714 /nfs/dbraw/zinc/79/77/14/407797714.db2.gz DOCQLAWQVDTFFS-CYBMUJFWSA-N 1 2 307.350 1.808 20 5 DDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272179340 407805297 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Cc1cc(N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000275769875 408672544 /nfs/dbraw/zinc/67/25/44/408672544.db2.gz RFZXVSFSDQMPGL-CQSZACIVSA-N 1 2 320.393 1.845 20 5 DDBDLO Cc1cc(N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000275769875 408672548 /nfs/dbraw/zinc/67/25/48/408672548.db2.gz RFZXVSFSDQMPGL-CQSZACIVSA-N 1 2 320.393 1.845 20 5 DDBDLO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1[nH+]ccn1C ZINC000161944975 408653387 /nfs/dbraw/zinc/65/33/87/408653387.db2.gz IFYWHWBPVYIGDX-UHFFFAOYSA-N 1 2 303.322 1.399 20 5 DDBDLO CN(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1c[nH+]cn1C ZINC000280888164 408853254 /nfs/dbraw/zinc/85/32/54/408853254.db2.gz ZHBTZSYMDMQTLZ-CQSZACIVSA-N 1 2 317.349 1.247 20 5 DDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)S1 ZINC000287220166 409006602 /nfs/dbraw/zinc/00/66/02/409006602.db2.gz ISOLKIPTYLNDHR-SNVBAGLBSA-N 1 2 321.406 1.790 20 5 DDBDLO COc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000287451391 409038150 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DDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000298055931 410094702 /nfs/dbraw/zinc/09/47/02/410094702.db2.gz JJVQEOXXRLYLRR-JTQLQIEISA-N 1 2 320.271 1.035 20 5 DDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000351760333 410215792 /nfs/dbraw/zinc/21/57/92/410215792.db2.gz UJCFVWYSFQSJFA-PELKAZGASA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000351760333 410215798 /nfs/dbraw/zinc/21/57/98/410215798.db2.gz UJCFVWYSFQSJFA-PELKAZGASA-N 1 2 313.741 1.499 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332454570 410171239 /nfs/dbraw/zinc/17/12/39/410171239.db2.gz NYRSXYWHPAIEOW-UHFFFAOYSA-N 1 2 315.333 1.920 20 5 DDBDLO Cc1ccnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000339662098 410365074 /nfs/dbraw/zinc/36/50/74/410365074.db2.gz GNSRIUNUPVFRRI-GFCCVEGCSA-N 1 2 314.349 1.775 20 5 DDBDLO Cc1ccnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000339662098 410365076 /nfs/dbraw/zinc/36/50/76/410365076.db2.gz GNSRIUNUPVFRRI-GFCCVEGCSA-N 1 2 314.349 1.775 20 5 DDBDLO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000343962622 410849970 /nfs/dbraw/zinc/84/99/70/410849970.db2.gz CIKUMOOFHITJJN-DTWKUNHWSA-N 1 2 319.408 1.417 20 5 DDBDLO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000343962622 410849973 /nfs/dbraw/zinc/84/99/73/410849973.db2.gz CIKUMOOFHITJJN-DTWKUNHWSA-N 1 2 319.408 1.417 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000348431396 410961975 /nfs/dbraw/zinc/96/19/75/410961975.db2.gz VHJCCILHVYPGAK-UHFFFAOYSA-N 1 2 302.290 1.632 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000331142905 410975154 /nfs/dbraw/zinc/97/51/54/410975154.db2.gz LBEVPRNXBDUQJV-YPMHNXCESA-N 1 2 307.350 1.544 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000331142905 410975166 /nfs/dbraw/zinc/97/51/66/410975166.db2.gz LBEVPRNXBDUQJV-YPMHNXCESA-N 1 2 307.350 1.544 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000344241325 411047577 /nfs/dbraw/zinc/04/75/77/411047577.db2.gz ATACZXADERNYIP-QMMMGPOBSA-N 1 2 318.337 1.452 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000344241325 411047580 /nfs/dbraw/zinc/04/75/80/411047580.db2.gz ATACZXADERNYIP-QMMMGPOBSA-N 1 2 318.337 1.452 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417415706 225320725 /nfs/dbraw/zinc/32/07/25/225320725.db2.gz ZOBHFXPZHFEGSB-DUVNUKRYSA-N 1 2 316.361 1.921 20 5 DDBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193724852 222162188 /nfs/dbraw/zinc/16/21/88/222162188.db2.gz ILVOMQXDPOKXCK-UHFFFAOYSA-N 1 2 313.273 1.273 20 5 DDBDLO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000194741712 222181754 /nfs/dbraw/zinc/18/17/54/222181754.db2.gz VEGQGMQLVBXFCQ-UHFFFAOYSA-N 1 2 307.350 1.903 20 5 DDBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cn2c(n1)CCCC2 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CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172189181 198054849 /nfs/dbraw/zinc/05/48/49/198054849.db2.gz RQCNZPXAAZPDLH-IAQYHMDHSA-N 1 2 307.350 1.493 20 5 DDBDLO CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172189181 198054850 /nfs/dbraw/zinc/05/48/50/198054850.db2.gz RQCNZPXAAZPDLH-IAQYHMDHSA-N 1 2 307.350 1.493 20 5 DDBDLO COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000076269383 353410032 /nfs/dbraw/zinc/41/00/32/353410032.db2.gz CJJULHKDWMRYHT-UHFFFAOYSA-N 1 2 318.337 1.624 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000291850625 354447421 /nfs/dbraw/zinc/44/74/21/354447421.db2.gz JQOJSXKATSZWQD-UHFFFAOYSA-N 1 2 318.337 1.240 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000284105456 283028468 /nfs/dbraw/zinc/02/84/68/283028468.db2.gz NVLNVJYWSAURGP-KGLIPLIRSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000284105456 283028469 /nfs/dbraw/zinc/02/84/69/283028469.db2.gz NVLNVJYWSAURGP-KGLIPLIRSA-N 1 2 305.334 1.140 20 5 DDBDLO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000315391759 354493402 /nfs/dbraw/zinc/49/34/02/354493402.db2.gz SOYPUUMILVUEEJ-VIFPVBQESA-N 1 2 317.342 1.106 20 5 DDBDLO C[N@H+]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000315391759 354493404 /nfs/dbraw/zinc/49/34/04/354493404.db2.gz SOYPUUMILVUEEJ-VIFPVBQESA-N 1 2 317.342 1.106 20 5 DDBDLO COc1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000587045372 354878979 /nfs/dbraw/zinc/87/89/79/354878979.db2.gz OKAWFSVANCDJTC-SNVBAGLBSA-N 1 2 316.317 1.545 20 5 DDBDLO Cn1cc[nH+]c1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587866736 354886559 /nfs/dbraw/zinc/88/65/59/354886559.db2.gz SVIIJAUTEZBHMT-UHFFFAOYSA-N 1 2 316.321 1.131 20 5 DDBDLO COC(=O)c1ccnc(Nc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000590569522 355116383 /nfs/dbraw/zinc/11/63/83/355116383.db2.gz NLAIUQWTXJPJGM-UHFFFAOYSA-N 1 2 317.305 1.981 20 5 DDBDLO CC1(C)C[N@H+](CCNc2c(Cl)cncc2[N+](=O)[O-])CCO1 ZINC000590575599 355118608 /nfs/dbraw/zinc/11/86/08/355118608.db2.gz LBLVSMPZHBCNBC-UHFFFAOYSA-N 1 2 314.773 1.588 20 5 DDBDLO CC1(C)C[N@@H+](CCNc2c(Cl)cncc2[N+](=O)[O-])CCO1 ZINC000590575599 355118610 /nfs/dbraw/zinc/11/86/10/355118610.db2.gz LBLVSMPZHBCNBC-UHFFFAOYSA-N 1 2 314.773 1.588 20 5 DDBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nc2ncccn2n1 ZINC000565215742 304054313 /nfs/dbraw/zinc/05/43/13/304054313.db2.gz CGIAFFZOMHWTFY-LBPRGKRZSA-N 1 2 310.317 1.810 20 5 DDBDLO COc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000618120920 363464809 /nfs/dbraw/zinc/46/48/09/363464809.db2.gz XRDQOIJJXJEWGK-MFKMUULPSA-N 1 2 323.349 1.052 20 5 DDBDLO COc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000618120920 363464812 /nfs/dbraw/zinc/46/48/12/363464812.db2.gz XRDQOIJJXJEWGK-MFKMUULPSA-N 1 2 323.349 1.052 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000595401617 356479661 /nfs/dbraw/zinc/47/96/61/356479661.db2.gz GPSVHNBHRCDZLK-UHFFFAOYSA-N 1 2 304.306 1.737 20 5 DDBDLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595591490 356566352 /nfs/dbraw/zinc/56/63/52/356566352.db2.gz IPYPTMBBKLGPDQ-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595591490 356566355 /nfs/dbraw/zinc/56/63/55/356566355.db2.gz IPYPTMBBKLGPDQ-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595591490 356566357 /nfs/dbraw/zinc/56/63/57/356566357.db2.gz IPYPTMBBKLGPDQ-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595591490 356566359 /nfs/dbraw/zinc/56/63/59/356566359.db2.gz IPYPTMBBKLGPDQ-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO COc1cc(C[N@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])cc1F ZINC000595772019 356646298 /nfs/dbraw/zinc/64/62/98/356646298.db2.gz GJGZEECQHGSAFW-UHFFFAOYSA-N 1 2 311.313 1.407 20 5 DDBDLO COc1cc(C[N@@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])cc1F ZINC000595772019 356646303 /nfs/dbraw/zinc/64/63/03/356646303.db2.gz GJGZEECQHGSAFW-UHFFFAOYSA-N 1 2 311.313 1.407 20 5 DDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618284593 363564717 /nfs/dbraw/zinc/56/47/17/363564717.db2.gz YTUVFXNQSOHQKG-KOLCDFICSA-N 1 2 315.333 1.324 20 5 DDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618284593 363564719 /nfs/dbraw/zinc/56/47/19/363564719.db2.gz YTUVFXNQSOHQKG-KOLCDFICSA-N 1 2 315.333 1.324 20 5 DDBDLO O=[N+]([O-])c1ccc(N(CC[NH+]2CCOCC2)CC2CC2)cn1 ZINC000596513553 356902550 /nfs/dbraw/zinc/90/25/50/356902550.db2.gz ATOFBECNGLWNNS-UHFFFAOYSA-N 1 2 306.366 1.538 20 5 DDBDLO Cc1cc(OCC(=O)N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000597855424 357358911 /nfs/dbraw/zinc/35/89/11/357358911.db2.gz BUKWFSXSBHMFIK-UHFFFAOYSA-N 1 2 304.306 1.664 20 5 DDBDLO Cc1cc(OCC(=O)N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000597855424 357358916 /nfs/dbraw/zinc/35/89/16/357358916.db2.gz BUKWFSXSBHMFIK-UHFFFAOYSA-N 1 2 304.306 1.664 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597995831 357412208 /nfs/dbraw/zinc/41/22/08/357412208.db2.gz GPGCXLGADQROEK-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597995831 357412211 /nfs/dbraw/zinc/41/22/11/357412211.db2.gz GPGCXLGADQROEK-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO CNc1c(C(=O)N[C@@H](C)c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000598465788 357593460 /nfs/dbraw/zinc/59/34/60/357593460.db2.gz UOMPUQWZQBEOMG-VIFPVBQESA-N 1 2 303.322 1.861 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950210 357773230 /nfs/dbraw/zinc/77/32/30/357773230.db2.gz PKIDAYJDJUTBPZ-JTQLQIEISA-N 1 2 316.317 1.545 20 5 DDBDLO CNC(=O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599092913 357813637 /nfs/dbraw/zinc/81/36/37/357813637.db2.gz RFLPRJMYEPRZAZ-LLVKDONJSA-N 1 2 300.318 1.715 20 5 DDBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)C[NH+]1CCCC1 ZINC000179438969 199035724 /nfs/dbraw/zinc/03/57/24/199035724.db2.gz JUMKGSVUYQHCOL-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000347967098 283308701 /nfs/dbraw/zinc/30/87/01/283308701.db2.gz QHSOBBSDEXQVPC-SNVBAGLBSA-N 1 2 303.322 1.997 20 5 DDBDLO Cc1cc(OCC(=O)N2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000599951948 358088725 /nfs/dbraw/zinc/08/87/25/358088725.db2.gz IVZYBAWUPXHEOS-UHFFFAOYSA-N 1 2 316.317 1.590 20 5 DDBDLO Cc1cc(OCC(=O)N2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000599951948 358088727 /nfs/dbraw/zinc/08/87/27/358088727.db2.gz IVZYBAWUPXHEOS-UHFFFAOYSA-N 1 2 316.317 1.590 20 5 DDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601031874 358387574 /nfs/dbraw/zinc/38/75/74/358387574.db2.gz RNAZVZDUOFMKJO-UHFFFAOYSA-N 1 2 311.313 1.138 20 5 DDBDLO COc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000601149143 358422520 /nfs/dbraw/zinc/42/25/20/358422520.db2.gz JPOXZZJMYQWPLU-MRXNPFEDSA-N 1 2 317.345 1.996 20 5 DDBDLO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000181111354 199253779 /nfs/dbraw/zinc/25/37/79/199253779.db2.gz CKMDLDMHJNLWMK-SNVBAGLBSA-N 1 2 303.322 1.440 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC2(C1)CCCO2 ZINC000601962994 358755148 /nfs/dbraw/zinc/75/51/48/358755148.db2.gz ITFYVTYDVFKZST-LBPRGKRZSA-N 1 2 308.334 1.199 20 5 DDBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])[C@H]2C1 ZINC000602483397 359008839 /nfs/dbraw/zinc/00/88/39/359008839.db2.gz GOMRFVQPHMYFGS-FRRDWIJNSA-N 1 2 310.354 1.097 20 5 DDBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])[C@H]2C1 ZINC000602483397 359008841 /nfs/dbraw/zinc/00/88/41/359008841.db2.gz GOMRFVQPHMYFGS-FRRDWIJNSA-N 1 2 310.354 1.097 20 5 DDBDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602748996 359166958 /nfs/dbraw/zinc/16/69/58/359166958.db2.gz ISYMLYGIGUJZIR-HNNXBMFYSA-N 1 2 308.334 1.749 20 5 DDBDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602748996 359166962 /nfs/dbraw/zinc/16/69/62/359166962.db2.gz ISYMLYGIGUJZIR-HNNXBMFYSA-N 1 2 308.334 1.749 20 5 DDBDLO C[C@](O)(C[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CC1 ZINC000602802676 359201727 /nfs/dbraw/zinc/20/17/27/359201727.db2.gz SBMVPWCEHWZLTO-HOCLYGCPSA-N 1 2 321.377 1.260 20 5 DDBDLO C[C@](O)(C[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CC1 ZINC000602802676 359201731 /nfs/dbraw/zinc/20/17/31/359201731.db2.gz SBMVPWCEHWZLTO-HOCLYGCPSA-N 1 2 321.377 1.260 20 5 DDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609355028 360300912 /nfs/dbraw/zinc/30/09/12/360300912.db2.gz XLXRMUYCMCSXPR-UHFFFAOYSA-N 1 2 305.315 1.955 20 5 DDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131172 360262679 /nfs/dbraw/zinc/26/26/79/360262679.db2.gz JLLCOALVVVCJIU-LLVKDONJSA-N 1 2 303.322 1.607 20 5 DDBDLO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)C(N)=O ZINC000610581987 360475410 /nfs/dbraw/zinc/47/54/10/360475410.db2.gz DRMXLOVQFSIKSR-VIFPVBQESA-N 1 2 322.321 1.058 20 5 DDBDLO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)C(N)=O ZINC000610581987 360475416 /nfs/dbraw/zinc/47/54/16/360475416.db2.gz DRMXLOVQFSIKSR-VIFPVBQESA-N 1 2 322.321 1.058 20 5 DDBDLO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610615528 360482554 /nfs/dbraw/zinc/48/25/54/360482554.db2.gz MLYYSUDCUXFJDG-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO COC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610615528 360482561 /nfs/dbraw/zinc/48/25/61/360482561.db2.gz MLYYSUDCUXFJDG-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO COc1ccc(NC(=O)C[N@@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610990571 360592451 /nfs/dbraw/zinc/59/24/51/360592451.db2.gz AUJGHOHTUHWQRC-LLVKDONJSA-N 1 2 323.349 1.653 20 5 DDBDLO COc1ccc(NC(=O)C[N@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610990571 360592454 /nfs/dbraw/zinc/59/24/54/360592454.db2.gz AUJGHOHTUHWQRC-LLVKDONJSA-N 1 2 323.349 1.653 20 5 DDBDLO Cc1[nH+]c2cc(NC(=O)c3c[nH]nc3[N+](=O)[O-])ccc2n1C ZINC000619788307 364150965 /nfs/dbraw/zinc/15/09/65/364150965.db2.gz LIULMJMCRQEYAF-UHFFFAOYSA-N 1 2 300.278 1.765 20 5 DDBDLO C[C@](O)(C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000332697445 291343319 /nfs/dbraw/zinc/34/33/19/291343319.db2.gz TWTLZYFTAOPHBX-NSHDSACASA-N 1 2 305.256 1.661 20 5 DDBDLO C[C@](O)(C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000332697445 291343320 /nfs/dbraw/zinc/34/33/20/291343320.db2.gz TWTLZYFTAOPHBX-NSHDSACASA-N 1 2 305.256 1.661 20 5 DDBDLO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000017854261 182086974 /nfs/dbraw/zinc/08/69/74/182086974.db2.gz PMIBYVUBUVXFBE-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023991874 182371054 /nfs/dbraw/zinc/37/10/54/182371054.db2.gz ITUXCPNARJDEIU-SNVBAGLBSA-N 1 2 313.741 1.643 20 5 DDBDLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023991874 182371056 /nfs/dbraw/zinc/37/10/56/182371056.db2.gz ITUXCPNARJDEIU-SNVBAGLBSA-N 1 2 313.741 1.643 20 5 DDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1[nH]cc[nH+]1 ZINC000174760094 248379723 /nfs/dbraw/zinc/37/97/23/248379723.db2.gz OOBJMQXVOSYIOA-UHFFFAOYSA-N 1 2 308.725 1.873 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598964 194019107 /nfs/dbraw/zinc/01/91/07/194019107.db2.gz YMVNQTZLZLGYHM-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000104774626 194037593 /nfs/dbraw/zinc/03/75/93/194037593.db2.gz YWEBFDWQZBPIQD-NEPJUHHUSA-N 1 2 322.365 1.826 20 5 DDBDLO COCC1(O)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285363817 218398971 /nfs/dbraw/zinc/39/89/71/218398971.db2.gz BQGLCRKXIBRDMH-UHFFFAOYSA-N 1 2 316.304 1.846 20 5 DDBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCn1cc[nH+]c1 ZINC000273523635 210841528 /nfs/dbraw/zinc/84/15/28/210841528.db2.gz XFHMVPPJHNMJIX-UHFFFAOYSA-N 1 2 317.305 1.860 20 5 DDBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000341041464 251349748 /nfs/dbraw/zinc/34/97/48/251349748.db2.gz HCCJALLXNNDKJN-YPMHNXCESA-N 1 2 307.350 1.544 20 5 DDBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000341041464 251349753 /nfs/dbraw/zinc/34/97/53/251349753.db2.gz HCCJALLXNNDKJN-YPMHNXCESA-N 1 2 307.350 1.544 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452064064 533138994 /nfs/dbraw/zinc/13/89/94/533138994.db2.gz DLOUWUIXVIUPLZ-JQWIXIFHSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452064064 533138996 /nfs/dbraw/zinc/13/89/96/533138996.db2.gz DLOUWUIXVIUPLZ-JQWIXIFHSA-N 1 2 323.349 1.245 20 5 DDBDLO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352840031 285329792 /nfs/dbraw/zinc/32/97/92/285329792.db2.gz AZRNWIMFMZLKIJ-LLVKDONJSA-N 1 2 323.349 1.141 20 5 DDBDLO COc1cc(C(=O)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1F ZINC000451869665 533526983 /nfs/dbraw/zinc/52/69/83/533526983.db2.gz SDWMMZXWJZEFCP-UHFFFAOYSA-N 1 2 320.280 1.595 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000302130673 296519684 /nfs/dbraw/zinc/51/96/84/296519684.db2.gz XYSXMDQPZYTZOO-LBPRGKRZSA-N 1 2 307.354 1.076 20 5 DDBDLO Cc1c(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000045960139 407051959 /nfs/dbraw/zinc/05/19/59/407051959.db2.gz PNVLQSKKIJTPDN-LLVKDONJSA-N 1 2 322.365 1.745 20 5 DDBDLO Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000101569060 407311220 /nfs/dbraw/zinc/31/12/20/407311220.db2.gz FCSVDJPSJVSFOP-UHFFFAOYSA-N 1 2 310.335 1.078 20 5 DDBDLO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000255374470 407472672 /nfs/dbraw/zinc/47/26/72/407472672.db2.gz HSZDCMWJQGSBMZ-HWPRWLFBSA-N 1 2 307.350 1.430 20 5 DDBDLO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000255374470 407472677 /nfs/dbraw/zinc/47/26/77/407472677.db2.gz HSZDCMWJQGSBMZ-HWPRWLFBSA-N 1 2 307.350 1.430 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000170772508 407497446 /nfs/dbraw/zinc/49/74/46/407497446.db2.gz UDRBDOPWUBMPQK-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000170772508 407497454 /nfs/dbraw/zinc/49/74/54/407497454.db2.gz UDRBDOPWUBMPQK-GFCCVEGCSA-N 1 2 307.350 1.953 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170860655 407534255 /nfs/dbraw/zinc/53/42/55/407534255.db2.gz SCRHTCMYNWKEFB-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO Cc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170860655 407534261 /nfs/dbraw/zinc/53/42/61/407534261.db2.gz SCRHTCMYNWKEFB-UHFFFAOYSA-N 1 2 321.377 1.744 20 5 DDBDLO C[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000171732174 407753972 /nfs/dbraw/zinc/75/39/72/407753972.db2.gz ZRAXEVFCIFQKIK-UHFFFAOYSA-N 1 2 313.317 1.563 20 5 DDBDLO C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000171732174 407753977 /nfs/dbraw/zinc/75/39/77/407753977.db2.gz ZRAXEVFCIFQKIK-UHFFFAOYSA-N 1 2 313.317 1.563 20 5 DDBDLO CCc1nn(C)c(NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000179569004 407805760 /nfs/dbraw/zinc/80/57/60/407805760.db2.gz ARSKQCLWXSOMPM-UHFFFAOYSA-N 1 2 304.354 1.964 20 5 DDBDLO O=C1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]2N1 ZINC000133463559 407847743 /nfs/dbraw/zinc/84/77/43/407847743.db2.gz AUVNIYIDNHTWEE-CABCVRRESA-N 1 2 319.361 1.717 20 5 DDBDLO O=C1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]2N1 ZINC000133463559 407847751 /nfs/dbraw/zinc/84/77/51/407847751.db2.gz AUVNIYIDNHTWEE-CABCVRRESA-N 1 2 319.361 1.717 20 5 DDBDLO Cc1ccc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000159119881 408384123 /nfs/dbraw/zinc/38/41/23/408384123.db2.gz KWITVAQQYHKYRJ-ZDUSSCGKSA-N 1 2 306.322 1.766 20 5 DDBDLO Cc1ccc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000159119881 408384126 /nfs/dbraw/zinc/38/41/26/408384126.db2.gz KWITVAQQYHKYRJ-ZDUSSCGKSA-N 1 2 306.322 1.766 20 5 DDBDLO C[N@H+](CC(=O)NC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176990366 408491256 /nfs/dbraw/zinc/49/12/56/408491256.db2.gz AWMNRTFAXXKXCQ-UHFFFAOYSA-N 1 2 304.306 1.446 20 5 DDBDLO C[N@@H+](CC(=O)NC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176990366 408491265 /nfs/dbraw/zinc/49/12/65/408491265.db2.gz AWMNRTFAXXKXCQ-UHFFFAOYSA-N 1 2 304.306 1.446 20 5 DDBDLO Cc1cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000265235042 408587409 /nfs/dbraw/zinc/58/74/09/408587409.db2.gz RNKACRYQWLQJLS-NSHDSACASA-N 1 2 324.362 1.467 20 5 DDBDLO C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000280807069 408837944 /nfs/dbraw/zinc/83/79/44/408837944.db2.gz QDWLHYHWXCILOI-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000277353556 408925347 /nfs/dbraw/zinc/92/53/47/408925347.db2.gz UFEHMZZFMNMIJR-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277594527 408973208 /nfs/dbraw/zinc/97/32/08/408973208.db2.gz XCAONSUVRDJVNQ-GTJPDFRWSA-N 1 2 312.391 1.674 20 5 DDBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277594527 408973210 /nfs/dbraw/zinc/97/32/10/408973210.db2.gz XCAONSUVRDJVNQ-GTJPDFRWSA-N 1 2 312.391 1.674 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000279025723 409133145 /nfs/dbraw/zinc/13/31/45/409133145.db2.gz ABAGHNFBLCMQIT-CYBMUJFWSA-N 1 2 321.377 1.316 20 5 DDBDLO CC(C)[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000283142075 409096842 /nfs/dbraw/zinc/09/68/42/409096842.db2.gz XXLSIIATKJWCIE-JTQLQIEISA-N 1 2 305.294 1.546 20 5 DDBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408075846 164220055 /nfs/dbraw/zinc/22/00/55/164220055.db2.gz ZYLWWTSLUVZGDQ-UWVGGRQHSA-N 1 2 317.349 1.636 20 5 DDBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408075846 164220057 /nfs/dbraw/zinc/22/00/57/164220057.db2.gz ZYLWWTSLUVZGDQ-UWVGGRQHSA-N 1 2 317.349 1.636 20 5 DDBDLO COc1cc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)ccc1[N+](=O)[O-] ZINC000348823450 409535176 /nfs/dbraw/zinc/53/51/76/409535176.db2.gz WTZZZQCPEWEZHM-HNNXBMFYSA-N 1 2 307.350 1.833 20 5 DDBDLO COc1cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)ccc1[N+](=O)[O-] ZINC000348823450 409535182 /nfs/dbraw/zinc/53/51/82/409535182.db2.gz WTZZZQCPEWEZHM-HNNXBMFYSA-N 1 2 307.350 1.833 20 5 DDBDLO CC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000322432416 409917916 /nfs/dbraw/zinc/91/79/16/409917916.db2.gz YDHAXCZFPDTCDG-CQSZACIVSA-N 1 2 319.361 1.708 20 5 DDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)Cn1cc[nH+]c1 ZINC000357306313 409967720 /nfs/dbraw/zinc/96/77/20/409967720.db2.gz SOCGRDHAZPLPMY-SNVBAGLBSA-N 1 2 303.322 1.652 20 5 DDBDLO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000346461372 409968329 /nfs/dbraw/zinc/96/83/29/409968329.db2.gz RVWDBMVIYCVUQT-LBPRGKRZSA-N 1 2 305.334 1.410 20 5 DDBDLO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000346461372 409968333 /nfs/dbraw/zinc/96/83/33/409968333.db2.gz RVWDBMVIYCVUQT-LBPRGKRZSA-N 1 2 305.334 1.410 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346483964 409984380 /nfs/dbraw/zinc/98/43/80/409984380.db2.gz KWPAFYJNNVZPDY-CYBMUJFWSA-N 1 2 305.334 1.410 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346483964 409984384 /nfs/dbraw/zinc/98/43/84/409984384.db2.gz KWPAFYJNNVZPDY-CYBMUJFWSA-N 1 2 305.334 1.410 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267075 410026170 /nfs/dbraw/zinc/02/61/70/410026170.db2.gz UOEICVOBXVCYIM-KBPBESRZSA-N 1 2 311.769 1.763 20 5 DDBDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267075 410026176 /nfs/dbraw/zinc/02/61/76/410026176.db2.gz UOEICVOBXVCYIM-KBPBESRZSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267075 410026179 /nfs/dbraw/zinc/02/61/79/410026179.db2.gz UOEICVOBXVCYIM-KBPBESRZSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000332267075 410026186 /nfs/dbraw/zinc/02/61/86/410026186.db2.gz UOEICVOBXVCYIM-KBPBESRZSA-N 1 2 311.769 1.763 20 5 DDBDLO Cc1ccccc1N1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000332422107 410146169 /nfs/dbraw/zinc/14/61/69/410146169.db2.gz RLXRIBVOIYJCST-UHFFFAOYSA-N 1 2 315.377 1.959 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000355092032 410307747 /nfs/dbraw/zinc/30/77/47/410307747.db2.gz VXLFMPKCWBUFFI-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000355092032 410307754 /nfs/dbraw/zinc/30/77/54/410307754.db2.gz VXLFMPKCWBUFFI-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000343348551 410380373 /nfs/dbraw/zinc/38/03/73/410380373.db2.gz YSQBGOUZGWXCFA-ZDUSSCGKSA-N 1 2 319.361 1.496 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000343348551 410380377 /nfs/dbraw/zinc/38/03/77/410380377.db2.gz YSQBGOUZGWXCFA-ZDUSSCGKSA-N 1 2 319.361 1.496 20 5 DDBDLO COc1cc(C[NH+]2[C@H](CO)CC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000347269795 410434589 /nfs/dbraw/zinc/43/45/89/410434589.db2.gz GNQOHWYYHQYMFB-QWRGUYRKSA-N 1 2 314.313 1.060 20 5 DDBDLO Cc1nc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000337829314 411025092 /nfs/dbraw/zinc/02/50/92/411025092.db2.gz VCBKWSLBHVIGRT-UHFFFAOYSA-N 1 2 316.365 1.833 20 5 DDBDLO Cc1nc(N(C)C)nc(N(C)CCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000337829314 411025100 /nfs/dbraw/zinc/02/51/00/411025100.db2.gz VCBKWSLBHVIGRT-UHFFFAOYSA-N 1 2 316.365 1.833 20 5 DDBDLO CC(C)Oc1nc(NC[C@@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000517390720 416802127 /nfs/dbraw/zinc/80/21/27/416802127.db2.gz JYKMVFMOAJDTKZ-GFCCVEGCSA-N 1 2 321.381 1.189 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417397526 225314341 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COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[NH2+]1 ZINC001169131108 762248007 /nfs/dbraw/zinc/24/80/07/762248007.db2.gz VCOWAFICXWZWPR-RNCFNFMXSA-N 1 2 316.317 1.458 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCn2cc[nH+]c2)c1 ZINC001094024418 775349806 /nfs/dbraw/zinc/34/98/06/775349806.db2.gz DVPBQIAFLREYGA-UHFFFAOYSA-N 1 2 317.349 1.718 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC(C)(CO)C2)c1F ZINC001173179751 777035250 /nfs/dbraw/zinc/03/52/50/777035250.db2.gz GLQJELDAWFHZNN-JTQLQIEISA-N 1 2 312.341 1.988 20 5 DDBDLO COC(=O)C[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235762 777064853 /nfs/dbraw/zinc/06/48/53/777064853.db2.gz ZEAQOWPFZVDGRP-DOMZBBRYSA-N 1 2 322.361 1.790 20 5 DDBDLO COC(=O)C[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235762 777064860 /nfs/dbraw/zinc/06/48/60/777064860.db2.gz ZEAQOWPFZVDGRP-DOMZBBRYSA-N 1 2 322.361 1.790 20 5 DDBDLO Nc1[nH+]ccc2c1CN(C(=O)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC001150709180 862428364 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DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001349485669 875202718 /nfs/dbraw/zinc/20/27/18/875202718.db2.gz BKXRGJNJOCLNLR-LLVKDONJSA-N 1 2 319.361 1.791 20 5 DDBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001349485669 875202730 /nfs/dbraw/zinc/20/27/30/875202730.db2.gz BKXRGJNJOCLNLR-LLVKDONJSA-N 1 2 319.361 1.791 20 5 DDBDLO CC[N@@H+]1CCC[C@H](Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001227628258 883112394 /nfs/dbraw/zinc/11/23/94/883112394.db2.gz NZYWARXXSAHILK-QMMMGPOBSA-N 1 2 314.367 1.675 20 5 DDBDLO CC[N@H+]1CCC[C@H](Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001227628258 883112401 /nfs/dbraw/zinc/11/24/01/883112401.db2.gz NZYWARXXSAHILK-QMMMGPOBSA-N 1 2 314.367 1.675 20 5 DDBDLO CC[N@@H+]1CC[C@H](Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001228660531 883602859 /nfs/dbraw/zinc/60/28/59/883602859.db2.gz HCVYOPBZGSUHGI-JTQLQIEISA-N 1 2 314.363 1.471 20 5 DDBDLO CC[N@H+]1CC[C@H](Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001228660531 883602867 /nfs/dbraw/zinc/60/28/67/883602867.db2.gz HCVYOPBZGSUHGI-JTQLQIEISA-N 1 2 314.363 1.471 20 5 DDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001229056036 883794735 /nfs/dbraw/zinc/79/47/35/883794735.db2.gz JXCMCQXEOOQIHI-LLVKDONJSA-N 1 2 324.333 1.481 20 5 DDBDLO [NH3+][C@@H](CO)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247607874 893245976 /nfs/dbraw/zinc/24/59/76/893245976.db2.gz FTCVBZIVXASEFR-NSHDSACASA-N 1 2 307.313 1.825 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1(O)CCCC1)C2 ZINC001262014161 899897415 /nfs/dbraw/zinc/89/74/15/899897415.db2.gz YXLKAAHVYRLIHH-HNNXBMFYSA-N 1 2 306.362 1.967 20 5 DDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1(O)CCCC1)C2 ZINC001262014161 899897421 /nfs/dbraw/zinc/89/74/21/899897421.db2.gz YXLKAAHVYRLIHH-HNNXBMFYSA-N 1 2 306.362 1.967 20 5 DDBDLO COC[C@@]1(CO)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000451930864 231239196 /nfs/dbraw/zinc/23/91/96/231239196.db2.gz NZVPOUOFUYOXLK-AWEZNQCLSA-N 1 2 316.304 1.704 20 5 DDBDLO COC[C@@]1(CO)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000451930864 231239200 /nfs/dbraw/zinc/23/92/00/231239200.db2.gz NZVPOUOFUYOXLK-AWEZNQCLSA-N 1 2 316.304 1.704 20 5 DDBDLO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000458212179 530060875 /nfs/dbraw/zinc/06/08/75/530060875.db2.gz LXNOXMURFKCZDV-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000458212179 530060876 /nfs/dbraw/zinc/06/08/76/530060876.db2.gz LXNOXMURFKCZDV-LLVKDONJSA-N 1 2 307.350 1.762 20 5 DDBDLO Cc1cc(S(=O)(=O)NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000172015434 198025871 /nfs/dbraw/zinc/02/58/71/198025871.db2.gz LFNCCIBBBXQUQR-UHFFFAOYSA-N 1 2 310.335 1.078 20 5 DDBDLO C[C@@H]1CSCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000172589173 198119336 /nfs/dbraw/zinc/11/93/36/198119336.db2.gz DLXOOZNXZFRTKX-LLVKDONJSA-N 1 2 309.391 1.995 20 5 DDBDLO C[C@@H]1CSCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000172589173 198119338 /nfs/dbraw/zinc/11/93/38/198119338.db2.gz DLXOOZNXZFRTKX-LLVKDONJSA-N 1 2 309.391 1.995 20 5 DDBDLO CNc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000047931855 352517072 /nfs/dbraw/zinc/51/70/72/352517072.db2.gz SDQRGMANRBBCRL-SNVBAGLBSA-N 1 2 303.322 1.652 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CO)CC1 ZINC000052807637 352626861 /nfs/dbraw/zinc/62/68/61/352626861.db2.gz SRJBVWZMZZTBSJ-UHFFFAOYSA-N 1 2 307.350 1.546 20 5 DDBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000078251666 353507456 /nfs/dbraw/zinc/50/74/56/353507456.db2.gz CBCYAOTWUZSWFF-UHFFFAOYSA-N 1 2 303.322 1.428 20 5 DDBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092705129 353868379 /nfs/dbraw/zinc/86/83/79/353868379.db2.gz GFCAWOJGBPZCCY-LBPRGKRZSA-N 1 2 307.350 1.791 20 5 DDBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092705129 353868384 /nfs/dbraw/zinc/86/83/84/353868384.db2.gz GFCAWOJGBPZCCY-LBPRGKRZSA-N 1 2 307.350 1.791 20 5 DDBDLO O=C(Cn1cc[nH+]c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126106574 354051536 /nfs/dbraw/zinc/05/15/36/354051536.db2.gz PIRQEXHDVMSACM-UHFFFAOYSA-N 1 2 300.318 1.983 20 5 DDBDLO CCOC(=O)c1ccnc(NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000291238833 354445930 /nfs/dbraw/zinc/44/59/30/354445930.db2.gz XIUUKAPLLXPJLI-UHFFFAOYSA-N 1 2 305.294 1.512 20 5 DDBDLO COC1(CO)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000401755890 354667125 /nfs/dbraw/zinc/66/71/25/354667125.db2.gz RBWGWZKNXAELOK-UHFFFAOYSA-N 1 2 323.349 1.007 20 5 DDBDLO Nc1c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc(F)cc1[N+](=O)[O-] ZINC000587056551 354879449 /nfs/dbraw/zinc/87/94/49/354879449.db2.gz HZOQWZAPJQHPOT-SECBINFHSA-N 1 2 319.296 1.257 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3[nH+]c[nH]c3C2)c1 ZINC000590568084 355115733 /nfs/dbraw/zinc/11/57/33/355115733.db2.gz ZRXCWWVMGWBQCZ-UHFFFAOYSA-N 1 2 302.290 1.667 20 5 DDBDLO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C2COC2)CC1 ZINC000590696354 355150338 /nfs/dbraw/zinc/15/03/38/355150338.db2.gz LBCIDGXPASDZAZ-UHFFFAOYSA-N 1 2 314.345 1.664 20 5 DDBDLO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592488716 355596930 /nfs/dbraw/zinc/59/69/30/355596930.db2.gz MIUAYSLRHHNYAV-LALPHHSUSA-N 1 2 320.393 1.981 20 5 DDBDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593203286 355823219 /nfs/dbraw/zinc/82/32/19/355823219.db2.gz KHMADWBWMGWTKZ-UHFFFAOYSA-N 1 2 311.319 1.149 20 5 DDBDLO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595467253 356504152 /nfs/dbraw/zinc/50/41/52/356504152.db2.gz JNHOAPJJBAFUBX-JTQLQIEISA-N 1 2 303.322 1.889 20 5 DDBDLO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)OC(C)(C)C ZINC000595602587 356571676 /nfs/dbraw/zinc/57/16/76/356571676.db2.gz UBLQVPULHXVLRR-LLVKDONJSA-N 1 2 312.370 1.843 20 5 DDBDLO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)OC(C)(C)C ZINC000595602587 356571680 /nfs/dbraw/zinc/57/16/80/356571680.db2.gz UBLQVPULHXVLRR-LLVKDONJSA-N 1 2 312.370 1.843 20 5 DDBDLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000595625047 356581990 /nfs/dbraw/zinc/58/19/90/356581990.db2.gz JRUIWEXCUGZLBT-MRXNPFEDSA-N 1 2 319.361 1.695 20 5 DDBDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000595625047 356581993 /nfs/dbraw/zinc/58/19/93/356581993.db2.gz JRUIWEXCUGZLBT-MRXNPFEDSA-N 1 2 319.361 1.695 20 5 DDBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918039 356703767 /nfs/dbraw/zinc/70/37/67/356703767.db2.gz NYIILSOESMOLBM-BXKDBHETSA-N 1 2 304.297 1.536 20 5 DDBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918039 356703770 /nfs/dbraw/zinc/70/37/70/356703770.db2.gz NYIILSOESMOLBM-BXKDBHETSA-N 1 2 304.297 1.536 20 5 DDBDLO O=c1[nH]ccc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000596063627 356758558 /nfs/dbraw/zinc/75/85/58/356758558.db2.gz XDXDQPMKRGHZBX-UHFFFAOYSA-N 1 2 304.306 1.611 20 5 DDBDLO COC(=O)c1cc(C)nc(N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000596541254 356911829 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C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352401262 285026170 /nfs/dbraw/zinc/02/61/70/285026170.db2.gz HRPZIPWOKUFKBM-OTYXRUKQSA-N 1 2 316.304 1.845 20 5 DDBDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352401262 285026173 /nfs/dbraw/zinc/02/61/73/285026173.db2.gz HRPZIPWOKUFKBM-OTYXRUKQSA-N 1 2 316.304 1.845 20 5 DDBDLO COCCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189685559 285108722 /nfs/dbraw/zinc/10/87/22/285108722.db2.gz AKQGXYDNHBQPPP-GFCCVEGCSA-N 1 2 323.349 1.271 20 5 DDBDLO COCCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189685559 285108723 /nfs/dbraw/zinc/10/87/23/285108723.db2.gz AKQGXYDNHBQPPP-GFCCVEGCSA-N 1 2 323.349 1.271 20 5 DDBDLO COc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352544931 285129963 /nfs/dbraw/zinc/12/99/63/285129963.db2.gz DUGNFNVHJOWHKW-CHWSQXEVSA-N 1 2 319.361 1.846 20 5 DDBDLO COc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352544931 285129966 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COCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599415 407062049 /nfs/dbraw/zinc/06/20/49/407062049.db2.gz NRUGWRKFHAZDMB-LBPRGKRZSA-N 1 2 309.366 1.568 20 5 DDBDLO Cn1nncc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000092047789 407185420 /nfs/dbraw/zinc/18/54/20/407185420.db2.gz DBZSXSBOCHBVFD-UHFFFAOYSA-N 1 2 302.338 1.046 20 5 DDBDLO CCOc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000061513247 407227934 /nfs/dbraw/zinc/22/79/34/407227934.db2.gz DDBRTCQBHJAUFW-UHFFFAOYSA-N 1 2 318.333 1.999 20 5 DDBDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000125892622 407400230 /nfs/dbraw/zinc/40/02/30/407400230.db2.gz LFFRMSSKJOCVTO-CQSZACIVSA-N 1 2 318.333 1.165 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000112593796 407433347 /nfs/dbraw/zinc/43/33/47/407433347.db2.gz JDXSINIFEOKAFG-LBPRGKRZSA-N 1 2 309.370 1.019 20 5 DDBDLO Cc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000151747352 407490234 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CN(C)c1[nH+]cccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173091695 407862134 /nfs/dbraw/zinc/86/21/34/407862134.db2.gz GTRPILKOJLIOMP-UHFFFAOYSA-N 1 2 314.345 1.915 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272516742 407960331 /nfs/dbraw/zinc/96/03/31/407960331.db2.gz VHANQMVHCUDXEY-SNVBAGLBSA-N 1 2 315.333 1.920 20 5 DDBDLO COCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000153848033 407916342 /nfs/dbraw/zinc/91/63/42/407916342.db2.gz YIJIGZCIOXTFOL-SECBINFHSA-N 1 2 315.757 1.570 20 5 DDBDLO COCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000153848033 407916348 /nfs/dbraw/zinc/91/63/48/407916348.db2.gz YIJIGZCIOXTFOL-SECBINFHSA-N 1 2 315.757 1.570 20 5 DDBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000246691993 408317699 /nfs/dbraw/zinc/31/76/99/408317699.db2.gz JODZZDRDUYNTDN-ZJUUUORDSA-N 1 2 313.379 1.183 20 5 DDBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000246691993 408317702 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Cc1nc(N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000275760993 408669416 /nfs/dbraw/zinc/66/94/16/408669416.db2.gz QTFLLLKNGNDEJJ-AWEZNQCLSA-N 1 2 320.393 1.845 20 5 DDBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000251849612 408787567 /nfs/dbraw/zinc/78/75/67/408787567.db2.gz PUULNAQJLOQFSK-ZJUUUORDSA-N 1 2 313.379 1.183 20 5 DDBDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000251849612 408787570 /nfs/dbraw/zinc/78/75/70/408787570.db2.gz PUULNAQJLOQFSK-ZJUUUORDSA-N 1 2 313.379 1.183 20 5 DDBDLO COC(=O)c1ccc(OCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276290272 408829350 /nfs/dbraw/zinc/82/93/50/408829350.db2.gz JWNVTBIDIYIDNE-NSHDSACASA-N 1 2 324.333 1.481 20 5 DDBDLO COC(=O)c1ccc(OCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276290272 408829352 /nfs/dbraw/zinc/82/93/52/408829352.db2.gz JWNVTBIDIYIDNE-NSHDSACASA-N 1 2 324.333 1.481 20 5 DDBDLO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)[S@]1=O ZINC000285998056 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323.324 1.973 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280243522 409277018 /nfs/dbraw/zinc/27/70/18/409277018.db2.gz BRLAZSODNKLGMF-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280243522 409277019 /nfs/dbraw/zinc/27/70/19/409277019.db2.gz BRLAZSODNKLGMF-WBMJQRKESA-N 1 2 322.361 1.983 20 5 DDBDLO Cc1c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1C ZINC000295874816 409373476 /nfs/dbraw/zinc/37/34/76/409373476.db2.gz AQWNHDUNLLNEAS-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000295595521 409356578 /nfs/dbraw/zinc/35/65/78/409356578.db2.gz ICUMWPBATUAHCD-UHFFFAOYSA-N 1 2 302.334 1.979 20 5 DDBDLO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000319031447 164035156 /nfs/dbraw/zinc/03/51/56/164035156.db2.gz GOVANEHNFHAKQZ-LLVKDONJSA-N 1 2 307.350 1.905 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000407993258 164191532 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Cc1cccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000338667520 410035443 /nfs/dbraw/zinc/03/54/43/410035443.db2.gz DKNCMKJWLQEGRV-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO CCC(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298105407 410117990 /nfs/dbraw/zinc/11/79/90/410117990.db2.gz NVIUSFBZGUMXOW-UHFFFAOYSA-N 1 2 306.366 1.871 20 5 DDBDLO COC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000355053293 410271441 /nfs/dbraw/zinc/27/14/41/410271441.db2.gz OJQQBDAVMOKTOV-YPMHNXCESA-N 1 2 310.350 1.694 20 5 DDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCn2cc[nH+]c2C1 ZINC000347233696 410408183 /nfs/dbraw/zinc/40/81/83/410408183.db2.gz NKGFKLUBJBKPMC-UHFFFAOYSA-N 1 2 305.269 1.978 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347407135 410527574 /nfs/dbraw/zinc/52/75/74/410527574.db2.gz KWYUUKQOQAVVTR-NSHDSACASA-N 1 2 317.349 1.671 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347407135 410527578 /nfs/dbraw/zinc/52/75/78/410527578.db2.gz KWYUUKQOQAVVTR-NSHDSACASA-N 1 2 317.349 1.671 20 5 DDBDLO CN(CC[NH+]1CCOCC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347443863 410553660 /nfs/dbraw/zinc/55/36/60/410553660.db2.gz ZIYVFPNOBXUOOZ-UHFFFAOYSA-N 1 2 317.349 1.306 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCOc1ccc(F)cc1 ZINC000355651184 410625260 /nfs/dbraw/zinc/62/52/60/410625260.db2.gz BUDHWXHDDMSEQZ-UHFFFAOYSA-N 1 2 308.313 1.978 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000355651184 410625276 /nfs/dbraw/zinc/62/52/76/410625276.db2.gz BUDHWXHDDMSEQZ-UHFFFAOYSA-N 1 2 308.313 1.978 20 5 DDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)CCC2 ZINC000337334512 410720375 /nfs/dbraw/zinc/72/03/75/410720375.db2.gz KLENWKSATPAGRP-NSHDSACASA-N 1 2 317.349 1.746 20 5 DDBDLO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330604175 410821139 /nfs/dbraw/zinc/82/11/39/410821139.db2.gz GSGDXPJNLFGFPD-NWDGAFQWSA-N 1 2 309.366 1.187 20 5 DDBDLO C[C@@H](O)C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330604175 410821148 /nfs/dbraw/zinc/82/11/48/410821148.db2.gz GSGDXPJNLFGFPD-NWDGAFQWSA-N 1 2 309.366 1.187 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000348305203 410909406 /nfs/dbraw/zinc/90/94/06/410909406.db2.gz NZZIFRSCDUPXKM-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000348305203 410909412 /nfs/dbraw/zinc/90/94/12/410909412.db2.gz NZZIFRSCDUPXKM-NSHDSACASA-N 1 2 313.379 1.228 20 5 DDBDLO CCN1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000359986684 410986079 /nfs/dbraw/zinc/98/60/79/410986079.db2.gz LHKPOJJAUFIOMS-ZDUSSCGKSA-N 1 2 316.365 1.905 20 5 DDBDLO O=[N+]([O-])c1ncccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000609431775 416654573 /nfs/dbraw/zinc/65/45/73/416654573.db2.gz QKHAIBHRNXJDJS-UHFFFAOYSA-N 1 2 318.337 1.262 20 5 DDBDLO Cc1nc([N+](=O)[O-])c(-c2noc(CCn3cc[nH+]c3)n2)n1C ZINC000350918469 306759249 /nfs/dbraw/zinc/75/92/49/306759249.db2.gz VLXFLLABEVUKMK-UHFFFAOYSA-N 1 2 303.282 1.126 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361025344 418568661 /nfs/dbraw/zinc/56/86/61/418568661.db2.gz ATHHMESTLCRRIN-UHFFFAOYSA-N 1 2 324.287 1.808 20 5 DDBDLO CNc1c(C(=O)N(C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000361211225 418606334 /nfs/dbraw/zinc/60/63/34/418606334.db2.gz GSFBFQKUASVUCZ-UHFFFAOYSA-N 1 2 322.365 1.041 20 5 DDBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000367849896 418646570 /nfs/dbraw/zinc/64/65/70/418646570.db2.gz NOOXWBBOSWYXLT-UONOGXRCSA-N 1 2 305.334 1.705 20 5 DDBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000367849896 418646573 /nfs/dbraw/zinc/64/65/73/418646573.db2.gz NOOXWBBOSWYXLT-UONOGXRCSA-N 1 2 305.334 1.705 20 5 DDBDLO Nc1nc(NCc2cccc(-c3[nH]cc[nH+]3)c2)ncc1[N+](=O)[O-] ZINC000341935502 418626795 /nfs/dbraw/zinc/62/67/95/418626795.db2.gz PBNARHQDHDVKLS-UHFFFAOYSA-N 1 2 311.305 1.391 20 5 DDBDLO 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DDBDLO COc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000428357785 419853948 /nfs/dbraw/zinc/85/39/48/419853948.db2.gz LFJUGEOHEKOXDF-LLVKDONJSA-N 1 2 316.317 1.545 20 5 DDBDLO COc1cc[nH+]cc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000431431313 420238124 /nfs/dbraw/zinc/23/81/24/420238124.db2.gz OFGZNRHHTDKICR-UHFFFAOYSA-N 1 2 311.301 2.554 20 5 DDBDLO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000439295963 420505552 /nfs/dbraw/zinc/50/55/52/420505552.db2.gz OKTXPPOFOXKUJB-YPMHNXCESA-N 1 2 310.350 1.839 20 5 DDBDLO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000439295963 420505554 /nfs/dbraw/zinc/50/55/54/420505554.db2.gz OKTXPPOFOXKUJB-YPMHNXCESA-N 1 2 310.350 1.839 20 5 DDBDLO C[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000450940476 420565550 /nfs/dbraw/zinc/56/55/50/420565550.db2.gz NXSGDKYOGNSWIB-LLVKDONJSA-N 1 2 300.380 1.502 20 5 DDBDLO C[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000450940476 420565554 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CCn1cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000532584452 303290948 /nfs/dbraw/zinc/29/09/48/303290948.db2.gz SEAPABKERIFKIH-UHFFFAOYSA-N 1 2 317.349 1.542 20 5 DDBDLO CCn1cc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000532584452 303290950 /nfs/dbraw/zinc/29/09/50/303290950.db2.gz SEAPABKERIFKIH-UHFFFAOYSA-N 1 2 317.349 1.542 20 5 DDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367260740 307090286 /nfs/dbraw/zinc/09/02/86/307090286.db2.gz ROSWKOSLGSQZQR-AWEZNQCLSA-N 1 2 319.361 1.708 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000369433747 307120067 /nfs/dbraw/zinc/12/00/67/307120067.db2.gz CEOIBIAGZMCQAR-ZWNOBZJWSA-N 1 2 318.333 1.234 20 5 DDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000369433747 307120068 /nfs/dbraw/zinc/12/00/68/307120068.db2.gz CEOIBIAGZMCQAR-ZWNOBZJWSA-N 1 2 318.333 1.234 20 5 DDBDLO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000374524094 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CC[C@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000428070539 419805093 /nfs/dbraw/zinc/80/50/93/419805093.db2.gz BLHVMTQFNNJXCM-NSHDSACASA-N 1 2 322.365 1.018 20 5 DDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492753762 420652515 /nfs/dbraw/zinc/65/25/15/420652515.db2.gz SCXIUHRFBAYPSE-YIALFULDSA-N 1 2 312.329 1.936 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459791940 420873677 /nfs/dbraw/zinc/87/36/77/420873677.db2.gz NNNJOIUXPNTNKQ-LLVKDONJSA-N 1 2 317.349 1.926 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000535907221 421714652 /nfs/dbraw/zinc/71/46/52/421714652.db2.gz UQWWYBHCXKIPFV-JTQLQIEISA-N 1 2 303.322 1.297 20 5 DDBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555308261 421674346 /nfs/dbraw/zinc/67/43/46/421674346.db2.gz JYEAKHIMSNBNAS-UHFFFAOYSA-N 1 2 320.353 1.629 20 5 DDBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574057916 422056997 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20 5 DDBDLO Cc1nn(C)c(-c2nc(Cc3c[nH+]cn3C)no2)c1[N+](=O)[O-] ZINC000357956631 299031385 /nfs/dbraw/zinc/03/13/85/299031385.db2.gz ZTUOTJDJUVVCJW-UHFFFAOYSA-N 1 2 303.282 1.011 20 5 DDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000363876575 300320458 /nfs/dbraw/zinc/32/04/58/300320458.db2.gz QSYIEUFDQSEUMC-JTQLQIEISA-N 1 2 301.306 1.240 20 5 DDBDLO CCCCNC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974341 301249908 /nfs/dbraw/zinc/24/99/08/301249908.db2.gz OMEPIGIONDRZCP-LBPRGKRZSA-N 1 2 309.370 1.345 20 5 DDBDLO CCCCNC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974341 301249910 /nfs/dbraw/zinc/24/99/10/301249910.db2.gz OMEPIGIONDRZCP-LBPRGKRZSA-N 1 2 309.370 1.345 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279305368 301862080 /nfs/dbraw/zinc/86/20/80/301862080.db2.gz MUSRDXMFUZRZHX-ZDUSSCGKSA-N 1 2 321.377 1.696 20 5 DDBDLO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376492033 302084032 /nfs/dbraw/zinc/08/40/32/302084032.db2.gz PRRNLKBMJUXYEJ-DGCLKSJQSA-N 1 2 319.361 1.999 20 5 DDBDLO COc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000531823623 303259452 /nfs/dbraw/zinc/25/94/52/303259452.db2.gz SKWZDWBVBGJSRE-SNVBAGLBSA-N 1 2 313.329 1.875 20 5 DDBDLO COc1cc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000531823623 303259455 /nfs/dbraw/zinc/25/94/55/303259455.db2.gz SKWZDWBVBGJSRE-SNVBAGLBSA-N 1 2 313.329 1.875 20 5 DDBDLO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000532143102 303277166 /nfs/dbraw/zinc/27/71/66/303277166.db2.gz BWIWSVWHHSEYIU-AWEZNQCLSA-N 1 2 322.365 1.076 20 5 DDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)cn1 ZINC000535785926 303352852 /nfs/dbraw/zinc/35/28/52/303352852.db2.gz VMTMHARYJWSURL-UHFFFAOYSA-N 1 2 318.333 1.397 20 5 DDBDLO Cn1c[nH+]cc1Cc1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000357941166 306924954 /nfs/dbraw/zinc/92/49/54/306924954.db2.gz CZWNDLOBZVOOJF-UHFFFAOYSA-N 1 2 315.289 1.881 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000365203759 307062288 /nfs/dbraw/zinc/06/22/88/307062288.db2.gz NOSJSQSITBSMPL-SECBINFHSA-N 1 2 304.310 1.071 20 5 DDBDLO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000365275009 307063323 /nfs/dbraw/zinc/06/33/23/307063323.db2.gz NRHCAVJIANTCFG-LBPRGKRZSA-N 1 2 317.349 1.685 20 5 DDBDLO Cc1ncccc1O[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000365275009 307063324 /nfs/dbraw/zinc/06/33/24/307063324.db2.gz NRHCAVJIANTCFG-LBPRGKRZSA-N 1 2 317.349 1.685 20 5 DDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374379382 307206757 /nfs/dbraw/zinc/20/67/57/307206757.db2.gz WFOMLISWVAKUSE-GFCCVEGCSA-N 1 2 318.358 1.838 20 5 DDBDLO CC(C)n1ncnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375920348 307233119 /nfs/dbraw/zinc/23/31/19/307233119.db2.gz NFVQXVNDAHLQBA-UHFFFAOYSA-N 1 2 319.369 1.801 20 5 DDBDLO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000541690592 307692519 /nfs/dbraw/zinc/69/25/19/307692519.db2.gz NLINOOYDXVOUOK-GXSJLCMTSA-N 1 2 322.321 1.377 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000575976978 308283904 /nfs/dbraw/zinc/28/39/04/308283904.db2.gz KXGVIYAJIFBTAM-GWCFXTLKSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000575976978 308283906 /nfs/dbraw/zinc/28/39/06/308283906.db2.gz KXGVIYAJIFBTAM-GWCFXTLKSA-N 1 2 300.742 1.423 20 5 DDBDLO COc1cc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000433260642 533828022 /nfs/dbraw/zinc/82/80/22/533828022.db2.gz ZJBGRGAMFSWKGI-WSVYEEACSA-N 1 2 312.391 1.804 20 5 DDBDLO COc1cc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000433260642 533828027 /nfs/dbraw/zinc/82/80/27/533828027.db2.gz ZJBGRGAMFSWKGI-WSVYEEACSA-N 1 2 312.391 1.804 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000331767204 534759648 /nfs/dbraw/zinc/75/96/48/534759648.db2.gz DNMZIQJFSDZJOH-VIFPVBQESA-N 1 2 304.310 1.071 20 5 DDBDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000495215356 529263717 /nfs/dbraw/zinc/26/37/17/529263717.db2.gz OXSRJDZLNGZTET-OAHLLOKOSA-N 1 2 321.377 1.916 20 5 DDBDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000495215356 529263719 /nfs/dbraw/zinc/26/37/19/529263719.db2.gz OXSRJDZLNGZTET-OAHLLOKOSA-N 1 2 321.377 1.916 20 5 DDBDLO COCCC[N@H+](CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068963743 696378842 /nfs/dbraw/zinc/37/88/42/696378842.db2.gz CGAIHHPEBGJLRR-UHFFFAOYSA-N 1 2 300.359 1.351 20 5 DDBDLO COCCC[N@@H+](CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068963743 696378844 /nfs/dbraw/zinc/37/88/44/696378844.db2.gz CGAIHHPEBGJLRR-UHFFFAOYSA-N 1 2 300.359 1.351 20 5 DDBDLO Nc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000786579609 699155892 /nfs/dbraw/zinc/15/58/92/699155892.db2.gz AZWIIIRUVXAKGP-UHFFFAOYSA-N 1 2 313.361 1.894 20 5 DDBDLO CCN1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000787326266 699206078 /nfs/dbraw/zinc/20/60/78/699206078.db2.gz YKOWRRWMRHOLBM-AWEZNQCLSA-N 1 2 307.350 1.182 20 5 DDBDLO CCN1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000787326266 699206079 /nfs/dbraw/zinc/20/60/79/699206079.db2.gz YKOWRRWMRHOLBM-AWEZNQCLSA-N 1 2 307.350 1.182 20 5 DDBDLO CC(C)c1[nH]nc(C(=O)OCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000796258160 699921959 /nfs/dbraw/zinc/92/19/59/699921959.db2.gz CAMRPZTVBUOQSH-UHFFFAOYSA-N 1 2 307.310 1.885 20 5 DDBDLO COc1cccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802237960 700386867 /nfs/dbraw/zinc/38/68/67/700386867.db2.gz KJHDTRSOHOLMAM-JTQLQIEISA-N 1 2 312.297 1.804 20 5 DDBDLO COc1cccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802237960 700386872 /nfs/dbraw/zinc/38/68/72/700386872.db2.gz KJHDTRSOHOLMAM-JTQLQIEISA-N 1 2 312.297 1.804 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000756116864 700604746 /nfs/dbraw/zinc/60/47/46/700604746.db2.gz CVVQFUKSHLECNJ-NRFANRHFSA-N 1 2 311.407 1.404 20 5 DDBDLO CO[C@@H](C)C[N@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840079425 701955921 /nfs/dbraw/zinc/95/59/21/701955921.db2.gz LLJYKNYLOOTFBR-NHYWBVRUSA-N 1 2 323.349 1.456 20 5 DDBDLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840079425 701955927 /nfs/dbraw/zinc/95/59/27/701955927.db2.gz LLJYKNYLOOTFBR-NHYWBVRUSA-N 1 2 323.349 1.456 20 5 DDBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@](O)(C(F)F)C3)c2c1 ZINC000840118926 701979277 /nfs/dbraw/zinc/97/92/77/701979277.db2.gz OTIPRSSQEBMYLB-CYBMUJFWSA-N 1 2 312.276 1.604 20 5 DDBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@](O)(C(F)F)C3)c2c1 ZINC000840118926 701979282 /nfs/dbraw/zinc/97/92/82/701979282.db2.gz OTIPRSSQEBMYLB-CYBMUJFWSA-N 1 2 312.276 1.604 20 5 DDBDLO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]2C1 ZINC000812320749 702146332 /nfs/dbraw/zinc/14/63/32/702146332.db2.gz HIAZZUVSWBNIQD-MNOVXSKESA-N 1 2 305.334 1.324 20 5 DDBDLO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]2C1 ZINC000812320749 702146335 /nfs/dbraw/zinc/14/63/35/702146335.db2.gz HIAZZUVSWBNIQD-MNOVXSKESA-N 1 2 305.334 1.324 20 5 DDBDLO O=C(OCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000817190543 702304062 /nfs/dbraw/zinc/30/40/62/702304062.db2.gz NFQARFNZZKOYFS-HUUCEWRRSA-N 1 2 320.345 1.227 20 5 DDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000874699784 705132330 /nfs/dbraw/zinc/13/23/30/705132330.db2.gz USOZVXKUYVICHB-AWEZNQCLSA-N 1 2 321.377 1.744 20 5 DDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000874699784 705132333 /nfs/dbraw/zinc/13/23/33/705132333.db2.gz USOZVXKUYVICHB-AWEZNQCLSA-N 1 2 321.377 1.744 20 5 DDBDLO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000823904898 705337501 /nfs/dbraw/zinc/33/75/01/705337501.db2.gz BRWSGIMSXZOLNN-GZBFAFLISA-N 1 2 303.362 1.561 20 5 DDBDLO CN(CCCn1cc[nH+]c1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827254763 705961763 /nfs/dbraw/zinc/96/17/63/705961763.db2.gz LENWOTJEEFAXQR-CQSZACIVSA-N 1 2 318.333 1.373 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865443821 706432470 /nfs/dbraw/zinc/43/24/70/706432470.db2.gz NOFLVXISQRREKS-SNVBAGLBSA-N 1 2 313.329 1.359 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903019675 710998362 /nfs/dbraw/zinc/99/83/62/710998362.db2.gz PRBVMBSGLALOPB-LBPRGKRZSA-N 1 2 300.322 1.466 20 5 DDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903019675 710998367 /nfs/dbraw/zinc/99/83/67/710998367.db2.gz PRBVMBSGLALOPB-LBPRGKRZSA-N 1 2 300.322 1.466 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1OC ZINC000895091659 711405774 /nfs/dbraw/zinc/40/57/74/711405774.db2.gz XUSJOWGILVHITF-LLVKDONJSA-N 1 2 310.354 1.521 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1OC ZINC000895091659 711405777 /nfs/dbraw/zinc/40/57/77/711405777.db2.gz XUSJOWGILVHITF-LLVKDONJSA-N 1 2 310.354 1.521 20 5 DDBDLO C[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 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ZINC000270822149 408694656 /nfs/dbraw/zinc/69/46/56/408694656.db2.gz BINDMXXACFDRPA-RYUDHWBXSA-N 1 2 307.350 1.181 20 5 DDBDLO Cc1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000187153263 163006131 /nfs/dbraw/zinc/00/61/31/163006131.db2.gz JPESDSSGQWNNKS-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000287048013 409003003 /nfs/dbraw/zinc/00/30/03/409003003.db2.gz JDKAFOLHYZMTMX-FZMZJTMJSA-N 1 2 319.361 1.999 20 5 DDBDLO Cc1c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000283975092 409250393 /nfs/dbraw/zinc/25/03/93/409250393.db2.gz HDCOEIBKMWKGDU-HUUCEWRRSA-N 1 2 319.361 1.448 20 5 DDBDLO Cc1c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000283975092 409250394 /nfs/dbraw/zinc/25/03/94/409250394.db2.gz HDCOEIBKMWKGDU-HUUCEWRRSA-N 1 2 319.361 1.448 20 5 DDBDLO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCOCC1 ZINC000298865303 410430074 /nfs/dbraw/zinc/43/00/74/410430074.db2.gz UUVVEFDBPMQSOO-LBPRGKRZSA-N 1 2 310.354 1.010 20 5 DDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347407133 410528362 /nfs/dbraw/zinc/52/83/62/410528362.db2.gz KWYUUKQOQAVVTR-LLVKDONJSA-N 1 2 317.349 1.671 20 5 DDBDLO C[C@@H]1COCC[N@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347407133 410528369 /nfs/dbraw/zinc/52/83/69/410528369.db2.gz KWYUUKQOQAVVTR-LLVKDONJSA-N 1 2 317.349 1.671 20 5 DDBDLO COCC[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330607624 410825217 /nfs/dbraw/zinc/82/52/17/410825217.db2.gz LXXYRBUTELZXLR-LLVKDONJSA-N 1 2 323.349 1.093 20 5 DDBDLO COCC[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330607624 410825222 /nfs/dbraw/zinc/82/52/22/410825222.db2.gz LXXYRBUTELZXLR-LLVKDONJSA-N 1 2 323.349 1.093 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000348426433 410963674 /nfs/dbraw/zinc/96/36/74/410963674.db2.gz WZPJHCPQOZTUAR-UHFFFAOYSA-N 1 2 317.301 1.937 20 5 DDBDLO CCS(=O)(=O)CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000129172401 196026039 /nfs/dbraw/zinc/02/60/39/196026039.db2.gz FCAFGBMCRZMFMS-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO CCS(=O)(=O)CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000129172401 196026040 /nfs/dbraw/zinc/02/60/40/196026040.db2.gz FCAFGBMCRZMFMS-UHFFFAOYSA-N 1 2 316.379 1.340 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000580037279 422875834 /nfs/dbraw/zinc/87/58/34/422875834.db2.gz UHIQZCXXEBLCOU-UHFFFAOYSA-N 1 2 318.333 1.679 20 5 DDBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580213261 422903310 /nfs/dbraw/zinc/90/33/10/422903310.db2.gz LIWYTOSPOUGJKG-HNNXBMFYSA-N 1 2 315.333 1.326 20 5 DDBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580213261 422903311 /nfs/dbraw/zinc/90/33/11/422903311.db2.gz LIWYTOSPOUGJKG-HNNXBMFYSA-N 1 2 315.333 1.326 20 5 DDBDLO CCS(=O)(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130586862 196093562 /nfs/dbraw/zinc/09/35/62/196093562.db2.gz YGXZNSBJQDIQJL-UHFFFAOYSA-N 1 2 312.391 1.994 20 5 DDBDLO CCS(=O)(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130586862 196093563 /nfs/dbraw/zinc/09/35/63/196093563.db2.gz YGXZNSBJQDIQJL-UHFFFAOYSA-N 1 2 312.391 1.994 20 5 DDBDLO C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000331882798 533679648 /nfs/dbraw/zinc/67/96/48/533679648.db2.gz GILJKLFIPSNKIF-ZYHUDNBSSA-N 1 2 316.317 1.376 20 5 DDBDLO COC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373760993 418457680 /nfs/dbraw/zinc/45/76/80/418457680.db2.gz NAZGLPJCSKGONT-UHFFFAOYSA-N 1 2 324.333 1.103 20 5 DDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000364682826 418799954 /nfs/dbraw/zinc/79/99/54/418799954.db2.gz QKSDMJDKHNGKOX-UHFFFAOYSA-N 1 2 322.346 1.304 20 5 DDBDLO COC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411310931 418891213 /nfs/dbraw/zinc/89/12/13/418891213.db2.gz PWFOMJVICWRBNW-UHFFFAOYSA-N 1 2 321.333 1.561 20 5 DDBDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411310931 418891214 /nfs/dbraw/zinc/89/12/14/418891214.db2.gz PWFOMJVICWRBNW-UHFFFAOYSA-N 1 2 321.333 1.561 20 5 DDBDLO CCN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1=O ZINC000425924317 419369119 /nfs/dbraw/zinc/36/91/19/419369119.db2.gz HBPXCJXISVNZFA-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO CCN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1=O ZINC000425924317 419369124 /nfs/dbraw/zinc/36/91/24/419369124.db2.gz HBPXCJXISVNZFA-GFCCVEGCSA-N 1 2 307.350 1.526 20 5 DDBDLO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000420948801 419377338 /nfs/dbraw/zinc/37/73/38/419377338.db2.gz DYYYKDPKWZNNKY-NSHDSACASA-N 1 2 311.313 1.453 20 5 DDBDLO COc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000420948801 419377343 /nfs/dbraw/zinc/37/73/43/419377343.db2.gz DYYYKDPKWZNNKY-NSHDSACASA-N 1 2 311.313 1.453 20 5 DDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000426084563 419386314 /nfs/dbraw/zinc/38/63/14/419386314.db2.gz LGPDICSDDDVGOH-LLVKDONJSA-N 1 2 301.306 1.928 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@]12CCOC2 ZINC000421014707 419450371 /nfs/dbraw/zinc/45/03/71/419450371.db2.gz HPELTCMTXFDLFZ-OAHLLOKOSA-N 1 2 305.334 1.707 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@]12CCOC2 ZINC000421014707 419450379 /nfs/dbraw/zinc/45/03/79/419450379.db2.gz HPELTCMTXFDLFZ-OAHLLOKOSA-N 1 2 305.334 1.707 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412029746 419576408 /nfs/dbraw/zinc/57/64/08/419576408.db2.gz DLOUWUIXVIUPLZ-CMPLNLGQSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412029746 419576416 /nfs/dbraw/zinc/57/64/16/419576416.db2.gz DLOUWUIXVIUPLZ-CMPLNLGQSA-N 1 2 323.349 1.245 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000430219093 420092828 /nfs/dbraw/zinc/09/28/28/420092828.db2.gz KTMNNQNAVPCVLT-NSHDSACASA-N 1 2 307.350 1.656 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000430219093 420092832 /nfs/dbraw/zinc/09/28/32/420092832.db2.gz KTMNNQNAVPCVLT-NSHDSACASA-N 1 2 307.350 1.656 20 5 DDBDLO CN1C(=O)NCC12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000425375997 420365789 /nfs/dbraw/zinc/36/57/89/420365789.db2.gz WAKMTLUNGFZEBY-UHFFFAOYSA-N 1 2 320.349 1.290 20 5 DDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000416528077 420406742 /nfs/dbraw/zinc/40/67/42/420406742.db2.gz CNWWVFVCGWPIIC-UHFFFAOYSA-N 1 2 324.362 1.158 20 5 DDBDLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000440272373 420567303 /nfs/dbraw/zinc/56/73/03/420567303.db2.gz PIOUZHUYUAKLHM-JTQLQIEISA-N 1 2 320.349 1.004 20 5 DDBDLO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000440272373 420567306 /nfs/dbraw/zinc/56/73/06/420567306.db2.gz PIOUZHUYUAKLHM-JTQLQIEISA-N 1 2 320.349 1.004 20 5 DDBDLO CC[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1[nH]cc[nH+]1 ZINC000442797760 420716591 /nfs/dbraw/zinc/71/65/91/420716591.db2.gz VUIHGCCMMDXVPA-VIFPVBQESA-N 1 2 318.289 1.928 20 5 DDBDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000523483146 421240045 /nfs/dbraw/zinc/24/00/45/421240045.db2.gz BXDLAPJKRRQUDB-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000523483146 421240048 /nfs/dbraw/zinc/24/00/48/421240048.db2.gz BXDLAPJKRRQUDB-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000560344395 421249678 /nfs/dbraw/zinc/24/96/78/421249678.db2.gz JCHNWLIEMOUZQU-SNVBAGLBSA-N 1 2 315.333 1.647 20 5 DDBDLO CNc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000560344395 421249681 /nfs/dbraw/zinc/24/96/81/421249681.db2.gz JCHNWLIEMOUZQU-SNVBAGLBSA-N 1 2 315.333 1.647 20 5 DDBDLO CN1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562443905 421368056 /nfs/dbraw/zinc/36/80/56/421368056.db2.gz MWPOTUXDVAOEIW-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO CN1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562443905 421368057 /nfs/dbraw/zinc/36/80/57/421368057.db2.gz MWPOTUXDVAOEIW-LLVKDONJSA-N 1 2 320.349 1.086 20 5 DDBDLO Cc1c(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000522266526 421821611 /nfs/dbraw/zinc/82/16/11/421821611.db2.gz PGDIGPXJKFJFQY-NSHDSACASA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1c(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000522266526 421821612 /nfs/dbraw/zinc/82/16/12/421821612.db2.gz PGDIGPXJKFJFQY-NSHDSACASA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1c(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000522266525 421821757 /nfs/dbraw/zinc/82/17/57/421821757.db2.gz PGDIGPXJKFJFQY-LLVKDONJSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1c(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000522266525 421821759 /nfs/dbraw/zinc/82/17/59/421821759.db2.gz PGDIGPXJKFJFQY-LLVKDONJSA-N 1 2 307.350 1.354 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1SC[C@@H]1C[N@H+](C)CCO1 ZINC000572873776 421876143 /nfs/dbraw/zinc/87/61/43/421876143.db2.gz GLDLZEUSEISKJH-JTQLQIEISA-N 1 2 300.384 1.542 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000572873776 421876148 /nfs/dbraw/zinc/87/61/48/421876148.db2.gz GLDLZEUSEISKJH-JTQLQIEISA-N 1 2 300.384 1.542 20 5 DDBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n(C)n1 ZINC000574059644 422058206 /nfs/dbraw/zinc/05/82/06/422058206.db2.gz OBVVDNXGVQLARI-UHFFFAOYSA-N 1 2 316.365 1.354 20 5 DDBDLO COC(=O)c1cc(NC(=O)C[NH+]2CC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000584062321 422250835 /nfs/dbraw/zinc/25/08/35/422250835.db2.gz LCJXQHHEZUIHAT-UHFFFAOYSA-N 1 2 321.333 1.662 20 5 DDBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000285349784 290029590 /nfs/dbraw/zinc/02/95/90/290029590.db2.gz HFFVIRJWFLLJFW-ZDUSSCGKSA-N 1 2 315.333 1.447 20 5 DDBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000285349784 290029594 /nfs/dbraw/zinc/02/95/94/290029594.db2.gz HFFVIRJWFLLJFW-ZDUSSCGKSA-N 1 2 315.333 1.447 20 5 DDBDLO Nc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 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ZINC001192730223 745869646 /nfs/dbraw/zinc/86/96/46/745869646.db2.gz GEOKNURBELMTKR-NSHDSACASA-N 1 2 302.338 1.796 20 5 DDBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001192730223 745869647 /nfs/dbraw/zinc/86/96/47/745869647.db2.gz GEOKNURBELMTKR-NSHDSACASA-N 1 2 302.338 1.796 20 5 DDBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001192730223 745869652 /nfs/dbraw/zinc/86/96/52/745869652.db2.gz GEOKNURBELMTKR-NSHDSACASA-N 1 2 302.338 1.796 20 5 DDBDLO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)Cc1[nH]cc[nH+]1 ZINC001106829231 746272459 /nfs/dbraw/zinc/27/24/59/746272459.db2.gz IHBHBNLTQAGBPP-UHFFFAOYSA-N 1 2 318.337 1.216 20 5 DDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cnco1 ZINC001031883821 748117664 /nfs/dbraw/zinc/11/76/64/748117664.db2.gz CEFMYNLRDCROGM-UHFFFAOYSA-N 1 2 316.317 1.445 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107312700 749766572 /nfs/dbraw/zinc/76/65/72/749766572.db2.gz ULPRUXMBRLPIPG-OWOJBTEDSA-N 1 2 316.321 1.040 20 5 DDBDLO O=C(Cc1[nH]cc[nH+]1)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107311423 749781902 /nfs/dbraw/zinc/78/19/02/749781902.db2.gz DNTQLHPUBVZHCH-ONEGZZNKSA-N 1 2 315.333 1.645 20 5 DDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2Oc3ccc(CCO)cc3O2)C1 ZINC001169004106 762173926 /nfs/dbraw/zinc/17/39/26/762173926.db2.gz PTJFEJOUWHDDBM-TYNCELHUSA-N 1 2 308.334 1.311 20 5 DDBDLO O=C1N=NC(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)O1 ZINC001170243224 766194066 /nfs/dbraw/zinc/19/40/66/766194066.db2.gz CLCQEJODMJWICM-UHFFFAOYSA-N 1 2 305.294 1.458 20 5 DDBDLO O=C(NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001096260670 768804215 /nfs/dbraw/zinc/80/42/15/768804215.db2.gz JKUJKOTVXCHWBV-UHFFFAOYSA-N 1 2 318.377 1.243 20 5 DDBDLO O=C(Cn1cc[nH+]c1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094471538 775926046 /nfs/dbraw/zinc/92/60/46/775926046.db2.gz KKUKTXDIWABLKN-UHFFFAOYSA-N 1 2 303.322 1.410 20 5 DDBDLO Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c(C)o1 ZINC001326821266 861631712 /nfs/dbraw/zinc/63/17/12/861631712.db2.gz BLQJTTMJPXBFOS-DGCLKSJQSA-N 1 2 322.365 1.085 20 5 DDBDLO CCOC(=[NH2+])CCCCO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001224966308 881615067 /nfs/dbraw/zinc/61/50/67/881615067.db2.gz PLGKDASCFFBNML-JTQLQIEISA-N 1 2 312.326 1.753 20 5 DDBDLO CCc1[nH]c(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c[nH+]1 ZINC001156533675 863127239 /nfs/dbraw/zinc/12/72/39/863127239.db2.gz YSBZGKZLXQRBLL-UHFFFAOYSA-N 1 2 304.306 1.819 20 5 DDBDLO CCc1[nH]cc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH+]1 ZINC001156533675 863127244 /nfs/dbraw/zinc/12/72/44/863127244.db2.gz YSBZGKZLXQRBLL-UHFFFAOYSA-N 1 2 304.306 1.819 20 5 DDBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC001161013341 866270970 /nfs/dbraw/zinc/27/09/70/866270970.db2.gz MWLKEDHIYDLASP-LERXQTSPSA-N 1 2 300.318 1.715 20 5 DDBDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001161945321 867125768 /nfs/dbraw/zinc/12/57/68/867125768.db2.gz IKCMPADSAVNZPX-ZCFIWIBFSA-N 1 2 323.136 1.599 20 5 DDBDLO COc1ccc2ncc([N+](=O)[O-])c(NCCn3cc[nH+]c3)c2c1 ZINC001161964406 867146751 /nfs/dbraw/zinc/14/67/51/867146751.db2.gz IPKHMKUVHFKBST-UHFFFAOYSA-N 1 2 313.317 1.882 20 5 DDBDLO C[C@H](c1ncccn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001341393699 871638242 /nfs/dbraw/zinc/63/82/42/871638242.db2.gz SPAFTQRSLDWRED-LLVKDONJSA-N 1 2 302.338 1.979 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1nc2ccc([N+](=O)[O-])cc2o1 ZINC001227233913 882925443 /nfs/dbraw/zinc/92/54/43/882925443.db2.gz JEKQORGXMIDPNI-JTQLQIEISA-N 1 2 307.306 1.836 20 5 DDBDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230596841 884636200 /nfs/dbraw/zinc/63/62/00/884636200.db2.gz VIFLHTPEMDPXRL-JTQLQIEISA-N 1 2 306.322 1.571 20 5 DDBDLO CCOc1cccc(NCCC[N@@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000278268781 214058424 /nfs/dbraw/zinc/05/84/24/214058424.db2.gz AOVFVPLTVIKSFM-UHFFFAOYSA-N 1 2 322.365 1.227 20 5 DDBDLO CCOc1cccc(NCCC[N@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000278268781 214058428 /nfs/dbraw/zinc/05/84/28/214058428.db2.gz AOVFVPLTVIKSFM-UHFFFAOYSA-N 1 2 322.365 1.227 20 5 DDBDLO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000278472411 214174815 /nfs/dbraw/zinc/17/48/15/214174815.db2.gz CZNSBDKCZRVZIC-UHFFFAOYSA-N 1 2 319.361 1.905 20 5 DDBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331811380 530014942 /nfs/dbraw/zinc/01/49/42/530014942.db2.gz NSTWLJZDCGVZBZ-UHFFFAOYSA-N 1 2 303.322 1.728 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1cccc(F)c1 ZINC000044380156 352385116 /nfs/dbraw/zinc/38/51/16/352385116.db2.gz UHMVIRIDRVELRH-FRRDWIJNSA-N 1 2 318.308 1.430 20 5 DDBDLO COCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047199675 352485608 /nfs/dbraw/zinc/48/56/08/352485608.db2.gz MDMWJWPFICCTRL-UHFFFAOYSA-N 1 2 318.333 1.937 20 5 DDBDLO Cc1nn(C)c(C(=O)NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000331825971 234165750 /nfs/dbraw/zinc/16/57/50/234165750.db2.gz QDWCGZXTXZPYNR-UHFFFAOYSA-N 1 2 318.337 1.100 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1c[nH+]cn1C ZINC000290324664 354442932 /nfs/dbraw/zinc/44/29/32/354442932.db2.gz ZVTPWRROVXNKDT-UHFFFAOYSA-N 1 2 310.335 1.115 20 5 DDBDLO Nc1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1[N+](=O)[O-] ZINC000319849319 354523973 /nfs/dbraw/zinc/52/39/73/354523973.db2.gz HIACLCNMGIXIDP-UHFFFAOYSA-N 1 2 300.322 1.294 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCn3c[nH+]cc3C2)c1 ZINC000589518363 354998607 /nfs/dbraw/zinc/99/86/07/354998607.db2.gz KUVAVDPABWWNRB-UHFFFAOYSA-N 1 2 316.317 1.594 20 5 DDBDLO NC(=O)OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000494433618 235033734 /nfs/dbraw/zinc/03/37/34/235033734.db2.gz GMKUVUYOZZUXAF-UHFFFAOYSA-N 1 2 319.277 1.020 20 5 DDBDLO O=C(N1CCCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591555807 355327228 /nfs/dbraw/zinc/32/72/28/355327228.db2.gz SLNIRROJZMJJHT-UHFFFAOYSA-N 1 2 318.377 1.928 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000593033285 355775426 /nfs/dbraw/zinc/77/54/26/355775426.db2.gz LUWSAUFXWDYZHY-SNVBAGLBSA-N 1 2 318.333 1.966 20 5 DDBDLO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000593479653 355897836 /nfs/dbraw/zinc/89/78/36/355897836.db2.gz BHFFAEUJQKJQRO-LLVKDONJSA-N 1 2 320.324 1.925 20 5 DDBDLO CCn1cc[nH+]c1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593734178 355979714 /nfs/dbraw/zinc/97/97/14/355979714.db2.gz AHQZWIWZXSRGLL-UHFFFAOYSA-N 1 2 306.297 1.809 20 5 DDBDLO COc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000595289574 356435289 /nfs/dbraw/zinc/43/52/89/356435289.db2.gz FGAVNVDHHXFLEM-UHFFFAOYSA-N 1 2 318.333 1.914 20 5 DDBDLO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595382934 356472927 /nfs/dbraw/zinc/47/29/27/356472927.db2.gz LOALUFDHHNXERF-VIFPVBQESA-N 1 2 310.335 1.368 20 5 DDBDLO Cc1noc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595393123 356476145 /nfs/dbraw/zinc/47/61/45/356476145.db2.gz WVRZVWXBVBGQGJ-UHFFFAOYSA-N 1 2 309.244 1.780 20 5 DDBDLO CC(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596070147 356761024 /nfs/dbraw/zinc/76/10/24/356761024.db2.gz OGNXKTOXPVPHGO-ZDUSSCGKSA-N 1 2 323.397 1.379 20 5 DDBDLO NC(=O)N1CC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596232813 356826358 /nfs/dbraw/zinc/82/63/58/356826358.db2.gz STXCWVBDFHSMJY-SNVBAGLBSA-N 1 2 315.333 1.956 20 5 DDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000596247323 356831090 /nfs/dbraw/zinc/83/10/90/356831090.db2.gz NKPNAHISUKEMLG-AWEZNQCLSA-N 1 2 320.393 1.908 20 5 DDBDLO Cc1nc(N(CC[NH+]2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000596516795 356903225 /nfs/dbraw/zinc/90/32/25/356903225.db2.gz ZGPPXGMCRZECMG-UHFFFAOYSA-N 1 2 320.393 1.847 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000597202566 357090928 /nfs/dbraw/zinc/09/09/28/357090928.db2.gz FIMXWALZITXXGG-MRXNPFEDSA-N 1 2 305.378 1.810 20 5 DDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)CO ZINC000597849014 357357013 /nfs/dbraw/zinc/35/70/13/357357013.db2.gz YNTRMDNWLAVUQS-NSHDSACASA-N 1 2 321.337 1.146 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597996400 357411913 /nfs/dbraw/zinc/41/19/13/357411913.db2.gz IYSMESBWYNEVRM-RYUDHWBXSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597996400 357411919 /nfs/dbraw/zinc/41/19/19/357411919.db2.gz IYSMESBWYNEVRM-RYUDHWBXSA-N 1 2 307.350 1.434 20 5 DDBDLO Cc1nn(C)c(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1[N+](=O)[O-] ZINC000276778766 213103413 /nfs/dbraw/zinc/10/34/13/213103413.db2.gz ZAGWYHRSVGAHKM-VIFPVBQESA-N 1 2 306.326 1.487 20 5 DDBDLO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000179499201 199045302 /nfs/dbraw/zinc/04/53/02/199045302.db2.gz GVXWPHKPVCJQPD-UHFFFAOYSA-N 1 2 323.349 1.141 20 5 DDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000600068694 358114266 /nfs/dbraw/zinc/11/42/66/358114266.db2.gz IQEXNYFFXOIHTD-UHFFFAOYSA-N 1 2 311.363 1.249 20 5 DDBDLO Cc1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1[N+](=O)[O-] ZINC000600185258 358149919 /nfs/dbraw/zinc/14/99/19/358149919.db2.gz SLNDUAMPZRSTLT-UHFFFAOYSA-N 1 2 314.349 1.410 20 5 DDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CC1 ZINC000358898708 299274270 /nfs/dbraw/zinc/27/42/70/299274270.db2.gz AAUHTBYOGXWWNL-UHFFFAOYSA-N 1 2 309.370 1.396 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600423827 358216722 /nfs/dbraw/zinc/21/67/22/358216722.db2.gz HNPXANKUZSRBRY-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600423827 358216725 /nfs/dbraw/zinc/21/67/25/358216725.db2.gz HNPXANKUZSRBRY-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000280807070 295968211 /nfs/dbraw/zinc/96/82/11/295968211.db2.gz QDWLHYHWXCILOI-NSHDSACASA-N 1 2 307.350 1.762 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1COCC[N@@H+]1C ZINC000601203869 358446706 /nfs/dbraw/zinc/44/67/06/358446706.db2.gz WXLDTAHNKLHFDM-ZETCQYMHSA-N 1 2 323.275 1.090 20 5 DDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1COCC[N@H+]1C ZINC000601203869 358446711 /nfs/dbraw/zinc/44/67/11/358446711.db2.gz WXLDTAHNKLHFDM-ZETCQYMHSA-N 1 2 323.275 1.090 20 5 DDBDLO COc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000601149142 358422346 /nfs/dbraw/zinc/42/23/46/358422346.db2.gz JPOXZZJMYQWPLU-INIZCTEOSA-N 1 2 317.345 1.996 20 5 DDBDLO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000181046210 199244853 /nfs/dbraw/zinc/24/48/53/199244853.db2.gz WPVZBMBSKPNZPZ-MNOVXSKESA-N 1 2 322.365 1.016 20 5 DDBDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c([N+](=O)[O-])n1 ZINC000602825190 359218122 /nfs/dbraw/zinc/21/81/22/359218122.db2.gz KCCCFJSYFAVEDC-CYBMUJFWSA-N 1 2 304.354 1.789 20 5 DDBDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c([N+](=O)[O-])n1 ZINC000602825190 359218128 /nfs/dbraw/zinc/21/81/28/359218128.db2.gz KCCCFJSYFAVEDC-CYBMUJFWSA-N 1 2 304.354 1.789 20 5 DDBDLO COC(=O)[C@@]1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC000602885803 359269609 /nfs/dbraw/zinc/26/96/09/359269609.db2.gz OWRUSDOHXALODE-FUKZOUPISA-N 1 2 324.381 1.811 20 5 DDBDLO C[C@@H](O)CN1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189338475 200383804 /nfs/dbraw/zinc/38/38/04/200383804.db2.gz DFBDPMPUQBFWRZ-CQSZACIVSA-N 1 2 323.393 1.362 20 5 DDBDLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610615529 360482061 /nfs/dbraw/zinc/48/20/61/360482061.db2.gz MLYYSUDCUXFJDG-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000610615529 360482066 /nfs/dbraw/zinc/48/20/66/360482066.db2.gz MLYYSUDCUXFJDG-LBPRGKRZSA-N 1 2 307.350 1.953 20 5 DDBDLO CC(C)C[N@H+](CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611257181 360680843 /nfs/dbraw/zinc/68/08/43/360680843.db2.gz IRQJCCUWLVQQLQ-UHFFFAOYSA-N 1 2 323.349 1.309 20 5 DDBDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611257181 360680848 /nfs/dbraw/zinc/68/08/48/360680848.db2.gz IRQJCCUWLVQQLQ-UHFFFAOYSA-N 1 2 323.349 1.309 20 5 DDBDLO CN(C)c1[nH+]cccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525466 360747122 /nfs/dbraw/zinc/74/71/22/360747122.db2.gz DYTVKTRRKBBTKK-UHFFFAOYSA-N 1 2 317.349 1.742 20 5 DDBDLO COC(=O)C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000267618316 206176979 /nfs/dbraw/zinc/17/69/79/206176979.db2.gz CXEFRTGVWSRAHE-CQSZACIVSA-N 1 2 324.333 1.238 20 5 DDBDLO COC(=O)C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000267618316 206176984 /nfs/dbraw/zinc/17/69/84/206176984.db2.gz CXEFRTGVWSRAHE-CQSZACIVSA-N 1 2 324.333 1.238 20 5 DDBDLO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000284820467 218191353 /nfs/dbraw/zinc/19/13/53/218191353.db2.gz AHWOBTIUMKGUMR-UHFFFAOYSA-N 1 2 317.349 1.964 20 5 DDBDLO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000284820467 218191355 /nfs/dbraw/zinc/19/13/55/218191355.db2.gz AHWOBTIUMKGUMR-UHFFFAOYSA-N 1 2 317.349 1.964 20 5 DDBDLO 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1 2 316.317 1.614 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378196352 302290168 /nfs/dbraw/zinc/29/01/68/302290168.db2.gz KVWZYPJUZWTKHC-VIFPVBQESA-N 1 2 316.317 1.614 20 5 DDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])CCC2 ZINC000378306419 302309960 /nfs/dbraw/zinc/30/99/60/302309960.db2.gz OHJOKTQHXKNTOA-SECBINFHSA-N 1 2 304.310 1.130 20 5 DDBDLO COc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000515593901 302778474 /nfs/dbraw/zinc/77/84/74/302778474.db2.gz FJFSLQNNKWKLNI-UHFFFAOYSA-N 1 2 320.280 1.636 20 5 DDBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)CCO1 ZINC000362674436 307024901 /nfs/dbraw/zinc/02/49/01/307024901.db2.gz ZPLJVJVECSTHSR-JTQLQIEISA-N 1 2 312.345 1.839 20 5 DDBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)CCO1 ZINC000362674436 307024902 /nfs/dbraw/zinc/02/49/02/307024902.db2.gz ZPLJVJVECSTHSR-JTQLQIEISA-N 1 2 312.345 1.839 20 5 DDBDLO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000363371871 307026907 /nfs/dbraw/zinc/02/69/07/307026907.db2.gz PCFGXRMGCILREN-LSDHHAIUSA-N 1 2 321.352 1.525 20 5 DDBDLO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000363371871 307026908 /nfs/dbraw/zinc/02/69/08/307026908.db2.gz PCFGXRMGCILREN-LSDHHAIUSA-N 1 2 321.352 1.525 20 5 DDBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000366147141 307068569 /nfs/dbraw/zinc/06/85/69/307068569.db2.gz ZFIHYKAIYBWLCC-BXUZGUMPSA-N 1 2 315.333 1.910 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000366643060 307078191 /nfs/dbraw/zinc/07/81/91/307078191.db2.gz QESMXUAFEGODOA-CHWSQXEVSA-N 1 2 304.306 1.848 20 5 DDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000366643060 307078192 /nfs/dbraw/zinc/07/81/92/307078192.db2.gz QESMXUAFEGODOA-CHWSQXEVSA-N 1 2 304.306 1.848 20 5 DDBDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000371670420 307156115 /nfs/dbraw/zinc/15/61/15/307156115.db2.gz MDUYPJZLSBRWMJ-GFCCVEGCSA-N 1 2 301.306 1.701 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000373090614 307178067 /nfs/dbraw/zinc/17/80/67/307178067.db2.gz ALKZSCHXMKFQNY-SNVBAGLBSA-N 1 2 300.318 1.914 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000373090614 307178068 /nfs/dbraw/zinc/17/80/68/307178068.db2.gz ALKZSCHXMKFQNY-SNVBAGLBSA-N 1 2 300.318 1.914 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000375738219 307229991 /nfs/dbraw/zinc/22/99/91/307229991.db2.gz LOMGYUVGWGWOAK-JKSUJKDBSA-N 1 2 322.361 1.853 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000375738219 307229992 /nfs/dbraw/zinc/22/99/92/307229992.db2.gz LOMGYUVGWGWOAK-JKSUJKDBSA-N 1 2 322.361 1.853 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000377282538 307267203 /nfs/dbraw/zinc/26/72/03/307267203.db2.gz GVYOTBDFZXYMEJ-CYBMUJFWSA-N 1 2 320.349 1.155 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000377282538 307267204 /nfs/dbraw/zinc/26/72/04/307267204.db2.gz GVYOTBDFZXYMEJ-CYBMUJFWSA-N 1 2 320.349 1.155 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000575976981 308284068 /nfs/dbraw/zinc/28/40/68/308284068.db2.gz KXGVIYAJIFBTAM-ZWNOBZJWSA-N 1 2 300.742 1.423 20 5 DDBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000575976981 308284070 /nfs/dbraw/zinc/28/40/70/308284070.db2.gz KXGVIYAJIFBTAM-ZWNOBZJWSA-N 1 2 300.742 1.423 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424194834 534741696 /nfs/dbraw/zinc/74/16/96/534741696.db2.gz SIVGZJDXIIXSNU-MRVPVSSYSA-N 1 2 314.292 1.152 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782622576 698753407 /nfs/dbraw/zinc/75/34/07/698753407.db2.gz WWDQBHIHRBPCEV-OZVIIMIRSA-N 1 2 319.361 1.544 20 5 DDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782622576 698753408 /nfs/dbraw/zinc/75/34/08/698753408.db2.gz WWDQBHIHRBPCEV-OZVIIMIRSA-N 1 2 319.361 1.544 20 5 DDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1nccc1[N+](=O)[O-] ZINC000800865547 700251389 /nfs/dbraw/zinc/25/13/89/700251389.db2.gz FNPCQRIPRNJOAN-UHFFFAOYSA-N 1 2 305.294 1.832 20 5 DDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1nccc1[N+](=O)[O-] ZINC000800865547 700251390 /nfs/dbraw/zinc/25/13/90/700251390.db2.gz FNPCQRIPRNJOAN-UHFFFAOYSA-N 1 2 305.294 1.832 20 5 DDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000794634044 699820082 /nfs/dbraw/zinc/82/00/82/699820082.db2.gz YGUSVXLXMFGZGH-HNNXBMFYSA-N 1 2 319.317 1.573 20 5 DDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000794634044 699820085 /nfs/dbraw/zinc/82/00/85/699820085.db2.gz YGUSVXLXMFGZGH-HNNXBMFYSA-N 1 2 319.317 1.573 20 5 DDBDLO C[C@H]1C[NH+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H]1C ZINC000751932054 700327189 /nfs/dbraw/zinc/32/71/89/700327189.db2.gz YKDOKZOPFDIRNH-UWVGGRQHSA-N 1 2 303.318 1.736 20 5 DDBDLO CC[N@H+](C[C@@H](C)OC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000812303093 702143923 /nfs/dbraw/zinc/14/39/23/702143923.db2.gz LBJPLGMWMDRINX-SNVBAGLBSA-N 1 2 321.333 1.505 20 5 DDBDLO CC[N@@H+](C[C@@H](C)OC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000812303093 702143925 /nfs/dbraw/zinc/14/39/25/702143925.db2.gz LBJPLGMWMDRINX-SNVBAGLBSA-N 1 2 321.333 1.505 20 5 DDBDLO CC(C)O[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000842609836 702741340 /nfs/dbraw/zinc/74/13/40/702741340.db2.gz ICODCLVCBRDILZ-GFCCVEGCSA-N 1 2 321.333 1.960 20 5 DDBDLO CC(C)O[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000842609836 702741343 /nfs/dbraw/zinc/74/13/43/702741343.db2.gz ICODCLVCBRDILZ-GFCCVEGCSA-N 1 2 321.333 1.960 20 5 DDBDLO COc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)ccc1[N+](=O)[O-] ZINC000857987136 704656815 /nfs/dbraw/zinc/65/68/15/704656815.db2.gz ZPIDHKXQJTVAJI-JTQLQIEISA-N 1 2 302.290 1.675 20 5 DDBDLO C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000867221872 706929033 /nfs/dbraw/zinc/92/90/33/706929033.db2.gz IBKRJEBXGUEAFY-LVDDQXARSA-N 1 2 319.361 1.660 20 5 DDBDLO COCC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@@H](C)C(N)=O ZINC000876696451 705824567 /nfs/dbraw/zinc/82/45/67/705824567.db2.gz UXOPJGFIVWVWHA-LBPRGKRZSA-N 1 2 309.366 1.534 20 5 DDBDLO COCC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@@H](C)C(N)=O ZINC000876696451 705824568 /nfs/dbraw/zinc/82/45/68/705824568.db2.gz UXOPJGFIVWVWHA-LBPRGKRZSA-N 1 2 309.366 1.534 20 5 DDBDLO O=C(N[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000827948930 706092557 /nfs/dbraw/zinc/09/25/57/706092557.db2.gz KWXZQYFLKRPHOH-GFCCVEGCSA-N 1 2 316.317 1.281 20 5 DDBDLO CC(C)(Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1)[N+](=O)[O-] ZINC000864642416 706222772 /nfs/dbraw/zinc/22/27/72/706222772.db2.gz OJDQTEQKTGQFCB-UHFFFAOYSA-N 1 2 307.329 1.762 20 5 DDBDLO CCN(C#N)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000877914014 706239946 /nfs/dbraw/zinc/23/99/46/706239946.db2.gz XOQSVUVZLGJHMG-UHFFFAOYSA-N 1 2 303.366 1.520 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832550487 706938019 /nfs/dbraw/zinc/93/80/19/706938019.db2.gz QJOHDWHFORMHFF-LBPRGKRZSA-N 1 2 324.356 1.970 20 5 DDBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832550487 706938022 /nfs/dbraw/zinc/93/80/22/706938022.db2.gz QJOHDWHFORMHFF-LBPRGKRZSA-N 1 2 324.356 1.970 20 5 DDBDLO CC(C)(C)OC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000871991621 707271694 /nfs/dbraw/zinc/27/16/94/707271694.db2.gz FKTQCDNDKGOTLK-GFCCVEGCSA-N 1 2 324.377 1.834 20 5 DDBDLO CCCC(=O)NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885954165 708670579 /nfs/dbraw/zinc/67/05/79/708670579.db2.gz PNYVTSJTJOJTJB-UHFFFAOYSA-N 1 2 306.366 1.871 20 5 DDBDLO COc1c(O)ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000893555132 710705030 /nfs/dbraw/zinc/70/50/30/710705030.db2.gz GELHRZHOFRWBJB-BTKVJGODSA-N 1 2 316.379 1.508 20 5 DDBDLO COc1c(O)ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1[N+](=O)[O-] ZINC000893555132 710705035 /nfs/dbraw/zinc/70/50/35/710705035.db2.gz GELHRZHOFRWBJB-BTKVJGODSA-N 1 2 316.379 1.508 20 5 DDBDLO Cc1cnc(NCC[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000895253934 711467973 /nfs/dbraw/zinc/46/79/73/711467973.db2.gz NVYQMWDSXQKHQU-UHFFFAOYSA-N 1 2 308.338 1.159 20 5 DDBDLO Cc1cnc(NCC[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000895253934 711467975 /nfs/dbraw/zinc/46/79/75/711467975.db2.gz NVYQMWDSXQKHQU-UHFFFAOYSA-N 1 2 308.338 1.159 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935329227 715029155 /nfs/dbraw/zinc/02/91/55/715029155.db2.gz IYKMSTYLKCKVRT-UHFFFAOYSA-N 1 2 320.324 1.759 20 5 DDBDLO COc1nc(SC)nc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167614428 734833222 /nfs/dbraw/zinc/83/32/22/734833222.db2.gz RMOJWUDRWYKEIZ-UHFFFAOYSA-N 1 2 322.350 1.705 20 5 DDBDLO Cc1c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC001168348871 742209756 /nfs/dbraw/zinc/20/97/56/742209756.db2.gz HFARHBHSBQYNBJ-NSHDSACASA-N 1 2 304.306 1.100 20 5 DDBDLO Cn1cc(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC001128289927 743490587 /nfs/dbraw/zinc/49/05/87/743490587.db2.gz BSQSPMGDIRXTPR-UHFFFAOYSA-N 1 2 313.273 1.733 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001101672882 777376091 /nfs/dbraw/zinc/37/60/91/777376091.db2.gz KHIQICJIQOMPRE-UHFFFAOYSA-N 1 2 317.349 1.670 20 5 DDBDLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001177043527 778406729 /nfs/dbraw/zinc/40/67/29/778406729.db2.gz BGMCLUJGBRINIE-LOWVWBTDSA-N 1 2 308.338 1.207 20 5 DDBDLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001177043527 778406734 /nfs/dbraw/zinc/40/67/34/778406734.db2.gz BGMCLUJGBRINIE-LOWVWBTDSA-N 1 2 308.338 1.207 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001116426964 780509202 /nfs/dbraw/zinc/50/92/02/780509202.db2.gz JZXVBKHZZINBRR-UHFFFAOYSA-N 1 2 304.310 1.002 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001116496632 780515067 /nfs/dbraw/zinc/51/50/67/780515067.db2.gz MZPUALXFZJIRNS-UHFFFAOYSA-N 1 2 304.310 1.071 20 5 DDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001116496632 780515072 /nfs/dbraw/zinc/51/50/72/780515072.db2.gz MZPUALXFZJIRNS-UHFFFAOYSA-N 1 2 304.310 1.071 20 5 DDBDLO Cc1[nH]c(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)[nH+]c1C ZINC001149404782 861592578 /nfs/dbraw/zinc/59/25/78/861592578.db2.gz OGTJIYBLPDIWMC-UHFFFAOYSA-N 1 2 318.333 1.938 20 5 DDBDLO CCOC(=O)c1ccnc(N(CC)C2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001157461990 863834246 /nfs/dbraw/zinc/83/42/46/863834246.db2.gz XVBQPNYCKVKRBW-UHFFFAOYSA-N 1 2 308.338 1.307 20 5 DDBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C[NH2+]1 ZINC001158257030 864517576 /nfs/dbraw/zinc/51/75/76/864517576.db2.gz VEBBIJPUKFXIFX-ZJUUUORDSA-N 1 2 324.337 1.092 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158701105 864825199 /nfs/dbraw/zinc/82/51/99/864825199.db2.gz IUPNUEBEERQKPX-NSHDSACASA-N 1 2 303.322 1.281 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158701105 864825212 /nfs/dbraw/zinc/82/52/12/864825212.db2.gz IUPNUEBEERQKPX-NSHDSACASA-N 1 2 303.322 1.281 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158702257 864826531 /nfs/dbraw/zinc/82/65/31/864826531.db2.gz PNIMKYWWAUFQGO-NSHDSACASA-N 1 2 303.322 1.281 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158702257 864826550 /nfs/dbraw/zinc/82/65/50/864826550.db2.gz PNIMKYWWAUFQGO-NSHDSACASA-N 1 2 303.322 1.281 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[NH2+]1 ZINC001164308827 869113309 /nfs/dbraw/zinc/11/33/09/869113309.db2.gz TWYJAAGXHHHOFV-ZANVPECISA-N 1 2 316.317 1.458 20 5 DDBDLO CC(C)=CC(=O)NCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001233516905 887065349 /nfs/dbraw/zinc/06/53/49/887065349.db2.gz IDWOOHOFYDTTRC-UHFFFAOYSA-N 1 2 309.370 1.233 20 5 DDBDLO CC(C)=CC(=O)NCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001233516905 887065358 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1.376 20 5 DDBDLO CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450978999 529514433 /nfs/dbraw/zinc/51/44/33/529514433.db2.gz NLNMYSGTHSSQRT-NSHDSACASA-N 1 2 304.306 1.281 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000090552081 185302567 /nfs/dbraw/zinc/30/25/67/185302567.db2.gz VXMBGVDKHZYXHC-CQSZACIVSA-N 1 2 319.317 1.423 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000090552081 185302568 /nfs/dbraw/zinc/30/25/68/185302568.db2.gz VXMBGVDKHZYXHC-CQSZACIVSA-N 1 2 319.317 1.423 20 5 DDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615774227 362433458 /nfs/dbraw/zinc/43/34/58/362433458.db2.gz NWAGJAYUYQMQDR-CYBMUJFWSA-N 1 2 314.345 1.713 20 5 DDBDLO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029956945 352247504 /nfs/dbraw/zinc/24/75/04/352247504.db2.gz CTTNROPXGQDVMG-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1c(C(=O)NC[C@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000029958625 352248305 /nfs/dbraw/zinc/24/83/05/352248305.db2.gz WRDSOBQWDJUERN-NSHDSACASA-N 1 2 307.350 1.354 20 5 DDBDLO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCOCC1 ZINC000042027502 352325135 /nfs/dbraw/zinc/32/51/35/352325135.db2.gz XVANZFIHPQHPHU-LLVKDONJSA-N 1 2 311.338 1.274 20 5 DDBDLO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000046483398 352454118 /nfs/dbraw/zinc/45/41/18/352454118.db2.gz SHTDVFLCLBVQDN-SECBINFHSA-N 1 2 311.367 1.437 20 5 DDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092097881 353843380 /nfs/dbraw/zinc/84/33/80/353843380.db2.gz QELBWEAUVPDNGA-UHFFFAOYSA-N 1 2 317.349 1.804 20 5 DDBDLO Cn1c[nH+]cc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000292229464 354448682 /nfs/dbraw/zinc/44/86/82/354448682.db2.gz CYIUSPJCATZCCT-UHFFFAOYSA-N 1 2 303.322 1.370 20 5 DDBDLO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586814042 354869728 /nfs/dbraw/zinc/86/97/28/354869728.db2.gz VVYABKCBWJVHSY-UHFFFAOYSA-N 1 2 319.361 1.905 20 5 DDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2c[nH+]cn2C1 ZINC000587061847 354880051 /nfs/dbraw/zinc/88/00/51/354880051.db2.gz JRPNGPFOVOLUBU-LBPRGKRZSA-N 1 2 300.318 1.465 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCCN1CC[NH+](C)CC1 ZINC000588810956 354938693 /nfs/dbraw/zinc/93/86/93/354938693.db2.gz NAZQZJJYFXPFIQ-UHFFFAOYSA-N 1 2 324.429 1.559 20 5 DDBDLO CCC[N@H+](CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590053724 355044172 /nfs/dbraw/zinc/04/41/72/355044172.db2.gz AUTAEWQJOBURKJ-UHFFFAOYSA-N 1 2 309.322 1.063 20 5 DDBDLO CCC[N@@H+](CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590053724 355044174 /nfs/dbraw/zinc/04/41/74/355044174.db2.gz AUTAEWQJOBURKJ-UHFFFAOYSA-N 1 2 309.322 1.063 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C(C)(C)C(N)=O)c1 ZINC000593031728 355775011 /nfs/dbraw/zinc/77/50/11/355775011.db2.gz KWVPMFYDRDZODL-UHFFFAOYSA-N 1 2 309.322 1.077 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C(C)(C)C(N)=O)c1 ZINC000593031728 355775015 /nfs/dbraw/zinc/77/50/15/355775015.db2.gz KWVPMFYDRDZODL-UHFFFAOYSA-N 1 2 309.322 1.077 20 5 DDBDLO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000593913891 356057120 /nfs/dbraw/zinc/05/71/20/356057120.db2.gz YDQDEKKVUZQNRY-NHYWBVRUSA-N 1 2 305.334 1.501 20 5 DDBDLO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000595716138 356619781 /nfs/dbraw/zinc/61/97/81/356619781.db2.gz WABSGOIMGDJHCS-UPJWGTAASA-N 1 2 322.361 1.491 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434346 356879601 /nfs/dbraw/zinc/87/96/01/356879601.db2.gz XGGBWYJNERYZGR-GHMZBOCLSA-N 1 2 322.365 1.215 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434346 356879605 /nfs/dbraw/zinc/87/96/05/356879605.db2.gz XGGBWYJNERYZGR-GHMZBOCLSA-N 1 2 322.365 1.215 20 5 DDBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597994603 357410385 /nfs/dbraw/zinc/41/03/85/357410385.db2.gz CCCTZHJXCZSHQE-RYUDHWBXSA-N 1 2 307.350 1.434 20 5 DDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597994603 357410388 /nfs/dbraw/zinc/41/03/88/357410388.db2.gz CCCTZHJXCZSHQE-RYUDHWBXSA-N 1 2 307.350 1.434 20 5 DDBDLO COc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598942222 357767619 /nfs/dbraw/zinc/76/76/19/357767619.db2.gz JGYGARTUKTYHGP-SNVBAGLBSA-N 1 2 302.290 1.155 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000598945831 357769775 /nfs/dbraw/zinc/76/97/75/357769775.db2.gz CUZXVDPBTAHZNX-VIFPVBQESA-N 1 2 318.337 1.383 20 5 DDBDLO Cc1sc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598947136 357770691 /nfs/dbraw/zinc/77/06/91/357770691.db2.gz JSQYZRKQTZSBPS-VIFPVBQESA-N 1 2 306.347 1.906 20 5 DDBDLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000598949641 357771831 /nfs/dbraw/zinc/77/18/31/357771831.db2.gz ZQEYGFRZSXQZNH-ZYHUDNBSSA-N 1 2 300.318 1.636 20 5 DDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](CO)[C@@H](O)C1 ZINC000599078640 357809079 /nfs/dbraw/zinc/80/90/79/357809079.db2.gz JCQDEAYYHPCCJC-RISCZKNCSA-N 1 2 303.318 1.323 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000599439975 357937425 /nfs/dbraw/zinc/93/74/25/357937425.db2.gz BYDLXNCATXHIDB-UHFFFAOYSA-N 1 2 301.350 1.636 20 5 DDBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000599439975 357937430 /nfs/dbraw/zinc/93/74/30/357937430.db2.gz BYDLXNCATXHIDB-UHFFFAOYSA-N 1 2 301.350 1.636 20 5 DDBDLO CNC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599540023 357967334 /nfs/dbraw/zinc/96/73/34/357967334.db2.gz UNTLXYOXGNORRL-SMDDNHRTSA-N 1 2 322.365 1.286 20 5 DDBDLO CNC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599540023 357967336 /nfs/dbraw/zinc/96/73/36/357967336.db2.gz UNTLXYOXGNORRL-SMDDNHRTSA-N 1 2 322.365 1.286 20 5 DDBDLO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000600315290 358193900 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/nfs/dbraw/zinc/59/84/80/421598480.db2.gz GTNIZWNLHXQLMN-UHFFFAOYSA-N 1 2 309.713 2.111 20 5 DDBDLO Nc1nc[nH+]c(NCCOc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000565635659 421598483 /nfs/dbraw/zinc/59/84/83/421598483.db2.gz GTNIZWNLHXQLMN-UHFFFAOYSA-N 1 2 309.713 2.111 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC000521595158 421792444 /nfs/dbraw/zinc/79/24/44/421792444.db2.gz SUDAKULSQXDZKN-ZDUSSCGKSA-N 1 2 315.329 1.745 20 5 DDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC000521595158 421792445 /nfs/dbraw/zinc/79/24/45/421792445.db2.gz SUDAKULSQXDZKN-ZDUSSCGKSA-N 1 2 315.329 1.745 20 5 DDBDLO COC(=O)COc1ccc(C[NH2+]CC(C)(F)F)cc1[N+](=O)[O-] ZINC000572546365 421799211 /nfs/dbraw/zinc/79/92/11/421799211.db2.gz YBXIKDIMJFFMLM-UHFFFAOYSA-N 1 2 318.276 1.891 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592201109 422331736 /nfs/dbraw/zinc/33/17/36/422331736.db2.gz URTACVVQTHFGHB-JQWIXIFHSA-N 1 2 312.297 1.090 20 5 DDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592201109 422331740 /nfs/dbraw/zinc/33/17/40/422331740.db2.gz URTACVVQTHFGHB-JQWIXIFHSA-N 1 2 312.297 1.090 20 5 DDBDLO Nc1n[nH]c(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000595491758 422357559 /nfs/dbraw/zinc/35/75/59/422357559.db2.gz XNPMGSZPXOCGLL-UHFFFAOYSA-N 1 2 318.337 1.380 20 5 DDBDLO C[N@@H+]1CCOC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000599161842 422401994 /nfs/dbraw/zinc/40/19/94/422401994.db2.gz WTLTVDAFEXULPX-LBPRGKRZSA-N 1 2 302.334 1.886 20 5 DDBDLO C[N@H+]1CCOC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000599161842 422401997 /nfs/dbraw/zinc/40/19/97/422401997.db2.gz WTLTVDAFEXULPX-LBPRGKRZSA-N 1 2 302.334 1.886 20 5 DDBDLO CCC1(CC)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@@]1=O ZINC000185293099 263392563 /nfs/dbraw/zinc/39/25/63/263392563.db2.gz UYJBGXLESRWURW-NRFANRHFSA-N 1 2 314.411 1.414 20 5 DDBDLO CCC1(CC)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@@]1=O ZINC000185293099 263392565 /nfs/dbraw/zinc/39/25/65/263392565.db2.gz UYJBGXLESRWURW-NRFANRHFSA-N 1 2 314.411 1.414 20 5 DDBDLO Cn1cc[nH+]c1CN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342222789 271344765 /nfs/dbraw/zinc/34/47/65/271344765.db2.gz AIODDIYSVLPLOX-UHFFFAOYSA-N 1 2 319.340 1.790 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193675506 280368870 /nfs/dbraw/zinc/36/88/70/280368870.db2.gz ODLHPDIZJNBFPZ-HNNXBMFYSA-N 1 2 308.334 1.465 20 5 DDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193675506 280368873 /nfs/dbraw/zinc/36/88/73/280368873.db2.gz ODLHPDIZJNBFPZ-HNNXBMFYSA-N 1 2 308.334 1.465 20 5 DDBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000451947352 297285577 /nfs/dbraw/zinc/28/55/77/297285577.db2.gz PGMUZUJDMBEFFU-NXEZZACHSA-N 1 2 322.346 1.776 20 5 DDBDLO Cc1cccc([N+](=O)[O-])c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354615199 298481483 /nfs/dbraw/zinc/48/14/83/298481483.db2.gz SSZSWGTZZPAMOJ-UHFFFAOYSA-N 1 2 301.350 1.949 20 5 DDBDLO O=C(C[N@@H+]1CCCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363130935 300216895 /nfs/dbraw/zinc/21/68/95/300216895.db2.gz CDSKBQDFTIRESW-UHFFFAOYSA-N 1 2 305.334 1.206 20 5 DDBDLO O=C(C[N@H+]1CCCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363130935 300216897 /nfs/dbraw/zinc/21/68/97/300216897.db2.gz CDSKBQDFTIRESW-UHFFFAOYSA-N 1 2 305.334 1.206 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368504815 301042930 /nfs/dbraw/zinc/04/29/30/301042930.db2.gz SDICCRDUEXHITK-CJNGLKHVSA-N 1 2 319.361 1.750 20 5 DDBDLO CC(=O)c1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000376403077 302073830 /nfs/dbraw/zinc/07/38/30/302073830.db2.gz LYNFTPIZFNQBMY-CQSZACIVSA-N 1 2 319.361 1.708 20 5 DDBDLO Cc1c(CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000378314604 302311346 /nfs/dbraw/zinc/31/13/46/302311346.db2.gz OFXJASGHFXREOM-GFCCVEGCSA-N 1 2 314.345 1.843 20 5 DDBDLO Cc1c(CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000378314604 302311347 /nfs/dbraw/zinc/31/13/47/302311347.db2.gz OFXJASGHFXREOM-GFCCVEGCSA-N 1 2 314.345 1.843 20 5 DDBDLO O=C(N[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448920467 302397028 /nfs/dbraw/zinc/39/70/28/302397028.db2.gz HHHJIHTYPQRTGU-LBPRGKRZSA-N 1 2 316.317 1.689 20 5 DDBDLO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cc(Cl)c2=O)C[C@@H](C)O1 ZINC000518797261 302830578 /nfs/dbraw/zinc/83/05/78/302830578.db2.gz PKSSYBOBLFXSGS-NXEZZACHSA-N 1 2 315.757 1.519 20 5 DDBDLO COc1ccc(CC(=O)NCc2[nH]c[nH+]c2C)cc1[N+](=O)[O-] ZINC000531013018 303225202 /nfs/dbraw/zinc/22/52/02/303225202.db2.gz XDBCJILFKOUPHH-UHFFFAOYSA-N 1 2 304.306 1.494 20 5 DDBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1n1cc[nH+]c1 ZINC000531841160 303260981 /nfs/dbraw/zinc/26/09/81/303260981.db2.gz IHCBZYQFLNXWFX-SMDDNHRTSA-N 1 2 317.349 1.853 20 5 DDBDLO COc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000542473233 303440048 /nfs/dbraw/zinc/44/00/48/303440048.db2.gz GTXMFQOSZSRCGZ-UHFFFAOYSA-N 1 2 304.306 1.309 20 5 DDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC2 ZINC000363669473 307032891 /nfs/dbraw/zinc/03/28/91/307032891.db2.gz CBUSLVMGMJBTPW-UHFFFAOYSA-N 1 2 319.296 1.477 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCOCC1 ZINC000374037192 307199919 /nfs/dbraw/zinc/19/99/19/307199919.db2.gz XSSZWRJMHLHRPK-UHFFFAOYSA-N 1 2 309.322 1.264 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCOCC1 ZINC000374037192 307199920 /nfs/dbraw/zinc/19/99/20/307199920.db2.gz XSSZWRJMHLHRPK-UHFFFAOYSA-N 1 2 309.322 1.264 20 5 DDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000374348821 307206022 /nfs/dbraw/zinc/20/60/22/307206022.db2.gz GXRWJAKWVKBHMH-GFCCVEGCSA-N 1 2 300.318 1.958 20 5 DDBDLO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1O ZINC000375968191 307236664 /nfs/dbraw/zinc/23/66/64/307236664.db2.gz HYSDYPNEOVGJDQ-UHFFFAOYSA-N 1 2 316.317 1.763 20 5 DDBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000580085459 308579337 /nfs/dbraw/zinc/57/93/37/308579337.db2.gz TWVZWUGMXHLKSL-UHFFFAOYSA-N 1 2 306.326 1.264 20 5 DDBDLO CC(C)(NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1[nH]cc[nH+]1 ZINC000583446251 332419418 /nfs/dbraw/zinc/41/94/18/332419418.db2.gz VQNLHFOZJAUMSQ-UHFFFAOYSA-N 1 2 318.289 1.712 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](F)C1 ZINC000452363556 534685438 /nfs/dbraw/zinc/68/54/38/534685438.db2.gz AMDWYLPJEDFPIW-LLVKDONJSA-N 1 2 304.281 1.965 20 5 DDBDLO CC(C)(CCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[N+](=O)[O-] ZINC000295605692 527006574 /nfs/dbraw/zinc/00/65/74/527006574.db2.gz YKMCVRVROVWISY-LBPRGKRZSA-N 1 2 306.366 1.612 20 5 DDBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000495225635 529191827 /nfs/dbraw/zinc/19/18/27/529191827.db2.gz QBANLYPGHCMRNM-ZDUSSCGKSA-N 1 2 321.377 1.916 20 5 DDBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000495225635 529191829 /nfs/dbraw/zinc/19/18/29/529191829.db2.gz QBANLYPGHCMRNM-ZDUSSCGKSA-N 1 2 321.377 1.916 20 5 DDBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799169430 700126079 /nfs/dbraw/zinc/12/60/79/700126079.db2.gz JIJHVHVOBARURR-RISCZKNCSA-N 1 2 310.350 1.902 20 5 DDBDLO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799169430 700126081 /nfs/dbraw/zinc/12/60/81/700126081.db2.gz JIJHVHVOBARURR-RISCZKNCSA-N 1 2 310.350 1.902 20 5 DDBDLO C[C@@H]1C[N@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])CCO1 ZINC000725789918 699333765 /nfs/dbraw/zinc/33/37/65/699333765.db2.gz SDKZMUGVXJLRKY-LLVKDONJSA-N 1 2 305.338 1.375 20 5 DDBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])CCO1 ZINC000725789918 699333770 /nfs/dbraw/zinc/33/37/70/699333770.db2.gz SDKZMUGVXJLRKY-LLVKDONJSA-N 1 2 305.338 1.375 20 5 DDBDLO COC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000793184987 699738281 /nfs/dbraw/zinc/73/82/81/699738281.db2.gz DSIYZPNUEVHVAU-NSHDSACASA-N 1 2 307.350 1.715 20 5 DDBDLO CC(C)OC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000770704742 701291119 /nfs/dbraw/zinc/29/11/19/701291119.db2.gz GXZCDZLWLTVYFE-JKSUJKDBSA-N 1 2 324.377 1.754 20 5 DDBDLO CC(C)OC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000770704742 701291120 /nfs/dbraw/zinc/29/11/20/701291120.db2.gz GXZCDZLWLTVYFE-JKSUJKDBSA-N 1 2 324.377 1.754 20 5 DDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2C)C1 ZINC000805478424 701385078 /nfs/dbraw/zinc/38/50/78/701385078.db2.gz UULGHTGMOGALIU-CQSZACIVSA-N 1 2 308.334 1.667 20 5 DDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2C)C1 ZINC000805478424 701385080 /nfs/dbraw/zinc/38/50/80/701385080.db2.gz UULGHTGMOGALIU-CQSZACIVSA-N 1 2 308.334 1.667 20 5 DDBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000805478623 701385149 /nfs/dbraw/zinc/38/51/49/701385149.db2.gz VFJAVYZLQVJDCP-ZDUSSCGKSA-N 1 2 312.297 1.498 20 5 DDBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000805478623 701385150 /nfs/dbraw/zinc/38/51/50/701385150.db2.gz VFJAVYZLQVJDCP-ZDUSSCGKSA-N 1 2 312.297 1.498 20 5 DDBDLO Cn1c[nH+]cc1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000807048764 701460721 /nfs/dbraw/zinc/46/07/21/701460721.db2.gz WZYWMYSGOBNEIS-UHFFFAOYSA-N 1 2 308.725 1.841 20 5 DDBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840160732 702003180 /nfs/dbraw/zinc/00/31/80/702003180.db2.gz RZNYSGCHTSGDQK-AWEZNQCLSA-N 1 2 310.354 1.803 20 5 DDBDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840160732 702003183 /nfs/dbraw/zinc/00/31/83/702003183.db2.gz RZNYSGCHTSGDQK-AWEZNQCLSA-N 1 2 310.354 1.803 20 5 DDBDLO CC[N@H+](C[C@@H](C)OC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000812301275 702142765 /nfs/dbraw/zinc/14/27/65/702142765.db2.gz FHXUWVOWTGBPGK-SNVBAGLBSA-N 1 2 309.322 1.817 20 5 DDBDLO CC[N@@H+](C[C@@H](C)OC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000812301275 702142766 /nfs/dbraw/zinc/14/27/66/702142766.db2.gz FHXUWVOWTGBPGK-SNVBAGLBSA-N 1 2 309.322 1.817 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOCC[C@H]2C)c1 ZINC000844314397 703011511 /nfs/dbraw/zinc/01/15/11/703011511.db2.gz PMMMCKWEFZHYRY-LLVKDONJSA-N 1 2 308.334 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOCC[C@H]2C)c1 ZINC000844314397 703011513 /nfs/dbraw/zinc/01/15/13/703011513.db2.gz PMMMCKWEFZHYRY-LLVKDONJSA-N 1 2 308.334 1.992 20 5 DDBDLO CN1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1=O ZINC000846920645 703351839 /nfs/dbraw/zinc/35/18/39/703351839.db2.gz LDYZABFMQHLHIG-GFCCVEGCSA-N 1 2 322.321 1.556 20 5 DDBDLO CN1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1=O ZINC000846920645 703351841 /nfs/dbraw/zinc/35/18/41/703351841.db2.gz LDYZABFMQHLHIG-GFCCVEGCSA-N 1 2 322.321 1.556 20 5 DDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857889587 704638647 /nfs/dbraw/zinc/63/86/47/704638647.db2.gz HQTQWLCBKLYCGS-JTQLQIEISA-N 1 2 315.333 1.212 20 5 DDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc21 ZINC000857977313 704653270 /nfs/dbraw/zinc/65/32/70/704653270.db2.gz VCBIVYPFFAYDCZ-LLVKDONJSA-N 1 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O=C1NCC[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]12 ZINC000880524246 707002599 /nfs/dbraw/zinc/00/25/99/707002599.db2.gz ROEBOYSOKHWNMP-FZMZJTMJSA-N 1 2 307.325 1.834 20 5 DDBDLO O=C1NCC[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]12 ZINC000880524246 707002603 /nfs/dbraw/zinc/00/26/03/707002603.db2.gz ROEBOYSOKHWNMP-FZMZJTMJSA-N 1 2 307.325 1.834 20 5 DDBDLO CCCc1n[nH]c(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000898611596 708810945 /nfs/dbraw/zinc/81/09/45/708810945.db2.gz YLMBXDQGJYRJQN-UHFFFAOYSA-N 1 2 307.354 1.191 20 5 DDBDLO CCCc1[nH]nc(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000898611596 708810947 /nfs/dbraw/zinc/81/09/47/708810947.db2.gz YLMBXDQGJYRJQN-UHFFFAOYSA-N 1 2 307.354 1.191 20 5 DDBDLO CCO[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000902529014 710783870 /nfs/dbraw/zinc/78/38/70/710783870.db2.gz UTXOXKNFNLSGCL-ZDUSSCGKSA-N 1 2 317.349 1.922 20 5 DDBDLO CCO[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000902529014 710783872 /nfs/dbraw/zinc/78/38/72/710783872.db2.gz UTXOXKNFNLSGCL-ZDUSSCGKSA-N 1 2 317.349 1.922 20 5 DDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928636608 713244205 /nfs/dbraw/zinc/24/42/05/713244205.db2.gz SGKZSYZXZOMBFM-ZDUSSCGKSA-N 1 2 307.350 1.435 20 5 DDBDLO C[C@H]1COC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000928920653 713512531 /nfs/dbraw/zinc/51/25/31/713512531.db2.gz SIKKGQIVVDPSIE-CMPLNLGQSA-N 1 2 316.317 1.545 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCn3cccc3C2)c1 ZINC000932531942 714356848 /nfs/dbraw/zinc/35/68/48/714356848.db2.gz WRHYQTALSPRPKD-HNNXBMFYSA-N 1 2 317.345 1.652 20 5 DDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCn3cccc3C2)c1 ZINC000932531942 714356851 /nfs/dbraw/zinc/35/68/51/714356851.db2.gz WRHYQTALSPRPKD-HNNXBMFYSA-N 1 2 317.345 1.652 20 5 DDBDLO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000933037817 714505841 /nfs/dbraw/zinc/50/58/41/714505841.db2.gz ATSMEPPLFUGZPD-CYBMUJFWSA-N 1 2 323.324 1.119 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935329598 715029138 /nfs/dbraw/zinc/02/91/38/715029138.db2.gz REMCVVPMXBDSMQ-CABCVRRESA-N 1 2 314.345 1.791 20 5 DDBDLO COC(=O)c1cc(NC[C@H]2COCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC001169658063 762581628 /nfs/dbraw/zinc/58/16/28/762581628.db2.gz USKDQQCFTWYNAA-ZDUSSCGKSA-N 1 2 309.322 1.124 20 5 DDBDLO COC(=O)c1cc(NC[C@H]2COCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC001169658063 762581631 /nfs/dbraw/zinc/58/16/31/762581631.db2.gz USKDQQCFTWYNAA-ZDUSSCGKSA-N 1 2 309.322 1.124 20 5 DDBDLO COC[C@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001170352183 766260321 /nfs/dbraw/zinc/26/03/21/766260321.db2.gz SYODCQFJPDMOAC-OAHLLOKOSA-N 1 2 320.349 1.302 20 5 DDBDLO COC[C@]1(CO)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001170352183 766260328 /nfs/dbraw/zinc/26/03/28/766260328.db2.gz SYODCQFJPDMOAC-OAHLLOKOSA-N 1 2 320.349 1.302 20 5 DDBDLO Cc1cc(NCCNC(=O)CCc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC001094225077 775594068 /nfs/dbraw/zinc/59/40/68/775594068.db2.gz OCOPZIWDQFXUQN-UHFFFAOYSA-N 1 2 317.349 1.787 20 5 DDBDLO Cc1cc(NCCNC(=O)CCc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC001094225077 775594081 /nfs/dbraw/zinc/59/40/81/775594081.db2.gz OCOPZIWDQFXUQN-UHFFFAOYSA-N 1 2 317.349 1.787 20 5 DDBDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC001176360306 778134556 /nfs/dbraw/zinc/13/45/56/778134556.db2.gz OWECWGSQRHDZNN-UHFFFAOYSA-N 1 2 306.278 1.548 20 5 DDBDLO CC(C)c1n[nH]c(C(=O)NCC(C)(C)n2cc[nH+]c2)c1[N+](=O)[O-] ZINC001149212727 861488936 /nfs/dbraw/zinc/48/89/36/861488936.db2.gz CBUOIGWKQFLOIK-UHFFFAOYSA-N 1 2 320.353 1.803 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001156249583 862861783 /nfs/dbraw/zinc/86/17/83/862861783.db2.gz NHFJJBHMJLIFHH-GWCFXTLKSA-N 1 2 316.317 1.458 20 5 DDBDLO CNc1nccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC001139979712 860532490 /nfs/dbraw/zinc/53/24/90/860532490.db2.gz AIAXBPQTOWBVLQ-UHFFFAOYSA-N 1 2 312.289 1.932 20 5 DDBDLO CCN(CCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157460203 863832643 /nfs/dbraw/zinc/83/26/43/863832643.db2.gz RXLXWORETJRCEO-UHFFFAOYSA-N 1 2 306.282 1.621 20 5 DDBDLO COc1ncnc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001160725768 866077248 /nfs/dbraw/zinc/07/72/48/866077248.db2.gz PWVWBKLKHICMHX-MNOVXSKESA-N 1 2 323.353 1.059 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001323239713 866461478 /nfs/dbraw/zinc/46/14/78/866461478.db2.gz UIXFMJKFVPFBKU-UHFFFAOYSA-N 1 2 304.310 1.002 20 5 DDBDLO Cc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1[N+](=O)[O-] ZINC001320828131 867059773 /nfs/dbraw/zinc/05/97/73/867059773.db2.gz VXFXDPSFJOUGKJ-UHFFFAOYSA-N 1 2 303.322 1.315 20 5 DDBDLO C[NH+](C)Cc1nc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])co1 ZINC001304115793 871191885 /nfs/dbraw/zinc/19/18/85/871191885.db2.gz AVNRECIPQIWZCE-UHFFFAOYSA-N 1 2 319.321 1.157 20 5 DDBDLO COc1c(O)ccc(C[N@@H+]2CCCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC001206826998 872627008 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DDBDLO C[N@@H+]1CCO[C@@H](COc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835711 887369374 /nfs/dbraw/zinc/36/93/74/887369374.db2.gz CYKDUGVKGMNABD-GFCCVEGCSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835711 887369379 /nfs/dbraw/zinc/36/93/79/887369379.db2.gz CYKDUGVKGMNABD-GFCCVEGCSA-N 1 2 303.318 1.852 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC001251645440 894761339 /nfs/dbraw/zinc/76/13/39/894761339.db2.gz NYUTZNMDBFFVRA-NSHDSACASA-N 1 2 305.338 1.375 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC001251645440 894761345 /nfs/dbraw/zinc/76/13/45/894761345.db2.gz NYUTZNMDBFFVRA-NSHDSACASA-N 1 2 305.338 1.375 20 5 DDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334557 231348642 /nfs/dbraw/zinc/34/86/42/231348642.db2.gz NLCJHRSOGWNOTJ-UHFFFAOYSA-N 1 2 302.294 1.357 20 5 DDBDLO Nc1c(C(=O)Nc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000452332217 231349022 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Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCn2cc[nH+]c2)c1C ZINC000030496126 406932621 /nfs/dbraw/zinc/93/26/21/406932621.db2.gz MMCHIQQJKXKRKV-UHFFFAOYSA-N 1 2 324.362 1.387 20 5 DDBDLO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000170802529 407511172 /nfs/dbraw/zinc/51/11/72/407511172.db2.gz GNVLOEDDXQSTBJ-UHFFFAOYSA-N 1 2 304.350 1.406 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170875209 407540740 /nfs/dbraw/zinc/54/07/40/407540740.db2.gz BIDCEQGHRMYHQA-UHFFFAOYSA-N 1 2 322.365 1.827 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170875209 407540746 /nfs/dbraw/zinc/54/07/46/407540746.db2.gz BIDCEQGHRMYHQA-UHFFFAOYSA-N 1 2 322.365 1.827 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000170909606 407550327 /nfs/dbraw/zinc/55/03/27/407550327.db2.gz SNNVBMPYRAFXDU-LBPRGKRZSA-N 1 2 307.350 1.704 20 5 DDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000170909606 407550334 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CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183351293 408388684 /nfs/dbraw/zinc/38/86/84/408388684.db2.gz MBPGKHLKVLEWDL-OAHLLOKOSA-N 1 2 307.350 1.240 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC=C(Br)C2)c1 ZINC000281616606 408897293 /nfs/dbraw/zinc/89/72/93/408897293.db2.gz JRSDVJDVVPWWIT-UHFFFAOYSA-N 1 2 301.144 1.776 20 5 DDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC=C(Br)C2)c1 ZINC000281616606 408897296 /nfs/dbraw/zinc/89/72/96/408897296.db2.gz JRSDVJDVVPWWIT-UHFFFAOYSA-N 1 2 301.144 1.776 20 5 DDBDLO CS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000282117555 408994554 /nfs/dbraw/zinc/99/45/54/408994554.db2.gz JHQPXEOBGNBYLV-CYBMUJFWSA-N 1 2 314.363 1.093 20 5 DDBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000282117555 408994556 /nfs/dbraw/zinc/99/45/56/408994556.db2.gz JHQPXEOBGNBYLV-CYBMUJFWSA-N 1 2 314.363 1.093 20 5 DDBDLO O=c1nc([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000289357060 409253221 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1.130 20 5 DDBDLO CC(C)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c[nH+]1 ZINC000346226073 409867665 /nfs/dbraw/zinc/86/76/65/409867665.db2.gz VBDAPZNBFQGAMK-UHFFFAOYSA-N 1 2 302.334 1.954 20 5 DDBDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000357534159 410089238 /nfs/dbraw/zinc/08/92/38/410089238.db2.gz NHMJRFHBDBFJRM-JTQLQIEISA-N 1 2 316.321 1.385 20 5 DDBDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000355063255 410281591 /nfs/dbraw/zinc/28/15/91/410281591.db2.gz XMJSEFUZXIOVSW-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000355063255 410281595 /nfs/dbraw/zinc/28/15/95/410281595.db2.gz XMJSEFUZXIOVSW-LLVKDONJSA-N 1 2 323.349 1.054 20 5 DDBDLO CNC(=O)[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347375049 410504608 /nfs/dbraw/zinc/50/46/08/410504608.db2.gz NERRICNKYMBAMV-LDCOFTPGSA-N 1 2 319.361 1.445 20 5 DDBDLO CNC(=O)[C@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347375049 410504610 /nfs/dbraw/zinc/50/46/10/410504610.db2.gz NERRICNKYMBAMV-LDCOFTPGSA-N 1 2 319.361 1.445 20 5 DDBDLO COc1cc(N(C)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000301626397 410756074 /nfs/dbraw/zinc/75/60/74/410756074.db2.gz QGMWCNHLRHXDGC-UHFFFAOYSA-N 1 2 313.329 1.511 20 5 DDBDLO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000330676732 410869512 /nfs/dbraw/zinc/86/95/12/410869512.db2.gz UOMBBHUZKOSZMD-NSHDSACASA-N 1 2 307.350 1.857 20 5 DDBDLO COC(=O)c1cnc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000302833927 410874872 /nfs/dbraw/zinc/87/48/72/410874872.db2.gz STDPNOMHZMRQDA-UHFFFAOYSA-N 1 2 303.278 1.366 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1C ZINC000331106882 410951585 /nfs/dbraw/zinc/95/15/85/410951585.db2.gz ADTMQEKDURSIGM-CYBMUJFWSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1C ZINC000331106882 410951588 /nfs/dbraw/zinc/95/15/88/410951588.db2.gz ADTMQEKDURSIGM-CYBMUJFWSA-N 1 2 307.350 1.713 20 5 DDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1F ZINC000366284274 418452482 /nfs/dbraw/zinc/45/24/82/418452482.db2.gz JPLSRJOIMLFRPU-MRVPVSSYSA-N 1 2 304.281 1.744 20 5 DDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1F ZINC000366284274 418452486 /nfs/dbraw/zinc/45/24/86/418452486.db2.gz JPLSRJOIMLFRPU-MRVPVSSYSA-N 1 2 304.281 1.744 20 5 DDBDLO CC[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000373803673 418461315 /nfs/dbraw/zinc/46/13/15/418461315.db2.gz FAVJZPNZWXGHBT-SMDDNHRTSA-N 1 2 310.354 1.098 20 5 DDBDLO CC[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000373803673 418461318 /nfs/dbraw/zinc/46/13/18/418461318.db2.gz FAVJZPNZWXGHBT-SMDDNHRTSA-N 1 2 310.354 1.098 20 5 DDBDLO COc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000291202348 222218725 /nfs/dbraw/zinc/21/87/25/222218725.db2.gz UTCNBORCPHVOLG-UHFFFAOYSA-N 1 2 302.290 1.456 20 5 DDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361383462 418639647 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DDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000456220263 421126136 /nfs/dbraw/zinc/12/61/36/421126136.db2.gz WOQFGSQFCCTQOG-OKILXGFUSA-N 1 2 323.324 1.327 20 5 DDBDLO CC[C@H](CCO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450181347 421158818 /nfs/dbraw/zinc/15/88/18/421158818.db2.gz QWAKBBZMBDOLNO-GFCCVEGCSA-N 1 2 318.333 1.671 20 5 DDBDLO COc1ccc(CNC(=O)C[NH+]2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000520834947 421765123 /nfs/dbraw/zinc/76/51/23/421765123.db2.gz SNUYMYBVLFMGDD-UHFFFAOYSA-N 1 2 307.350 1.561 20 5 DDBDLO Cc1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000541125503 421787085 /nfs/dbraw/zinc/78/70/85/421787085.db2.gz UCNQAPFNISTLFI-UHFFFAOYSA-N 1 2 322.346 1.345 20 5 DDBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000573978739 422043200 /nfs/dbraw/zinc/04/32/00/422043200.db2.gz CEPRNOHFLLFDJB-PHIMTYICSA-N 1 2 307.350 1.855 20 5 DDBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000573978739 422043206 /nfs/dbraw/zinc/04/32/06/422043206.db2.gz CEPRNOHFLLFDJB-PHIMTYICSA-N 1 2 307.350 1.855 20 5 DDBDLO CC(C)Oc1nc(NCC[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000577078017 422381381 /nfs/dbraw/zinc/38/13/81/422381381.db2.gz VYIOOPUBXVMWSO-LBPRGKRZSA-N 1 2 324.381 1.910 20 5 DDBDLO CC(C)Oc1nc(NCC[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000577078017 422381386 /nfs/dbraw/zinc/38/13/86/422381386.db2.gz VYIOOPUBXVMWSO-LBPRGKRZSA-N 1 2 324.381 1.910 20 5 DDBDLO Nc1ccc(NCc2[nH+]ccn2CC(F)(F)F)nc1[N+](=O)[O-] ZINC000596109824 422364980 /nfs/dbraw/zinc/36/49/80/422364980.db2.gz DYSJWVAJLWSONA-UHFFFAOYSA-N 1 2 316.243 1.943 20 5 DDBDLO COC(=O)c1ccnc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000598609309 422397880 /nfs/dbraw/zinc/39/78/80/422397880.db2.gz GNOCAOTZSWVYDB-UHFFFAOYSA-N 1 2 319.321 1.865 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000344750785 272109454 /nfs/dbraw/zinc/10/94/54/272109454.db2.gz DCUWJCHTXCMJDH-UHFFFAOYSA-N 1 2 318.333 1.754 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345244030 272199045 /nfs/dbraw/zinc/19/90/45/272199045.db2.gz DYNAVYDURCGFFA-ZDUSSCGKSA-N 1 2 323.397 1.421 20 5 DDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCOCC1 ZINC000033314159 279726875 /nfs/dbraw/zinc/72/68/75/279726875.db2.gz CDJSHSKCJZHJRR-PLNGDYQASA-N 1 2 305.334 1.056 20 5 DDBDLO Cn1cccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296051128 294381137 /nfs/dbraw/zinc/38/11/37/294381137.db2.gz PRBKKCVNLFXEAW-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000367437201 300847304 /nfs/dbraw/zinc/84/73/04/300847304.db2.gz VEGHQVQKUXSFGM-OLZOCXBDSA-N 1 2 306.366 1.598 20 5 DDBDLO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376406831 302074430 /nfs/dbraw/zinc/07/44/30/302074430.db2.gz KJVZVGAUFGRNKT-RYUDHWBXSA-N 1 2 319.361 1.999 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368790669 307109673 /nfs/dbraw/zinc/10/96/73/307109673.db2.gz IQQJTKUVKLVQGH-ZWNOBZJWSA-N 1 2 305.334 1.379 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368790669 307109674 /nfs/dbraw/zinc/10/96/74/307109674.db2.gz IQQJTKUVKLVQGH-ZWNOBZJWSA-N 1 2 305.334 1.379 20 5 DDBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000374049440 307200798 /nfs/dbraw/zinc/20/07/98/307200798.db2.gz IPIXHMSEUPGLSL-JTQLQIEISA-N 1 2 306.326 1.399 20 5 DDBDLO Cc1nc([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000374049440 307200799 /nfs/dbraw/zinc/20/07/99/307200799.db2.gz IPIXHMSEUPGLSL-JTQLQIEISA-N 1 2 306.326 1.399 20 5 DDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000374524096 307209596 /nfs/dbraw/zinc/20/95/96/307209596.db2.gz UZCZXSPGTYDAAW-UPJWGTAASA-N 1 2 309.753 1.478 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000548460141 307770073 /nfs/dbraw/zinc/77/00/73/307770073.db2.gz YMROZAYQQLJRQM-UHFFFAOYSA-N 1 2 313.317 1.782 20 5 DDBDLO COC(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000490889175 534001639 /nfs/dbraw/zinc/00/16/39/534001639.db2.gz KDNSCORZUCQEBO-UHFFFAOYSA-N 1 2 309.322 1.358 20 5 DDBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn(C)n2)cc1[N+](=O)[O-] ZINC000806167103 701428476 /nfs/dbraw/zinc/42/84/76/701428476.db2.gz KQHQAUQXMJSCIG-SNVBAGLBSA-N 1 2 305.338 1.973 20 5 DDBDLO CC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194211 703624674 /nfs/dbraw/zinc/62/46/74/703624674.db2.gz FXVLYMIRCGKOMD-SNVBAGLBSA-N 1 2 303.274 1.915 20 5 DDBDLO CC(C)[C@@H](O)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000849794657 703678821 /nfs/dbraw/zinc/67/88/21/703678821.db2.gz UDERUKCZXBIIKU-AWEZNQCLSA-N 1 2 319.317 1.954 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161400 705119633 /nfs/dbraw/zinc/11/96/33/705119633.db2.gz XXONVXRTWZGYPW-GMTAPVOTSA-N 1 2 319.317 1.027 20 5 DDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161400 705119636 /nfs/dbraw/zinc/11/96/36/705119636.db2.gz XXONVXRTWZGYPW-GMTAPVOTSA-N 1 2 319.317 1.027 20 5 DDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874703081 705135951 /nfs/dbraw/zinc/13/59/51/705135951.db2.gz QOPBOFOGAKHYBZ-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874703081 705135953 /nfs/dbraw/zinc/13/59/53/705135953.db2.gz QOPBOFOGAKHYBZ-CQSZACIVSA-N 1 2 321.377 1.364 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000876772817 705869123 /nfs/dbraw/zinc/86/91/23/705869123.db2.gz IROUPDAQOCWSSE-CYBMUJFWSA-N 1 2 321.377 1.237 20 5 DDBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877820640 706224572 /nfs/dbraw/zinc/22/45/72/706224572.db2.gz JCOZEKOYGVPWHZ-PSASIEDQSA-N 1 2 322.287 1.870 20 5 DDBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877820640 706224576 /nfs/dbraw/zinc/22/45/76/706224576.db2.gz JCOZEKOYGVPWHZ-PSASIEDQSA-N 1 2 322.287 1.870 20 5 DDBDLO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000878084457 706288233 /nfs/dbraw/zinc/28/82/33/706288233.db2.gz TTXVDLRSDLYIFA-JTQLQIEISA-N 1 2 304.306 1.866 20 5 DDBDLO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000878084457 706288235 /nfs/dbraw/zinc/28/82/35/706288235.db2.gz TTXVDLRSDLYIFA-JTQLQIEISA-N 1 2 304.306 1.866 20 5 DDBDLO COCC[N@H+](C)Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881226016 707157945 /nfs/dbraw/zinc/15/79/45/707157945.db2.gz JAOFJHLZZKPPHN-UHFFFAOYSA-N 1 2 323.328 1.452 20 5 DDBDLO COCC[N@@H+](C)Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881226016 707157950 /nfs/dbraw/zinc/15/79/50/707157950.db2.gz JAOFJHLZZKPPHN-UHFFFAOYSA-N 1 2 323.328 1.452 20 5 DDBDLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031129 707283446 /nfs/dbraw/zinc/28/34/46/707283446.db2.gz GOLWBHKTIFDDDT-VIFPVBQESA-N 1 2 304.343 1.819 20 5 DDBDLO CC(C)C(=O)NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885953647 708670322 /nfs/dbraw/zinc/67/03/22/708670322.db2.gz CCEREBAYISFQOG-UHFFFAOYSA-N 1 2 306.366 1.726 20 5 DDBDLO COc1c(C(=O)NCC(C)(C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000898906118 708918565 /nfs/dbraw/zinc/91/85/65/708918565.db2.gz AXHFMTUDFOKEQC-UHFFFAOYSA-N 1 2 318.333 1.965 20 5 DDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895650456 711569671 /nfs/dbraw/zinc/56/96/71/711569671.db2.gz VEKHIUIATHHNOP-UFBFGSQYSA-N 1 2 313.151 1.924 20 5 DDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895650456 711569674 /nfs/dbraw/zinc/56/96/74/711569674.db2.gz VEKHIUIATHHNOP-UFBFGSQYSA-N 1 2 313.151 1.924 20 5 DDBDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])s1 ZINC000905030391 711913231 /nfs/dbraw/zinc/91/32/31/711913231.db2.gz HJCUUZIPCBLIIQ-UHFFFAOYSA-N 1 2 321.424 1.145 20 5 DDBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000929520253 713628981 /nfs/dbraw/zinc/62/89/81/713628981.db2.gz LTKNHQKZCSPOLQ-JTQLQIEISA-N 1 2 301.140 1.924 20 5 DDBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000929520253 713628983 /nfs/dbraw/zinc/62/89/83/713628983.db2.gz LTKNHQKZCSPOLQ-JTQLQIEISA-N 1 2 301.140 1.924 20 5 DDBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000921412006 713761022 /nfs/dbraw/zinc/76/10/22/713761022.db2.gz CXSZEBLTNNFUHC-NSHDSACASA-N 1 2 313.379 1.194 20 5 DDBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000921412006 713761024 /nfs/dbraw/zinc/76/10/24/713761024.db2.gz CXSZEBLTNNFUHC-NSHDSACASA-N 1 2 313.379 1.194 20 5 DDBDLO COc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cnc1[N+](=O)[O-] ZINC001168373124 743623250 /nfs/dbraw/zinc/62/32/50/743623250.db2.gz QFPCGRPQMLUPLO-SNVBAGLBSA-N 1 2 308.338 1.274 20 5 DDBDLO COc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cnc1[N+](=O)[O-] ZINC001168373124 743623253 /nfs/dbraw/zinc/62/32/53/743623253.db2.gz QFPCGRPQMLUPLO-SNVBAGLBSA-N 1 2 308.338 1.274 20 5 DDBDLO Cc1ccc(CC[NH+]2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001042705177 764372965 /nfs/dbraw/zinc/37/29/65/764372965.db2.gz KTZNEZAKAKCUAU-HZPDHXFCSA-N 1 2 317.389 1.345 20 5 DDBDLO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170327823 766253539 /nfs/dbraw/zinc/25/35/39/766253539.db2.gz IFBLCCQLNWMCCV-FZMZJTMJSA-N 1 2 310.350 1.228 20 5 DDBDLO COc1ccc(C[C@H](C)[N@H+]2CCO[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170327823 766253546 /nfs/dbraw/zinc/25/35/46/766253546.db2.gz IFBLCCQLNWMCCV-FZMZJTMJSA-N 1 2 310.350 1.228 20 5 DDBDLO Cc1nn(CCC(=O)Nc2c(C)c[nH+]cc2C)c(C)c1[N+](=O)[O-] ZINC001133455186 769854384 /nfs/dbraw/zinc/85/43/84/769854384.db2.gz DKIBATYIMZGOHG-UHFFFAOYSA-N 1 2 317.349 1.871 20 5 DDBDLO COC(=O)C[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235765 777064403 /nfs/dbraw/zinc/06/44/03/777064403.db2.gz ZEAQOWPFZVDGRP-IUODEOHRSA-N 1 2 322.361 1.790 20 5 DDBDLO COC(=O)C[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173235765 777064406 /nfs/dbraw/zinc/06/44/06/777064406.db2.gz ZEAQOWPFZVDGRP-IUODEOHRSA-N 1 2 322.361 1.790 20 5 DDBDLO O=C(/C=C/C[NH+]1CCOCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000864979353 851643298 /nfs/dbraw/zinc/64/32/98/851643298.db2.gz JOSNFMWDAVTQPP-OWOJBTEDSA-N 1 2 319.361 1.142 20 5 DDBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330167998 864121743 /nfs/dbraw/zinc/12/17/43/864121743.db2.gz ZSYLYZDUGIPNES-GFCCVEGCSA-N 1 2 312.329 1.896 20 5 DDBDLO CC(C)[N@@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC001158495052 864687664 /nfs/dbraw/zinc/68/76/64/864687664.db2.gz VOTOCXPSXGWVMJ-JTQLQIEISA-N 1 2 314.773 1.801 20 5 DDBDLO CC(C)[N@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC001158495052 864687670 /nfs/dbraw/zinc/68/76/70/864687670.db2.gz VOTOCXPSXGWVMJ-JTQLQIEISA-N 1 2 314.773 1.801 20 5 DDBDLO O=C1NCc2c1c([N+](=O)[O-])ccc2NCCCn1cc[nH+]c1 ZINC001161689341 866896680 /nfs/dbraw/zinc/89/66/80/866896680.db2.gz NYGIUCXLUYAFLR-UHFFFAOYSA-N 1 2 301.306 1.537 20 5 DDBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CCCC[NH2+]C2)[nH]1 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Cn1cc[nH+]c1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000348214043 283419807 /nfs/dbraw/zinc/41/98/07/283419807.db2.gz BZFBYVMZUCZKAC-UHFFFAOYSA-N 1 2 318.337 1.240 20 5 DDBDLO COC(=O)[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000602805629 359203870 /nfs/dbraw/zinc/20/38/70/359203870.db2.gz CAALOFCVAZACQD-CQSZACIVSA-N 1 2 324.381 1.811 20 5 DDBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818314 359213665 /nfs/dbraw/zinc/21/36/65/359213665.db2.gz MUJJQQRQEHGFSX-ZYHUDNBSSA-N 1 2 310.354 1.373 20 5 DDBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818314 359213667 /nfs/dbraw/zinc/21/36/67/359213667.db2.gz MUJJQQRQEHGFSX-ZYHUDNBSSA-N 1 2 310.354 1.373 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602908709 359287697 /nfs/dbraw/zinc/28/76/97/359287697.db2.gz QBOVWDUFHOWKPJ-CHWSQXEVSA-N 1 2 317.349 1.648 20 5 DDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602908709 359287701 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195095004 /nfs/dbraw/zinc/09/50/04/195095004.db2.gz HQDTZLJPVLXWDB-NSHDSACASA-N 1 2 323.349 1.246 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000120092149 195095006 /nfs/dbraw/zinc/09/50/06/195095006.db2.gz HQDTZLJPVLXWDB-NSHDSACASA-N 1 2 323.349 1.246 20 5 DDBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156864153 197146727 /nfs/dbraw/zinc/14/67/27/197146727.db2.gz RJYRHTQFXKHOND-CYBMUJFWSA-N 1 2 317.349 1.939 20 5 DDBDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156864153 197146729 /nfs/dbraw/zinc/14/67/29/197146729.db2.gz RJYRHTQFXKHOND-CYBMUJFWSA-N 1 2 317.349 1.939 20 5 DDBDLO COc1ccc(C[NH2+]Cc2nccnc2OC)cc1[N+](=O)[O-] ZINC000296599254 533676948 /nfs/dbraw/zinc/67/69/48/533676948.db2.gz YHHXYUHXZBGEDU-UHFFFAOYSA-N 1 2 304.306 1.692 20 5 DDBDLO Cc1cccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000047161952 407070846 /nfs/dbraw/zinc/07/08/46/407070846.db2.gz KJPPKXWEMMGNCV-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000106880365 407363991 /nfs/dbraw/zinc/36/39/91/407363991.db2.gz LVHTZWPXJAZFBE-JTQLQIEISA-N 1 2 313.741 1.907 20 5 DDBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000106880365 407363992 /nfs/dbraw/zinc/36/39/92/407363992.db2.gz LVHTZWPXJAZFBE-JTQLQIEISA-N 1 2 313.741 1.907 20 5 DDBDLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000151728652 407487360 /nfs/dbraw/zinc/48/73/60/407487360.db2.gz LRQFMLLCKQKKIN-KGLIPLIRSA-N 1 2 305.334 1.058 20 5 DDBDLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000151728652 407487367 /nfs/dbraw/zinc/48/73/67/407487367.db2.gz LRQFMLLCKQKKIN-KGLIPLIRSA-N 1 2 305.334 1.058 20 5 DDBDLO COCC[N@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170804136 407511093 /nfs/dbraw/zinc/51/10/93/407511093.db2.gz UFNQVNPREBAJQO-UHFFFAOYSA-N 1 2 322.321 1.086 20 5 DDBDLO COCC[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170804136 407511097 /nfs/dbraw/zinc/51/10/97/407511097.db2.gz UFNQVNPREBAJQO-UHFFFAOYSA-N 1 2 322.321 1.086 20 5 DDBDLO Cn1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000271140015 407533840 /nfs/dbraw/zinc/53/38/40/407533840.db2.gz UTBIQDFIXHKRRR-UHFFFAOYSA-N 1 2 301.350 1.651 20 5 DDBDLO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179479971 407791519 /nfs/dbraw/zinc/79/15/19/407791519.db2.gz ZVANLLBPJYLYRU-GFCCVEGCSA-N 1 2 307.350 1.857 20 5 DDBDLO CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267294161 407824739 /nfs/dbraw/zinc/82/47/39/407824739.db2.gz YSYLCYJVNYTIPH-UHFFFAOYSA-N 1 2 315.171 1.894 20 5 DDBDLO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000175441617 408130791 /nfs/dbraw/zinc/13/07/91/408130791.db2.gz UESUJRQYOUJHNE-RYUDHWBXSA-N 1 2 307.350 1.903 20 5 DDBDLO COC(=O)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000190087884 408162368 /nfs/dbraw/zinc/16/23/68/408162368.db2.gz VZHVHOSJTWUELJ-LLVKDONJSA-N 1 2 323.349 1.173 20 5 DDBDLO COC(=O)[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000190087884 408162373 /nfs/dbraw/zinc/16/23/73/408162373.db2.gz VZHVHOSJTWUELJ-LLVKDONJSA-N 1 2 323.349 1.173 20 5 DDBDLO O=C1CN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c[nH+]2)CCN1 ZINC000190315473 408219190 /nfs/dbraw/zinc/21/91/90/408219190.db2.gz UOTZZRMHTXKKJE-UHFFFAOYSA-N 1 2 320.334 1.126 20 5 DDBDLO O=C1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2N1 ZINC000246623774 408303827 /nfs/dbraw/zinc/30/38/27/408303827.db2.gz NWXXVTQBGCAGOC-LSDHHAIUSA-N 1 2 319.361 1.717 20 5 DDBDLO O=C1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2N1 ZINC000246623774 408303835 /nfs/dbraw/zinc/30/38/35/408303835.db2.gz NWXXVTQBGCAGOC-LSDHHAIUSA-N 1 2 319.361 1.717 20 5 DDBDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183351313 408388812 /nfs/dbraw/zinc/38/88/12/408388812.db2.gz MBPGKHLKVLEWDL-HNNXBMFYSA-N 1 2 307.350 1.240 20 5 DDBDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183351313 408388814 /nfs/dbraw/zinc/38/88/14/408388814.db2.gz MBPGKHLKVLEWDL-HNNXBMFYSA-N 1 2 307.350 1.240 20 5 DDBDLO Cc1cccc(N2CC[NH+](CC(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000275447896 408589084 /nfs/dbraw/zinc/58/90/84/408589084.db2.gz LFQNVABIAFVNEY-UHFFFAOYSA-N 1 2 318.377 1.304 20 5 DDBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)c2nonc21 ZINC000277423981 408938022 /nfs/dbraw/zinc/93/80/22/408938022.db2.gz LXUNCBVHGWXZGI-UHFFFAOYSA-N 1 2 319.321 1.408 20 5 DDBDLO CC(C)[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000283142077 409096920 /nfs/dbraw/zinc/09/69/20/409096920.db2.gz XXLSIIATKJWCIE-SNVBAGLBSA-N 1 2 305.294 1.546 20 5 DDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283217083 409113725 /nfs/dbraw/zinc/11/37/25/409113725.db2.gz ANKJSRSGLQBFSW-UHFFFAOYSA-N 1 2 321.312 1.761 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nccnc1OC ZINC000295175538 409356137 /nfs/dbraw/zinc/35/61/37/409356137.db2.gz MBAIEBSBYFSOMH-UHFFFAOYSA-N 1 2 304.306 1.692 20 5 DDBDLO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000348821636 409533482 /nfs/dbraw/zinc/53/34/82/409533482.db2.gz KHOQLMBXTOMTTO-UHFFFAOYSA-N 1 2 320.349 1.088 20 5 DDBDLO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000348821636 409533493 /nfs/dbraw/zinc/53/34/93/409533493.db2.gz KHOQLMBXTOMTTO-UHFFFAOYSA-N 1 2 320.349 1.088 20 5 DDBDLO CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)C[NH+]1CCOCC1 ZINC000308662390 409784688 /nfs/dbraw/zinc/78/46/88/409784688.db2.gz GBNOUKMSDJPRLX-UHFFFAOYSA-N 1 2 311.386 1.642 20 5 DDBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCn2c[nH+]cc2C1 ZINC000343122949 410164450 /nfs/dbraw/zinc/16/44/50/410164450.db2.gz RJKFUYVOVOOWFA-LLVKDONJSA-N 1 2 300.318 1.670 20 5 DDBDLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)cc([N+](=O)[O-])c1OC ZINC000346820046 410174038 /nfs/dbraw/zinc/17/40/38/410174038.db2.gz VOVPJMLJXUKREP-UHFFFAOYSA-N 1 2 317.301 1.990 20 5 DDBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354930745 410180728 /nfs/dbraw/zinc/18/07/28/410180728.db2.gz NOZWNCJECDPLQT-UHFFFAOYSA-N 1 2 312.285 1.878 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332646010 410192448 /nfs/dbraw/zinc/19/24/48/410192448.db2.gz SNPNGBOPKFNUCM-GWCFXTLKSA-N 1 2 318.333 1.200 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332646010 410192455 /nfs/dbraw/zinc/19/24/55/410192455.db2.gz SNPNGBOPKFNUCM-GWCFXTLKSA-N 1 2 318.333 1.200 20 5 DDBDLO Cc1ccc2[nH+]c(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cn2c1 ZINC000343220202 410246582 /nfs/dbraw/zinc/24/65/82/410246582.db2.gz ZWKSQIPWDYNTHI-UHFFFAOYSA-N 1 2 300.278 1.204 20 5 DDBDLO COC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000355053291 410270845 /nfs/dbraw/zinc/27/08/45/410270845.db2.gz OJQQBDAVMOKTOV-WCQYABFASA-N 1 2 310.350 1.694 20 5 DDBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355553400 410576195 /nfs/dbraw/zinc/57/61/95/410576195.db2.gz LNGSBRXJKKZBBM-UHFFFAOYSA-N 1 2 317.349 1.320 20 5 DDBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355553400 410576206 /nfs/dbraw/zinc/57/62/06/410576206.db2.gz LNGSBRXJKKZBBM-UHFFFAOYSA-N 1 2 317.349 1.320 20 5 DDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355509476 410556143 /nfs/dbraw/zinc/55/61/43/410556143.db2.gz PPVQOEFNDZXKNA-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355509476 410556150 /nfs/dbraw/zinc/55/61/50/410556150.db2.gz PPVQOEFNDZXKNA-NSHDSACASA-N 1 2 308.338 1.437 20 5 DDBDLO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000331224139 411026730 /nfs/dbraw/zinc/02/67/30/411026730.db2.gz CWOPUHWJWFZQHU-UHFFFAOYSA-N 1 2 307.350 1.857 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353628682 411089222 /nfs/dbraw/zinc/08/92/22/411089222.db2.gz BRBRVGCPQXEDPK-OCCSQVGLSA-N 1 2 302.334 1.796 20 5 DDBDLO CNc1c(C(=O)N(C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000360950582 418553020 /nfs/dbraw/zinc/55/30/20/418553020.db2.gz FAMKISSOWZOGIC-UHFFFAOYSA-N 1 2 317.349 1.995 20 5 DDBDLO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1 ZINC000361150829 418594491 /nfs/dbraw/zinc/59/44/91/418594491.db2.gz RBEHPYHMHSIQNE-UHFFFAOYSA-N 1 2 313.277 1.161 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365143163 418838721 /nfs/dbraw/zinc/83/87/21/418838721.db2.gz MLRNXNVMKCBMCS-ZDUSSCGKSA-N 1 2 322.321 1.019 20 5 DDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365143163 418838723 /nfs/dbraw/zinc/83/87/23/418838723.db2.gz MLRNXNVMKCBMCS-ZDUSSCGKSA-N 1 2 322.321 1.019 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411912667 419476840 /nfs/dbraw/zinc/47/68/40/419476840.db2.gz PZMLUNXDNFQFEZ-WOPDTQHZSA-N 1 2 323.349 1.003 20 5 DDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411912667 419476844 /nfs/dbraw/zinc/47/68/44/419476844.db2.gz 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/nfs/dbraw/zinc/14/33/49/702143349.db2.gz LBJPLGMWMDRINX-JTQLQIEISA-N 1 2 321.333 1.505 20 5 DDBDLO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000842489041 702728416 /nfs/dbraw/zinc/72/84/16/702728416.db2.gz XOKFBQMMFVQGGB-CHWSQXEVSA-N 1 2 318.333 1.810 20 5 DDBDLO Cc1cc(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1[NH+](C)C ZINC000819409082 704121914 /nfs/dbraw/zinc/12/19/14/704121914.db2.gz VHKAMTRVUPFBOD-CQSZACIVSA-N 1 2 319.365 1.639 20 5 DDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1F ZINC000857943150 704646161 /nfs/dbraw/zinc/64/61/61/704646161.db2.gz CXYRBRVGEAJZCN-VIFPVBQESA-N 1 2 304.281 1.675 20 5 DDBDLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858324785 704695124 /nfs/dbraw/zinc/69/51/24/704695124.db2.gz FYSSZAQOKBMOGL-MRVPVSSYSA-N 1 2 301.730 1.746 20 5 DDBDLO Cn1nccc1[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000878702469 706473435 /nfs/dbraw/zinc/47/34/35/706473435.db2.gz KZXIGUDTYVVTDZ-LLVKDONJSA-N 1 2 310.741 1.805 20 5 DDBDLO C[C@@H]1[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C ZINC000878752989 706489536 /nfs/dbraw/zinc/48/95/36/706489536.db2.gz UXMVMRIHPNAJHP-OXJKWZBOSA-N 1 2 321.377 1.568 20 5 DDBDLO C[C@@H]1[C@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C ZINC000878752989 706489538 /nfs/dbraw/zinc/48/95/38/706489538.db2.gz UXMVMRIHPNAJHP-OXJKWZBOSA-N 1 2 321.377 1.568 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880527922 707004656 /nfs/dbraw/zinc/00/46/56/707004656.db2.gz WDBAYDGNNZWTPM-IAQYHMDHSA-N 1 2 319.361 1.704 20 5 DDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880527922 707004661 /nfs/dbraw/zinc/00/46/61/707004661.db2.gz WDBAYDGNNZWTPM-IAQYHMDHSA-N 1 2 319.361 1.704 20 5 DDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000882767058 707784201 /nfs/dbraw/zinc/78/42/01/707784201.db2.gz ZKTNMAKAFHWSTL-SECBINFHSA-N 1 2 317.342 1.106 20 5 DDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000882767058 707784205 /nfs/dbraw/zinc/78/42/05/707784205.db2.gz ZKTNMAKAFHWSTL-SECBINFHSA-N 1 2 317.342 1.106 20 5 DDBDLO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892342482 710420506 /nfs/dbraw/zinc/42/05/06/710420506.db2.gz OJGKGENUPWIDBM-WDEREUQCSA-N 1 2 310.354 1.520 20 5 DDBDLO Cc1ccc(Br)cc1NC(=O)C[NH2+]CC[N+](=O)[O-] ZINC000905083530 711930502 /nfs/dbraw/zinc/93/05/02/711930502.db2.gz WCZPNROANIWQED-UHFFFAOYSA-N 1 2 316.155 1.562 20 5 DDBDLO CCCCCNC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000917445086 713498455 /nfs/dbraw/zinc/49/84/55/713498455.db2.gz ZEHNCUDVGPOPLN-UHFFFAOYSA-N 1 2 323.397 1.767 20 5 DDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000918582494 713550094 /nfs/dbraw/zinc/55/00/94/713550094.db2.gz ARWBWHYJWFJGCD-VIFPVBQESA-N 1 2 319.277 1.518 20 5 DDBDLO Cc1c(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000933730295 714657259 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20 5 DDBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccon1 ZINC001031561325 747040911 /nfs/dbraw/zinc/04/09/11/747040911.db2.gz IAGXFBRLYZSTCC-UHFFFAOYSA-N 1 2 316.317 1.445 20 5 DDBDLO O=C(OCc1ccccc1)[C@@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956883 762153962 /nfs/dbraw/zinc/15/39/62/762153962.db2.gz CMQLSIXTZLAFSJ-SOUVJXGZSA-N 1 2 322.361 1.126 20 5 DDBDLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033286 762189447 /nfs/dbraw/zinc/18/94/47/762189447.db2.gz BSDMCSFTUCHOKE-RYUDHWBXSA-N 1 2 322.365 1.321 20 5 DDBDLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033286 762189453 /nfs/dbraw/zinc/18/94/53/762189453.db2.gz BSDMCSFTUCHOKE-RYUDHWBXSA-N 1 2 322.365 1.321 20 5 DDBDLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033285 762189499 /nfs/dbraw/zinc/18/94/99/762189499.db2.gz BSDMCSFTUCHOKE-NWDGAFQWSA-N 1 2 322.365 1.321 20 5 DDBDLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033285 762189502 /nfs/dbraw/zinc/18/95/02/762189502.db2.gz BSDMCSFTUCHOKE-NWDGAFQWSA-N 1 2 322.365 1.321 20 5 DDBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170336528 766257997 /nfs/dbraw/zinc/25/79/97/766257997.db2.gz YSOIEHSQUIPHNM-LLVKDONJSA-N 1 2 307.350 1.356 20 5 DDBDLO COc1ccc(C[C@@H](C)[N@H+]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170336528 766258000 /nfs/dbraw/zinc/25/80/00/766258000.db2.gz YSOIEHSQUIPHNM-LLVKDONJSA-N 1 2 307.350 1.356 20 5 DDBDLO COc1nc(C)c(-n2[nH]c(=O)c(CC[NH3+])c2C)cc1[N+](=O)[O-] ZINC001170343487 766274923 /nfs/dbraw/zinc/27/49/23/766274923.db2.gz UNRWLGQKAKXFQP-UHFFFAOYSA-N 1 2 307.310 1.008 20 5 DDBDLO Cc1ccnc(NCCN(C)C(=O)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC001101671745 777373488 /nfs/dbraw/zinc/37/34/88/777373488.db2.gz CTEGVZUEGIMNIB-UHFFFAOYSA-N 1 2 318.337 1.065 20 5 DDBDLO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001101671746 777373526 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Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001301547031 870998807 /nfs/dbraw/zinc/99/88/07/870998807.db2.gz MRQQKKANUGFNNS-NSHDSACASA-N 1 2 304.306 1.100 20 5 DDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001304057174 871183306 /nfs/dbraw/zinc/18/33/06/871183306.db2.gz ZJXWGOPTKRYDRV-UHFFFAOYSA-N 1 2 315.333 1.709 20 5 DDBDLO Cn1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(O)cc3)CC2)n1 ZINC001307192241 871406545 /nfs/dbraw/zinc/40/65/45/871406545.db2.gz SGKYRYOHIAQUKO-UHFFFAOYSA-N 1 2 317.349 1.356 20 5 DDBDLO CCNc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c[nH+]1 ZINC001307233351 871415625 /nfs/dbraw/zinc/41/56/25/871415625.db2.gz CRRXFUKDTNLJCD-UHFFFAOYSA-N 1 2 302.294 1.659 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2c(C)nnc2[C@@H]1C ZINC001308176831 871477831 /nfs/dbraw/zinc/47/78/31/871477831.db2.gz DEWWOBADCLCBKS-VIFPVBQESA-N 1 2 305.342 1.076 20 5 DDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2c(C)nnc2[C@@H]1C ZINC001308176831 871477842 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CC(=O)N1CCC([N@H+](CC[N+](=O)[O-])Cc2cncs2)CC1 ZINC001354751328 878196226 /nfs/dbraw/zinc/19/62/26/878196226.db2.gz CQVGFRAOAHUZNP-UHFFFAOYSA-N 1 2 312.395 1.233 20 5 DDBDLO C[N@@H+]1CCO[C@@H](COc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231155881 885304436 /nfs/dbraw/zinc/30/44/36/885304436.db2.gz FMRNUMPUWZNRMN-CYBMUJFWSA-N 1 2 303.318 1.852 20 5 DDBDLO C[N@H+]1CCO[C@@H](COc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231155881 885304456 /nfs/dbraw/zinc/30/44/56/885304456.db2.gz FMRNUMPUWZNRMN-CYBMUJFWSA-N 1 2 303.318 1.852 20 5 DDBDLO O=C(NCCCCn1cc[nH+]c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001292966951 914125901 /nfs/dbraw/zinc/12/59/01/914125901.db2.gz UHXYBGNVTFPRKW-AWEZNQCLSA-N 1 2 318.333 1.421 20 5 DDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2[nH+]ccn2C)c1C ZINC001263921904 900820341 /nfs/dbraw/zinc/82/03/41/900820341.db2.gz JNXHSQYQODGVEH-UHFFFAOYSA-N 1 2 302.334 1.918 20 5 DDBDLO O=C(NC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032478270 539030772 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COCCN1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000346382325 283080220 /nfs/dbraw/zinc/08/02/20/283080220.db2.gz KSIUDNWZEUAYKU-CYBMUJFWSA-N 1 2 321.377 1.837 20 5 DDBDLO COCCN1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000346382325 283080224 /nfs/dbraw/zinc/08/02/24/283080224.db2.gz KSIUDNWZEUAYKU-CYBMUJFWSA-N 1 2 321.377 1.837 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000593019364 355771193 /nfs/dbraw/zinc/77/11/93/355771193.db2.gz GNRRNXFPVPZUKG-OAHLLOKOSA-N 1 2 320.345 1.992 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000593019364 355771197 /nfs/dbraw/zinc/77/11/97/355771197.db2.gz GNRRNXFPVPZUKG-OAHLLOKOSA-N 1 2 320.345 1.992 20 5 DDBDLO CC(C)(C)OC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000594052657 356098915 /nfs/dbraw/zinc/09/89/15/356098915.db2.gz VKRJKXLQKOLGPF-UHFFFAOYSA-N 1 2 324.381 1.988 20 5 DDBDLO CC(C)(C)OC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000594052657 356098918 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DDBDLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000597860989 357362496 /nfs/dbraw/zinc/36/24/96/357362496.db2.gz QVVPMDQTXQBVIX-JTQLQIEISA-N 1 2 307.350 1.903 20 5 DDBDLO COc1ccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000597865132 357364256 /nfs/dbraw/zinc/36/42/56/357364256.db2.gz SROCXDXEKVPERG-UHFFFAOYSA-N 1 2 304.306 1.528 20 5 DDBDLO COc1ccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000597865132 357364261 /nfs/dbraw/zinc/36/42/61/357364261.db2.gz SROCXDXEKVPERG-UHFFFAOYSA-N 1 2 304.306 1.528 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597995365 357410768 /nfs/dbraw/zinc/41/07/68/357410768.db2.gz FKXUHJHCFBCJCO-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO Cc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597995365 357410771 /nfs/dbraw/zinc/41/07/71/357410771.db2.gz FKXUHJHCFBCJCO-OLZOCXBDSA-N 1 2 321.377 1.742 20 5 DDBDLO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598459637 357591097 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408300142 /nfs/dbraw/zinc/30/01/42/408300142.db2.gz QWSZDZMBNXHXSY-QPJJXVBHSA-N 1 2 319.361 1.399 20 5 DDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000131260328 162010104 /nfs/dbraw/zinc/01/01/04/162010104.db2.gz QUWXKTNIJFDGNH-GFCCVEGCSA-N 1 2 317.349 1.359 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176383863 408352225 /nfs/dbraw/zinc/35/22/25/408352225.db2.gz KJCDVLCDPZDLDB-JTQLQIEISA-N 1 2 303.322 1.561 20 5 DDBDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154433 162262126 /nfs/dbraw/zinc/26/21/26/162262126.db2.gz WRVISAXSGQVKBM-GXTWGEPZSA-N 1 2 321.377 1.710 20 5 DDBDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172154433 162262128 /nfs/dbraw/zinc/26/21/28/162262128.db2.gz WRVISAXSGQVKBM-GXTWGEPZSA-N 1 2 321.377 1.710 20 5 DDBDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000269620692 408363975 /nfs/dbraw/zinc/36/39/75/408363975.db2.gz ASOOPQVMJFZZPI-LBPRGKRZSA-N 1 2 306.322 1.845 20 5 DDBDLO CC[C@@H](CO)[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269664501 408383333 /nfs/dbraw/zinc/38/33/33/408383333.db2.gz VILLIOVLYLGFRP-JTQLQIEISA-N 1 2 315.320 1.766 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264194932 408396752 /nfs/dbraw/zinc/39/67/52/408396752.db2.gz CSKHCSCFKZCOMK-CHWSQXEVSA-N 1 2 321.377 1.742 20 5 DDBDLO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184831862 408698226 /nfs/dbraw/zinc/69/82/26/408698226.db2.gz HNBYELBPFWHSLK-LLVKDONJSA-N 1 2 307.350 1.714 20 5 DDBDLO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184831862 408698231 /nfs/dbraw/zinc/69/82/31/408698231.db2.gz HNBYELBPFWHSLK-LLVKDONJSA-N 1 2 307.350 1.714 20 5 DDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178351817 408809277 /nfs/dbraw/zinc/80/92/77/408809277.db2.gz YDTDXQOIBMKOGH-UHFFFAOYSA-N 1 2 311.301 1.876 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000163077889 408756520 /nfs/dbraw/zinc/75/65/20/408756520.db2.gz LUCODQQUPHCPHX-GFCCVEGCSA-N 1 2 322.365 1.745 20 5 DDBDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276949706 408903919 /nfs/dbraw/zinc/90/39/19/408903919.db2.gz VUGAADFGOXGGCM-HONMWMINSA-N 1 2 323.349 1.267 20 5 DDBDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276949706 408903922 /nfs/dbraw/zinc/90/39/22/408903922.db2.gz VUGAADFGOXGGCM-HONMWMINSA-N 1 2 323.349 1.267 20 5 DDBDLO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000277260649 408907980 /nfs/dbraw/zinc/90/79/80/408907980.db2.gz QXOPHZJZMCCTDC-XUSGNXJCSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000277260649 408907983 /nfs/dbraw/zinc/90/79/83/408907983.db2.gz QXOPHZJZMCCTDC-XUSGNXJCSA-N 1 2 312.391 1.817 20 5 DDBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000281989721 408967288 /nfs/dbraw/zinc/96/72/88/408967288.db2.gz NGVOAPYGZWRLFL-JTQLQIEISA-N 1 2 317.353 1.915 20 5 DDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284336124 409323691 /nfs/dbraw/zinc/32/36/91/409323691.db2.gz CFYJFQJKSASJBO-HUUCEWRRSA-N 1 2 319.361 1.069 20 5 DDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284336124 409323705 /nfs/dbraw/zinc/32/37/05/409323705.db2.gz CFYJFQJKSASJBO-HUUCEWRRSA-N 1 2 319.361 1.069 20 5 DDBDLO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)cc1F ZINC000316493828 164022702 /nfs/dbraw/zinc/02/27/02/164022702.db2.gz XZRSZOVCYPUAJQ-CYBMUJFWSA-N 1 2 309.341 1.640 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000346425487 164096943 /nfs/dbraw/zinc/09/69/43/164096943.db2.gz ZLYQMTRSMHWJKG-UHFFFAOYSA-N 1 2 322.756 1.689 20 5 DDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267078 410026246 /nfs/dbraw/zinc/02/62/46/410026246.db2.gz UOEICVOBXVCYIM-KGLIPLIRSA-N 1 2 311.769 1.763 20 5 DDBDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267078 410026253 /nfs/dbraw/zinc/02/62/53/410026253.db2.gz UOEICVOBXVCYIM-KGLIPLIRSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267078 410026260 /nfs/dbraw/zinc/02/62/60/410026260.db2.gz UOEICVOBXVCYIM-KGLIPLIRSA-N 1 2 311.769 1.763 20 5 DDBDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332267078 410026266 /nfs/dbraw/zinc/02/62/66/410026266.db2.gz UOEICVOBXVCYIM-KGLIPLIRSA-N 1 2 311.769 1.763 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000346690051 410087253 /nfs/dbraw/zinc/08/72/53/410087253.db2.gz RQKUFCQZLRNLSL-RULNRJAQSA-N 1 2 307.325 1.820 20 5 DDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000346690051 410087255 /nfs/dbraw/zinc/08/72/55/410087255.db2.gz RQKUFCQZLRNLSL-RULNRJAQSA-N 1 2 307.325 1.820 20 5 DDBDLO COc1cc(C[N@@H+]2CCCN(C=O)CC2)c([N+](=O)[O-])cc1F ZINC000298021857 410082647 /nfs/dbraw/zinc/08/26/47/410082647.db2.gz DUSJKMFJWMBPFV-UHFFFAOYSA-N 1 2 311.313 1.407 20 5 DDBDLO COc1cc(C[N@H+]2CCCN(C=O)CC2)c([N+](=O)[O-])cc1F ZINC000298021857 410082661 /nfs/dbraw/zinc/08/26/61/410082661.db2.gz DUSJKMFJWMBPFV-UHFFFAOYSA-N 1 2 311.313 1.407 20 5 DDBDLO C[C@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339201369 410068287 /nfs/dbraw/zinc/06/82/87/410068287.db2.gz GQJMSOCKENHBQK-SWLSCSKDSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339201369 410068291 /nfs/dbraw/zinc/06/82/91/410068291.db2.gz GQJMSOCKENHBQK-SWLSCSKDSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339201369 410068293 /nfs/dbraw/zinc/06/82/93/410068293.db2.gz GQJMSOCKENHBQK-SWLSCSKDSA-N 1 2 321.377 1.595 20 5 DDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000351760335 410214352 /nfs/dbraw/zinc/21/43/52/410214352.db2.gz UJCFVWYSFQSJFA-QPUJVOFHSA-N 1 2 313.741 1.499 20 5 DDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000351760335 410214356 /nfs/dbraw/zinc/21/43/56/410214356.db2.gz UJCFVWYSFQSJFA-QPUJVOFHSA-N 1 2 313.741 1.499 20 5 DDBDLO CNC(=O)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000351738671 410196414 /nfs/dbraw/zinc/19/64/14/410196414.db2.gz XXNNHACFPIDBOV-GFCCVEGCSA-N 1 2 301.293 1.733 20 5 DDBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330466392 410712768 /nfs/dbraw/zinc/71/27/68/410712768.db2.gz WQUWVHIEUDOXNW-MFKMUULPSA-N 1 2 308.334 1.931 20 5 DDBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330466392 410712772 /nfs/dbraw/zinc/71/27/72/410712772.db2.gz WQUWVHIEUDOXNW-MFKMUULPSA-N 1 2 308.334 1.931 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340193103 410740650 /nfs/dbraw/zinc/74/06/50/410740650.db2.gz SGMBWIRLLBJLPE-WPRPVWTQSA-N 1 2 322.287 1.606 20 5 DDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340193103 410740655 /nfs/dbraw/zinc/74/06/55/410740655.db2.gz SGMBWIRLLBJLPE-WPRPVWTQSA-N 1 2 322.287 1.606 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330617189 410830813 /nfs/dbraw/zinc/83/08/13/410830813.db2.gz FPXIQCIKHSBPGG-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330617189 410830822 /nfs/dbraw/zinc/83/08/22/410830822.db2.gz FPXIQCIKHSBPGG-LBPRGKRZSA-N 1 2 307.350 1.354 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000348301602 410910444 /nfs/dbraw/zinc/91/04/44/410910444.db2.gz KIMSIIOYXLMADS-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000348301602 410910446 /nfs/dbraw/zinc/91/04/46/410910446.db2.gz KIMSIIOYXLMADS-LLVKDONJSA-N 1 2 313.379 1.228 20 5 DDBDLO COc1cc[nH+]cc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000348331294 410922412 /nfs/dbraw/zinc/92/24/12/410922412.db2.gz VMUOHBCWWFNNGG-UHFFFAOYSA-N 1 2 302.290 1.511 20 5 DDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337672039 410934897 /nfs/dbraw/zinc/93/48/97/410934897.db2.gz WNKZTKYDUPJXPJ-ZDUSSCGKSA-N 1 2 301.306 1.105 20 5 DDBDLO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356582190 411096812 /nfs/dbraw/zinc/09/68/12/411096812.db2.gz SDZXDHFZXOKEPX-LLVKDONJSA-N 1 2 323.349 1.141 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000134426274 196390089 /nfs/dbraw/zinc/39/00/89/196390089.db2.gz RPQNLEGNTKKERK-KGLIPLIRSA-N 1 2 320.349 1.450 20 5 DDBDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000134426274 196390091 /nfs/dbraw/zinc/39/00/91/196390091.db2.gz RPQNLEGNTKKERK-KGLIPLIRSA-N 1 2 320.349 1.450 20 5 DDBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000361386253 418641553 /nfs/dbraw/zinc/64/15/53/418641553.db2.gz YHTRLGNAFBLETO-SNVBAGLBSA-N 1 2 313.741 1.907 20 5 DDBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000361386253 418641554 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C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)n1cc[nH+]c1 ZINC001321087103 867306499 /nfs/dbraw/zinc/30/64/99/867306499.db2.gz INIIWIXCNLXDFA-LLVKDONJSA-N 1 2 318.337 1.413 20 5 DDBDLO Cc1cc(N(C(N)=[NH2+])c2ccc3[nH]cc([N+](=O)[O-])c3n2)n[nH]1 ZINC001163510318 868497004 /nfs/dbraw/zinc/49/70/04/868497004.db2.gz VFDMNHZYZZYITM-UHFFFAOYSA-N 1 2 300.282 1.534 20 5 DDBDLO CCn1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC001204305768 871048536 /nfs/dbraw/zinc/04/85/36/871048536.db2.gz DVUYHXAKLMQMEU-LBPRGKRZSA-N 1 2 316.365 1.893 20 5 DDBDLO CCn1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC001204305768 871048555 /nfs/dbraw/zinc/04/85/55/871048555.db2.gz DVUYHXAKLMQMEU-LBPRGKRZSA-N 1 2 316.365 1.893 20 5 DDBDLO C[N@@H+]1CCO[C@H](COc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229402171 883963273 /nfs/dbraw/zinc/96/32/73/883963273.db2.gz IFLDJFADBLHTOA-NSHDSACASA-N 1 2 304.306 1.247 20 5 DDBDLO C[N@H+]1CCO[C@H](COc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229402171 883963286 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CCc1n[nH]c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000373047286 418924725 /nfs/dbraw/zinc/92/47/25/418924725.db2.gz QODHWZAAHQILRR-SECBINFHSA-N 1 2 304.310 1.581 20 5 DDBDLO CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000373047286 418924726 /nfs/dbraw/zinc/92/47/26/418924726.db2.gz QODHWZAAHQILRR-SECBINFHSA-N 1 2 304.310 1.581 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000420979478 419400933 /nfs/dbraw/zinc/40/09/33/419400933.db2.gz DFKJWKWRCHGEAA-GXFFZTMASA-N 1 2 320.349 1.132 20 5 DDBDLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000420979478 419400938 /nfs/dbraw/zinc/40/09/38/419400938.db2.gz DFKJWKWRCHGEAA-GXFFZTMASA-N 1 2 320.349 1.132 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421030806 419458323 /nfs/dbraw/zinc/45/83/23/419458323.db2.gz YAJGUFDATMDOOM-JQWIXIFHSA-N 1 2 323.349 1.387 20 5 DDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421030806 419458329 /nfs/dbraw/zinc/45/83/29/419458329.db2.gz YAJGUFDATMDOOM-JQWIXIFHSA-N 1 2 323.349 1.387 20 5 DDBDLO CO[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000413257402 419773090 /nfs/dbraw/zinc/77/30/90/419773090.db2.gz FJUORWKENHGYHN-OKILXGFUSA-N 1 2 303.318 1.993 20 5 DDBDLO Cc1[nH+]c[nH]c1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427977427 419781279 /nfs/dbraw/zinc/78/12/79/419781279.db2.gz YHSPVFGNUDSTRG-UHFFFAOYSA-N 1 2 316.317 1.590 20 5 DDBDLO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000299337495 229059226 /nfs/dbraw/zinc/05/92/26/229059226.db2.gz IWZGPNSWXVPRJC-UHFFFAOYSA-N 1 2 304.306 1.625 20 5 DDBDLO NCC(F)(F)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423333339 420016831 /nfs/dbraw/zinc/01/68/31/420016831.db2.gz FDVAOWYQRGWDCH-ZJUUUORDSA-N 1 2 303.313 1.459 20 5 DDBDLO NCC(F)(F)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423333337 420016885 /nfs/dbraw/zinc/01/68/85/420016885.db2.gz FDVAOWYQRGWDCH-VHSXEESVSA-N 1 2 303.313 1.459 20 5 DDBDLO C[NH+](C)CCSc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302103255 230097463 /nfs/dbraw/zinc/09/74/63/230097463.db2.gz WASIHKSPSPGVMI-UHFFFAOYSA-N 1 2 310.422 1.714 20 5 DDBDLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000440272374 420565797 /nfs/dbraw/zinc/56/57/97/420565797.db2.gz PIOUZHUYUAKLHM-SNVBAGLBSA-N 1 2 320.349 1.004 20 5 DDBDLO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000440272374 420565800 /nfs/dbraw/zinc/56/58/00/420565800.db2.gz PIOUZHUYUAKLHM-SNVBAGLBSA-N 1 2 320.349 1.004 20 5 DDBDLO Cc1nc(N)c(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000492971620 420724303 /nfs/dbraw/zinc/72/43/03/420724303.db2.gz GUTGKMKGPGILFC-SREVYHEPSA-N 1 2 313.317 1.605 20 5 DDBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449743805 421072581 /nfs/dbraw/zinc/07/25/81/421072581.db2.gz BHFMMGVBEWIAPD-LLVKDONJSA-N 1 2 312.395 1.892 20 5 DDBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449743805 421072583 /nfs/dbraw/zinc/07/25/83/421072583.db2.gz BHFMMGVBEWIAPD-LLVKDONJSA-N 1 2 312.395 1.892 20 5 DDBDLO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456363975 421151348 /nfs/dbraw/zinc/15/13/48/421151348.db2.gz FQVLFRBKIHVKPK-GWCFXTLKSA-N 1 2 316.317 1.992 20 5 DDBDLO COc1c(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000525998001 421321109 /nfs/dbraw/zinc/32/11/09/421321109.db2.gz QYSMOGBALICVEH-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1c(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000525998001 421321111 /nfs/dbraw/zinc/32/11/11/421321111.db2.gz QYSMOGBALICVEH-NSHDSACASA-N 1 2 323.349 1.054 20 5 DDBDLO COc1cc(C[N@@H+]2CCC[C@@]23CCNC3=O)c([N+](=O)[O-])cc1F ZINC000563722395 421538445 /nfs/dbraw/zinc/53/84/45/421538445.db2.gz FZXJWPKQAMTBLC-HNNXBMFYSA-N 1 2 323.324 1.597 20 5 DDBDLO COc1cc(C[N@H+]2CCC[C@@]23CCNC3=O)c([N+](=O)[O-])cc1F ZINC000563722395 421538446 /nfs/dbraw/zinc/53/84/46/421538446.db2.gz FZXJWPKQAMTBLC-HNNXBMFYSA-N 1 2 323.324 1.597 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000520777386 421762877 /nfs/dbraw/zinc/76/28/77/421762877.db2.gz JOCVQUSCWQUFPB-GFCCVEGCSA-N 1 2 304.306 1.956 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000520777386 421762881 /nfs/dbraw/zinc/76/28/81/421762881.db2.gz JOCVQUSCWQUFPB-GFCCVEGCSA-N 1 2 304.306 1.956 20 5 DDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000279396743 279316355 /nfs/dbraw/zinc/31/63/55/279316355.db2.gz VTFKBPUXXVCBBU-SNVBAGLBSA-N 1 2 313.379 1.449 20 5 DDBDLO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000331235520 280007356 /nfs/dbraw/zinc/00/73/56/280007356.db2.gz LTVFOJWFZCCPEC-ZDUSSCGKSA-N 1 2 307.350 1.713 20 5 DDBDLO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000331235520 280007360 /nfs/dbraw/zinc/00/73/60/280007360.db2.gz LTVFOJWFZCCPEC-ZDUSSCGKSA-N 1 2 307.350 1.713 20 5 DDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000067541017 280929728 /nfs/dbraw/zinc/92/97/28/280929728.db2.gz YKDSIJGQBKLIOY-UHFFFAOYSA-N 1 2 304.306 1.609 20 5 DDBDLO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436973712 289106811 /nfs/dbraw/zinc/10/68/11/289106811.db2.gz UPQSLRQBRVPYSB-UHFFFAOYSA-N 1 2 307.350 1.714 20 5 DDBDLO Cn1c[nH+]cc1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573511070 304598409 /nfs/dbraw/zinc/59/84/09/304598409.db2.gz QZSOHWVXZPDJFZ-UHFFFAOYSA-N 1 2 324.287 1.508 20 5 DDBDLO C[NH+]1CCC(Oc2cc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])ccn2)CC1 ZINC000364174335 300353613 /nfs/dbraw/zinc/35/36/13/300353613.db2.gz UXVIKTFDKCUKBA-OLZOCXBDSA-N 1 2 320.349 1.158 20 5 DDBDLO COc1ccc(OCC[NH+]2CC(O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000368473909 301035997 /nfs/dbraw/zinc/03/59/97/301035997.db2.gz LASZAOKALBHTHF-UHFFFAOYSA-N 1 2 308.334 1.439 20 5 DDBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000369358520 301171422 /nfs/dbraw/zinc/17/14/22/301171422.db2.gz NDBLYIIDFOWHBP-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000369358520 301171425 /nfs/dbraw/zinc/17/14/25/301171425.db2.gz NDBLYIIDFOWHBP-LAJNKCICSA-N 1 2 312.391 1.817 20 5 DDBDLO Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])[nH+]1 ZINC000377718082 302218493 /nfs/dbraw/zinc/21/84/93/302218493.db2.gz JFPUNWWYLPMSHE-AVGNSLFASA-N 1 2 304.350 1.458 20 5 DDBDLO CCc1nn(C)c(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000378057798 302271157 /nfs/dbraw/zinc/27/11/57/302271157.db2.gz NELZGCOPRKQSEW-DGCLKSJQSA-N 1 2 323.397 1.190 20 5 DDBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@](O)(C(F)F)C3)nc2c1 ZINC000451422584 302399204 /nfs/dbraw/zinc/39/92/04/302399204.db2.gz DAEXBLWDQOLUDD-CYBMUJFWSA-N 1 2 313.260 1.938 20 5 DDBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@](O)(C(F)F)C3)nc2c1 ZINC000451422584 302399206 /nfs/dbraw/zinc/39/92/06/302399206.db2.gz DAEXBLWDQOLUDD-CYBMUJFWSA-N 1 2 313.260 1.938 20 5 DDBDLO Cc1cc(C)n([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363449663 307028174 /nfs/dbraw/zinc/02/81/74/307028174.db2.gz MGQUMJWASIZPQF-ZDUSSCGKSA-N 1 2 318.381 1.979 20 5 DDBDLO Cc1cc(C)n([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363449663 307028175 /nfs/dbraw/zinc/02/81/75/307028175.db2.gz MGQUMJWASIZPQF-ZDUSSCGKSA-N 1 2 318.381 1.979 20 5 DDBDLO O=C(CCc1[nH]cc[nH+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554495958 307832534 /nfs/dbraw/zinc/83/25/34/307832534.db2.gz XOKWYVPCPGLLIX-UHFFFAOYSA-N 1 2 304.306 1.446 20 5 DDBDLO O=C(NCc1ccno1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538649587 490296588 /nfs/dbraw/zinc/29/65/88/490296588.db2.gz HWLNPSIWKCQHHO-UHFFFAOYSA-N 1 2 313.273 1.699 20 5 DDBDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459495411 528420431 /nfs/dbraw/zinc/42/04/31/528420431.db2.gz MJTDMXSXGLRNLZ-GFCCVEGCSA-N 1 2 321.381 1.027 20 5 DDBDLO CCN(CCOCCO)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413288793 528571713 /nfs/dbraw/zinc/57/17/13/528571713.db2.gz WQTPWIDPZZFLAO-UHFFFAOYSA-N 1 2 305.334 1.978 20 5 DDBDLO CCOC(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298132095 528697632 /nfs/dbraw/zinc/69/76/32/528697632.db2.gz QBJMSHSQBLEGRP-UHFFFAOYSA-N 1 2 322.365 1.455 20 5 DDBDLO C[N@H+](CC(=O)NCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000015305429 696057592 /nfs/dbraw/zinc/05/75/92/696057592.db2.gz OYAWEUUESUMQQO-UHFFFAOYSA-N 1 2 303.318 1.936 20 5 DDBDLO C[N@@H+](CC(=O)NCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000015305429 696057595 /nfs/dbraw/zinc/05/75/95/696057595.db2.gz OYAWEUUESUMQQO-UHFFFAOYSA-N 1 2 303.318 1.936 20 5 DDBDLO CCN1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000787326268 699206323 /nfs/dbraw/zinc/20/63/23/699206323.db2.gz YKOWRRWMRHOLBM-CQSZACIVSA-N 1 2 307.350 1.182 20 5 DDBDLO CCN1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000787326268 699206326 /nfs/dbraw/zinc/20/63/26/699206326.db2.gz YKOWRRWMRHOLBM-CQSZACIVSA-N 1 2 307.350 1.182 20 5 DDBDLO C[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000712532664 699263996 /nfs/dbraw/zinc/26/39/96/699263996.db2.gz 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O=C(Cc1[nH]cc[nH+]1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110207165 778580536 /nfs/dbraw/zinc/58/05/36/778580536.db2.gz RIEHJQUKYKEQCQ-UHFFFAOYSA-N 1 2 315.333 1.621 20 5 DDBDLO CN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001095746263 855287849 /nfs/dbraw/zinc/28/78/49/855287849.db2.gz KJCJERIMWHAYMR-UHFFFAOYSA-N 1 2 317.349 1.503 20 5 DDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001332319063 865756434 /nfs/dbraw/zinc/75/64/34/865756434.db2.gz UWBKZTIINCGDGW-NSHDSACASA-N 1 2 324.356 1.800 20 5 DDBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001332319063 865756441 /nfs/dbraw/zinc/75/64/41/865756441.db2.gz UWBKZTIINCGDGW-NSHDSACASA-N 1 2 324.356 1.800 20 5 DDBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[NH2+]1 ZINC001164302379 869104421 /nfs/dbraw/zinc/10/44/21/869104421.db2.gz SLMIUOXJYPYOFC-GWCFXTLKSA-N 1 2 316.317 1.458 20 5 DDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001298231519 870379096 /nfs/dbraw/zinc/37/90/96/870379096.db2.gz KOKZIZVDBISGLB-SECBINFHSA-N 1 2 311.301 1.627 20 5 DDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001302093134 871042065 /nfs/dbraw/zinc/04/20/65/871042065.db2.gz RIDGAYGNIQJPAQ-UHFFFAOYSA-N 1 2 313.317 1.353 20 5 DDBDLO O=C(NC1C[NH+](CC/C=C\c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001318019900 871691189 /nfs/dbraw/zinc/69/11/89/871691189.db2.gz GTXNFBLIJADOAC-COXDATCZSA-N 1 2 315.373 1.556 20 5 DDBDLO Cc1cc(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001345953502 873571160 /nfs/dbraw/zinc/57/11/60/873571160.db2.gz KAUDPJISNIWOTG-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001345953502 873571166 /nfs/dbraw/zinc/57/11/66/873571166.db2.gz KAUDPJISNIWOTG-LBPRGKRZSA-N 1 2 322.365 1.745 20 5 DDBDLO C[C@@H]1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001218043246 877381896 /nfs/dbraw/zinc/38/18/96/877381896.db2.gz GSTXCERMHPARBY-PRHODGIISA-N 1 2 304.306 1.620 20 5 DDBDLO COC(=O)[C@@H](OC1C[NH+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223643935 881040887 /nfs/dbraw/zinc/04/08/87/881040887.db2.gz QYEZFUUWPONYMC-AWEZNQCLSA-N 1 2 308.334 1.918 20 5 DDBDLO CC(=O)c1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001233495684 887040773 /nfs/dbraw/zinc/04/07/73/887040773.db2.gz JVSLKTCKFMFMJX-JQAFLVLXSA-N 1 2 318.329 1.980 20 5 DDBDLO CC(=O)c1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ccc1[N+](=O)[O-] ZINC001233495684 887040776 /nfs/dbraw/zinc/04/07/76/887040776.db2.gz JVSLKTCKFMFMJX-JQAFLVLXSA-N 1 2 318.329 1.980 20 5 DDBDLO O=C(C[N@H+]1CC[C@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451440211 231095272 /nfs/dbraw/zinc/09/52/72/231095272.db2.gz WSAVAIUKIQFJHH-CYBMUJFWSA-N 1 2 315.276 1.235 20 5 DDBDLO O=C(C[N@@H+]1CC[C@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451440211 231095274 /nfs/dbraw/zinc/09/52/74/231095274.db2.gz WSAVAIUKIQFJHH-CYBMUJFWSA-N 1 2 315.276 1.235 20 5 DDBDLO O=C1CCN(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278777558 214395042 /nfs/dbraw/zinc/39/50/42/214395042.db2.gz VIENUFOCCFKBQV-UHFFFAOYSA-N 1 2 303.322 1.183 20 5 DDBDLO CN(C)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285392338 282333034 /nfs/dbraw/zinc/33/30/34/282333034.db2.gz SOHYMYRPRBRATF-UHFFFAOYSA-N 1 2 305.338 1.718 20 5 DDBDLO CN(C)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285392338 282333036 /nfs/dbraw/zinc/33/30/36/282333036.db2.gz SOHYMYRPRBRATF-UHFFFAOYSA-N 1 2 305.338 1.718 20 5 DDBDLO C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000458614860 232554109 /nfs/dbraw/zinc/55/41/09/232554109.db2.gz HUYPTPVQWZAQBH-LLVKDONJSA-N 1 2 317.349 1.931 20 5 DDBDLO CNc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000047161869 352484122 /nfs/dbraw/zinc/48/41/22/352484122.db2.gz LPEHCVWILYEKDC-LLVKDONJSA-N 1 2 322.365 1.087 20 5 DDBDLO Cn1ncc2c1nc[nH+]c2N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337786726 282850888 /nfs/dbraw/zinc/85/08/88/282850888.db2.gz BTOISFYLXWHFKO-UHFFFAOYSA-N 1 2 310.317 1.834 20 5 DDBDLO CN(Cc1[nH+]ccn1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000061512563 352889860 /nfs/dbraw/zinc/88/98/60/352889860.db2.gz PEYVRONQYJSUIV-UHFFFAOYSA-N 1 2 304.306 1.366 20 5 DDBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC000492060025 234373516 /nfs/dbraw/zinc/37/35/16/234373516.db2.gz VBDYSCJUVROHAY-DUXPYHPUSA-N 1 2 304.281 1.829 20 5 DDBDLO Nc1c(C(=O)NCCNc2cccc[nH+]2)cc(F)cc1[N+](=O)[O-] ZINC000076961069 353445096 /nfs/dbraw/zinc/44/50/96/353445096.db2.gz NOJSCDBKOFDYHG-UHFFFAOYSA-N 1 2 319.296 1.553 20 5 DDBDLO Nc1nc(NC2CCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000076772150 353437775 /nfs/dbraw/zinc/43/77/75/353437775.db2.gz MYVLMIXVJMJKJQ-UHFFFAOYSA-N 1 2 315.337 1.443 20 5 DDBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601292338 358481156 /nfs/dbraw/zinc/48/11/56/358481156.db2.gz UXNWDHYIXCEZCB-LNSITVRQSA-N 1 2 316.361 1.778 20 5 DDBDLO Cc1cn2c([nH+]1)CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000588014687 354893830 /nfs/dbraw/zinc/89/38/30/354893830.db2.gz JLLZEJMKMZMWGW-UHFFFAOYSA-N 1 2 303.322 1.194 20 5 DDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1Cc2c[nH]nc2C1 ZINC000590392021 355084055 /nfs/dbraw/zinc/08/40/55/355084055.db2.gz KOPTWRDVHKVEFL-UHFFFAOYSA-N 1 2 324.300 1.660 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590553133 355111890 /nfs/dbraw/zinc/11/18/90/355111890.db2.gz VMAUXGKEPAWPMM-UHFFFAOYSA-N 1 2 316.317 1.915 20 5 DDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590553133 355111894 /nfs/dbraw/zinc/11/18/94/355111894.db2.gz VMAUXGKEPAWPMM-UHFFFAOYSA-N 1 2 316.317 1.915 20 5 DDBDLO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000590568113 355115848 /nfs/dbraw/zinc/11/58/48/355115848.db2.gz QSHQIMSBJJFYRB-SSDOTTSWSA-N 1 2 311.323 1.138 20 5 DDBDLO O=C(N1CCCC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000591555591 355326959 /nfs/dbraw/zinc/32/69/59/355326959.db2.gz MRXRLMBJIYBVQO-UHFFFAOYSA-N 1 2 318.377 1.928 20 5 DDBDLO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000592486844 355597000 /nfs/dbraw/zinc/59/70/00/355597000.db2.gz MQPDYXPYSUXHBQ-FZMZJTMJSA-N 1 2 324.356 1.189 20 5 DDBDLO CCOc1cc(C[N@H+](C)CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000276962103 213206804 /nfs/dbraw/zinc/20/68/04/213206804.db2.gz VQRYOAZRKMREED-UHFFFAOYSA-N 1 2 309.366 1.950 20 5 DDBDLO CCOc1cc(C[N@@H+](C)CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000276962103 213206807 /nfs/dbraw/zinc/20/68/07/213206807.db2.gz VQRYOAZRKMREED-UHFFFAOYSA-N 1 2 309.366 1.950 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593098335 355795585 /nfs/dbraw/zinc/79/55/85/355795585.db2.gz CYPQSFOYHHPGEB-YEZLUTFDSA-N 1 2 324.358 1.087 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593098335 355795588 /nfs/dbraw/zinc/79/55/88/355795588.db2.gz CYPQSFOYHHPGEB-YEZLUTFDSA-N 1 2 324.358 1.087 20 5 DDBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)c(C)c1 ZINC000594597553 356259846 /nfs/dbraw/zinc/25/98/46/356259846.db2.gz XEBKQWOVOMDOTL-UHFFFAOYSA-N 1 2 315.333 1.755 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595496821 356518964 /nfs/dbraw/zinc/51/89/64/356518964.db2.gz IXNVZGKAHUJHOP-JTQLQIEISA-N 1 2 321.312 1.937 20 5 DDBDLO CO[C@@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595659859 356595689 /nfs/dbraw/zinc/59/56/89/356595689.db2.gz QNCFIOZMWJTELE-HNNXBMFYSA-N 1 2 320.349 1.444 20 5 DDBDLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595659859 356595692 /nfs/dbraw/zinc/59/56/92/356595692.db2.gz QNCFIOZMWJTELE-HNNXBMFYSA-N 1 2 320.349 1.444 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595735771 356628438 /nfs/dbraw/zinc/62/84/38/356628438.db2.gz CMPHLYPTVZKTMD-CYBMUJFWSA-N 1 2 323.349 1.189 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595735771 356628440 /nfs/dbraw/zinc/62/84/40/356628440.db2.gz CMPHLYPTVZKTMD-CYBMUJFWSA-N 1 2 323.349 1.189 20 5 DDBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](CC(F)(F)F)O1 ZINC000595891937 356694048 /nfs/dbraw/zinc/69/40/48/356694048.db2.gz RHKCILGJQIOLSF-ZJUUUORDSA-N 1 2 322.287 1.833 20 5 DDBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](CC(F)(F)F)O1 ZINC000595891937 356694054 /nfs/dbraw/zinc/69/40/54/356694054.db2.gz RHKCILGJQIOLSF-ZJUUUORDSA-N 1 2 322.287 1.833 20 5 DDBDLO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000597709784 357296432 /nfs/dbraw/zinc/29/64/32/357296432.db2.gz BUOQGKMFXXWBGH-INIZCTEOSA-N 1 2 319.361 1.858 20 5 DDBDLO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000597709784 357296435 /nfs/dbraw/zinc/29/64/35/357296435.db2.gz BUOQGKMFXXWBGH-INIZCTEOSA-N 1 2 319.361 1.858 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084756 357810426 /nfs/dbraw/zinc/81/04/26/357810426.db2.gz XCXXTGXTWZQUGK-YPMHNXCESA-N 1 2 307.350 1.540 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084756 357810428 /nfs/dbraw/zinc/81/04/28/357810428.db2.gz XCXXTGXTWZQUGK-YPMHNXCESA-N 1 2 307.350 1.540 20 5 DDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1COC1 ZINC000599179605 357841901 /nfs/dbraw/zinc/84/19/01/357841901.db2.gz YTDJZMLLNRACRV-UHFFFAOYSA-N 1 2 307.350 1.485 20 5 DDBDLO CCOC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000599620888 357995743 /nfs/dbraw/zinc/99/57/43/357995743.db2.gz WWKWUXDEJAJTCA-CYBMUJFWSA-N 1 2 310.350 1.711 20 5 DDBDLO CCOC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000599620888 357995744 /nfs/dbraw/zinc/99/57/44/357995744.db2.gz WWKWUXDEJAJTCA-CYBMUJFWSA-N 1 2 310.350 1.711 20 5 DDBDLO COc1cccc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000599643871 358003902 /nfs/dbraw/zinc/00/39/02/358003902.db2.gz HWJMNRGORBFDET-ZDUSSCGKSA-N 1 2 318.333 1.177 20 5 DDBDLO COc1cccc2c1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000599643871 358003906 /nfs/dbraw/zinc/00/39/06/358003906.db2.gz HWJMNRGORBFDET-ZDUSSCGKSA-N 1 2 318.333 1.177 20 5 DDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600420817 358216005 /nfs/dbraw/zinc/21/60/05/358216005.db2.gz LBMBPKNXDAVPOH-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600420817 358216006 /nfs/dbraw/zinc/21/60/06/358216006.db2.gz LBMBPKNXDAVPOH-LLVKDONJSA-N 1 2 318.333 1.137 20 5 DDBDLO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])cc(OC)c2=O)c1 ZINC000603358424 359590904 /nfs/dbraw/zinc/59/09/04/359590904.db2.gz JELZZSHJYSOSTI-UHFFFAOYSA-N 1 2 305.290 1.525 20 5 DDBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000188791220 200304019 /nfs/dbraw/zinc/30/40/19/200304019.db2.gz JYZXAIQXOIWFPC-UONOGXRCSA-N 1 2 308.334 1.402 20 5 DDBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000188791220 200304020 /nfs/dbraw/zinc/30/40/20/200304020.db2.gz JYZXAIQXOIWFPC-UONOGXRCSA-N 1 2 308.334 1.402 20 5 DDBDLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611191074 360654399 /nfs/dbraw/zinc/65/43/99/360654399.db2.gz GPCRUECVNAADMM-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611191074 360654408 /nfs/dbraw/zinc/65/44/08/360654408.db2.gz GPCRUECVNAADMM-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO CN(Cc1[nH]cc[nH+]1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611191074 360654413 /nfs/dbraw/zinc/65/44/13/360654413.db2.gz GPCRUECVNAADMM-GFCCVEGCSA-N 1 2 306.322 1.190 20 5 DDBDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205022 360659296 /nfs/dbraw/zinc/65/92/96/360659296.db2.gz NTBJKJXSWPXLGQ-LLVKDONJSA-N 1 2 322.365 1.332 20 5 DDBDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205022 360659300 /nfs/dbraw/zinc/65/93/00/360659300.db2.gz NTBJKJXSWPXLGQ-LLVKDONJSA-N 1 2 322.365 1.332 20 5 DDBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCSC[C@@H]3CO)nc2c1 ZINC000612114417 360923882 /nfs/dbraw/zinc/92/38/82/360923882.db2.gz FLCFJRAKJYFGRP-JTQLQIEISA-N 1 2 309.347 1.646 20 5 DDBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCSC[C@@H]3CO)nc2c1 ZINC000612114417 360923886 /nfs/dbraw/zinc/92/38/86/360923886.db2.gz FLCFJRAKJYFGRP-JTQLQIEISA-N 1 2 309.347 1.646 20 5 DDBDLO CC(=O)NCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000566248097 304133495 /nfs/dbraw/zinc/13/34/95/304133495.db2.gz LYIPTUNZDQCULD-UHFFFAOYSA-N 1 2 317.292 1.764 20 5 DDBDLO CC(=O)NCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000566248097 304133496 /nfs/dbraw/zinc/13/34/96/304133496.db2.gz LYIPTUNZDQCULD-UHFFFAOYSA-N 1 2 317.292 1.764 20 5 DDBDLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534884 193266125 /nfs/dbraw/zinc/26/61/25/193266125.db2.gz BWRWCAWEZPUBBM-LBPRGKRZSA-N 1 2 302.338 1.708 20 5 DDBDLO Cc1[nH]ncc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534884 193266126 /nfs/dbraw/zinc/26/61/26/193266126.db2.gz BWRWCAWEZPUBBM-LBPRGKRZSA-N 1 2 302.338 1.708 20 5 DDBDLO Cc1[nH+]ccn1CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000350684439 284242779 /nfs/dbraw/zinc/24/27/79/284242779.db2.gz YOPHZJXFFDTMEB-UHFFFAOYSA-N 1 2 304.306 1.625 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000264654994 204057757 /nfs/dbraw/zinc/05/77/57/204057757.db2.gz PRIQNDJQIGQCBE-ZDUSSCGKSA-N 1 2 321.381 1.271 20 5 DDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000264654994 204057760 /nfs/dbraw/zinc/05/77/60/204057760.db2.gz PRIQNDJQIGQCBE-ZDUSSCGKSA-N 1 2 321.381 1.271 20 5 DDBDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171695482 248323669 /nfs/dbraw/zinc/32/36/69/248323669.db2.gz MBGUSHLCWKTXSC-LLVKDONJSA-N 1 2 309.391 1.995 20 5 DDBDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171695482 248323673 /nfs/dbraw/zinc/32/36/73/248323673.db2.gz MBGUSHLCWKTXSC-LLVKDONJSA-N 1 2 309.391 1.995 20 5 DDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)n1 ZINC000338880737 250178414 /nfs/dbraw/zinc/17/84/14/250178414.db2.gz PVVAESVVEDWGBE-JTQLQIEISA-N 1 2 306.326 1.661 20 5 DDBDLO Cn1c[nH+]cc1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000339182996 250332683 /nfs/dbraw/zinc/33/26/83/250332683.db2.gz VNXXJXGYKZEUIB-UHFFFAOYSA-N 1 2 301.262 1.193 20 5 DDBDLO O=C([C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000339198966 250339744 /nfs/dbraw/zinc/33/97/44/250339744.db2.gz LQSCYYBANSSQFD-GFCCVEGCSA-N 1 2 319.361 1.745 20 5 DDBDLO O=C([C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000339198966 250339748 /nfs/dbraw/zinc/33/97/48/250339748.db2.gz LQSCYYBANSSQFD-GFCCVEGCSA-N 1 2 319.361 1.745 20 5 DDBDLO CC(=O)c1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285066042 218277432 /nfs/dbraw/zinc/27/74/32/218277432.db2.gz PACJUJITKXJTST-HZPDHXFCSA-N 1 2 319.361 1.707 20 5 DDBDLO CC(=O)c1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285066042 218277434 /nfs/dbraw/zinc/27/74/34/218277434.db2.gz PACJUJITKXJTST-HZPDHXFCSA-N 1 2 319.361 1.707 20 5 DDBDLO C[C@@H](CCO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268900118 207069694 /nfs/dbraw/zinc/06/96/94/207069694.db2.gz YKEUPJQCMOQMJC-JTQLQIEISA-N 1 2 304.306 1.281 20 5 DDBDLO CO[C@H]1C[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1OC ZINC000352420261 285038496 /nfs/dbraw/zinc/03/84/96/285038496.db2.gz ASKAGQNCSHRRJL-STQMWFEESA-N 1 2 302.277 1.719 20 5 DDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000273175542 285174445 /nfs/dbraw/zinc/17/44/45/285174445.db2.gz NDALKHFRRRIXKP-UHFFFAOYSA-N 1 2 300.322 1.102 20 5 DDBDLO C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000271432346 208908912 /nfs/dbraw/zinc/90/89/12/208908912.db2.gz RZRAOEBMHKNWRB-QWRGUYRKSA-N 1 2 318.337 1.248 20 5 DDBDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000352703978 285241058 /nfs/dbraw/zinc/24/10/58/285241058.db2.gz ZSMXFSIMZRDYLT-OAHLLOKOSA-N 1 2 321.377 1.664 20 5 DDBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000360494073 299678302 /nfs/dbraw/zinc/67/83/02/299678302.db2.gz AWQVWWUKUSPUIZ-NSHDSACASA-N 1 2 324.362 1.406 20 5 DDBDLO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000568990362 304327786 /nfs/dbraw/zinc/32/77/86/304327786.db2.gz BLFPOJMAFNZJKR-VHSXEESVSA-N 1 2 324.362 1.537 20 5 DDBDLO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339112262 286501582 /nfs/dbraw/zinc/50/15/82/286501582.db2.gz JFYRKCQRVWUVKA-HOCLYGCPSA-N 1 2 324.377 1.956 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1C ZINC000075637187 406938585 /nfs/dbraw/zinc/93/85/85/406938585.db2.gz HCXWIMRLDLYUCU-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1C ZINC000075637187 406938586 /nfs/dbraw/zinc/93/85/86/406938586.db2.gz HCXWIMRLDLYUCU-LLVKDONJSA-N 1 2 320.349 1.052 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079722034 407061560 /nfs/dbraw/zinc/06/15/60/407061560.db2.gz YZWGSUZRBHATIO-UHFFFAOYSA-N 1 2 318.337 1.224 20 5 DDBDLO Cc1nc([N+](=O)[O-])c(Br)n1Cc1[nH+]ccn1C ZINC000102201803 407321158 /nfs/dbraw/zinc/32/11/58/407321158.db2.gz VQBWPCVSQIMBDV-UHFFFAOYSA-N 1 2 300.116 1.644 20 5 DDBDLO O=C1[C@@H]([NH+]2CCSCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067377346 407272130 /nfs/dbraw/zinc/27/21/30/407272130.db2.gz KLUSLNCLGXBDBF-ZDUSSCGKSA-N 1 2 307.375 1.749 20 5 DDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccc(N)[nH+]c2)c1 ZINC000127114551 407428368 /nfs/dbraw/zinc/42/83/68/407428368.db2.gz UBOYHUGSROUXCQ-UHFFFAOYSA-N 1 2 316.317 1.995 20 5 DDBDLO Cc1cc([N+](=O)[O-])cn(Cc2ccc(-n3cc[nH+]c3)nc2)c1=O ZINC000127240578 407431717 /nfs/dbraw/zinc/43/17/17/407431717.db2.gz BLSZZWUUNQRWAI-UHFFFAOYSA-N 1 2 311.301 1.694 20 5 DDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170875203 407541823 /nfs/dbraw/zinc/54/18/23/407541823.db2.gz FTQDSIUBVOOGHL-UHFFFAOYSA-N 1 2 322.365 1.827 20 5 DDBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170875203 407541828 /nfs/dbraw/zinc/54/18/28/407541828.db2.gz FTQDSIUBVOOGHL-UHFFFAOYSA-N 1 2 322.365 1.827 20 5 DDBDLO COC(=O)C1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000271343958 407645320 /nfs/dbraw/zinc/64/53/20/407645320.db2.gz GNLDWBOEVOUIJU-UHFFFAOYSA-N 1 2 324.333 1.103 20 5 DDBDLO Cn1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000267051063 407729721 /nfs/dbraw/zinc/72/97/21/407729721.db2.gz QTSFECIIEUSTAW-UHFFFAOYSA-N 1 2 319.340 1.790 20 5 DDBDLO COCCCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153030498 407737159 /nfs/dbraw/zinc/73/71/59/407737159.db2.gz LTWRASJZAPJYEF-LBPRGKRZSA-N 1 2 321.377 1.494 20 5 DDBDLO COCCCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153030498 407737164 /nfs/dbraw/zinc/73/71/64/407737164.db2.gz LTWRASJZAPJYEF-LBPRGKRZSA-N 1 2 321.377 1.494 20 5 DDBDLO CC(C)C[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269306207 408262877 /nfs/dbraw/zinc/26/28/77/408262877.db2.gz WWPYQPWKKMLHIA-UHFFFAOYSA-N 1 2 307.350 1.714 20 5 DDBDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000183383664 408394306 /nfs/dbraw/zinc/39/43/06/408394306.db2.gz IBGYEDBFEAFCDQ-UHFFFAOYSA-N 1 2 300.380 1.770 20 5 DDBDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000183383664 408394312 /nfs/dbraw/zinc/39/43/12/408394312.db2.gz IBGYEDBFEAFCDQ-UHFFFAOYSA-N 1 2 300.380 1.770 20 5 DDBDLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000183709045 408473789 /nfs/dbraw/zinc/47/37/89/408473789.db2.gz VMNQLRROVBIHRT-BPNCWPANSA-N 1 2 310.350 1.806 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249556416 408741642 /nfs/dbraw/zinc/74/16/42/408741642.db2.gz JWEZSJMTRDIBKE-UHIISALHSA-N 1 2 307.350 1.625 20 5 DDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249556416 408741646 /nfs/dbraw/zinc/74/16/46/408741646.db2.gz JWEZSJMTRDIBKE-UHIISALHSA-N 1 2 307.350 1.625 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285789468 408864371 /nfs/dbraw/zinc/86/43/71/408864371.db2.gz FIVCUKXUOFYNDI-ZIAGYGMSSA-N 1 2 310.350 1.574 20 5 DDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285789468 408864373 /nfs/dbraw/zinc/86/43/73/408864373.db2.gz FIVCUKXUOFYNDI-ZIAGYGMSSA-N 1 2 310.350 1.574 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000283889580 409234072 /nfs/dbraw/zinc/23/40/72/409234072.db2.gz FEBXMYXOJNRYJX-LBPRGKRZSA-N 1 2 318.333 1.693 20 5 DDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000283889580 409234074 /nfs/dbraw/zinc/23/40/74/409234074.db2.gz FEBXMYXOJNRYJX-LBPRGKRZSA-N 1 2 318.333 1.693 20 5 DDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000294362432 409286439 /nfs/dbraw/zinc/28/64/39/409286439.db2.gz ZYNMACCAAZQGIU-QWRGUYRKSA-N 1 2 306.240 1.151 20 5 DDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000353876106 409530737 /nfs/dbraw/zinc/53/07/37/409530737.db2.gz PHIUHBOKVSQIQF-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000353876106 409530748 /nfs/dbraw/zinc/53/07/48/409530748.db2.gz PHIUHBOKVSQIQF-LBPRGKRZSA-N 1 2 322.365 1.595 20 5 DDBDLO Cn1c(C(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000345610669 409711988 /nfs/dbraw/zinc/71/19/88/409711988.db2.gz MSIXJYPCODDGOO-UHFFFAOYSA-N 1 2 317.349 1.439 20 5 DDBDLO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccon1 ZINC000349242313 409761592 /nfs/dbraw/zinc/76/15/92/409761592.db2.gz OUKCXOIFKHYLHX-SNVBAGLBSA-N 1 2 316.317 1.823 20 5 DDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331632594 409714453 /nfs/dbraw/zinc/71/44/53/409714453.db2.gz PULUXZJETUDOKO-SNVBAGLBSA-N 1 2 304.310 1.187 20 5 DDBDLO Cc1ccc[nH+]c1CCc1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000351131264 410040545 /nfs/dbraw/zinc/04/05/45/410040545.db2.gz OSEDMJMSIAHJJC-UHFFFAOYSA-N 1 2 314.305 1.867 20 5 DDBDLO 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